elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1
value | cross_compatibility bool 1
class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Cd",
"Fe",
"Hg"
] | 4 | A2BC | CdFeHg2 | Cd1 Fe1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.401648,
3.401648
],
[
3.401648,
0,
3.401648
],
[
3.401648,
3.401648,
0
]
] | oqmd-3898913 | [
[
3.40166,
3.40166,
3.401659999999997
],
[
1.7008300000000018,
1.7008300000000018,
1.7008300000000018
],
[
0,
0,
0
],
[
5.10246,
5.10246,
5.102459999999996
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Hg", "attached"... | [
"Cd",
"Fe",
"Hg",
"Hg"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
10.1204,
-0.00471,
-0.00471
],
[
-0.00471,
10.1204,
-0.00471
],
[
-0.00471,
-0.00471,
10.1204
]
] | -8.01572 | [
0,
0,
0,
0
] | [
[
0.000292,
0.000292,
0.000292
],
[
-0.000045,
-0.000045,
-0.000045
],
[
-0.000359,
-0.000359,
-0.000359
],
[
0.000111,
0.000111,
0.000111
]
] | 2.76797 | null | pbe | true | 9cfd42e2a8e97258cd0abeb4cdd0c906_216_Cd1Fe1Hg2 |
[
"Cd",
"Fe",
"Y"
] | 4 | A2BC | CdFe2Y | Y1 Cd1 Fe2 | 3 | [
1,
1,
1
] | 3 | [
[
4.66108386,
0,
0
],
[
2.33054193,
4.03661703,
0
],
[
2.33054193,
1.34553901,
3.80575903
]
] | agm002149842 | [
[
6.99162579,
4.03661703,
2.8543192724999997
],
[
0,
0,
0
],
[
4.66108386,
2.69107802,
1.902879515
],
[
2.33054193,
1.34553901,
0.9514397575
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Fe",
"Fe",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
10.323693,
0,
0
],
[
0,
10.323693,
0
],
[
0,
0,
10.323693
]
] | -23.078061 | [
-0.337,
2.503,
2.503,
-0.062
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.33857 | 5.516197 | pbe | true | 2f0df63b05a5b8f6baff2d7937d0f496_225_Y1Cd1Fe2 |
[
"Ge",
"Ho",
"Pd"
] | 16 | A2BC | Ge2HoPd | Ho4 Ge8 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
5.86719756,
0,
0
],
[
0,
6.5545091,
0
],
[
0,
0,
7.97415386
]
] | agm005678715 | [
[
2.0853696386582894,
1.638627275,
0.187920903403225
],
[
5.0189684186582895,
4.915881825,
3.799156026596775
],
[
3.7818279213417108,
4.915881825,
7.786232956596775
],
[
0.8482291413417108,
1.638627275,
4.174997833403225
],
[
5.2777592380105744,
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pd", "attached"... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.1775985,
0,
0
],
[
0,
4.156412,
0
],
[
0,
0,
4.1485653
]
] | -86.944053 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00389146,
0,
-0.00187654
],
[
0.00389146,
0,
0.00187654
],
[
-0.00389146,
0,
0.00187654
],
[
-0.00389146,
0,
-0.00187654
],
[
0.00026779,
-0.00111065,
0.00448339
],
[
0.00026779,
0.00111065,
-0.00448339
],
[
-0.0... | 0 | 2.849365 | pbe | true | 572e1c17f51406c6e2731a5d11b36959_62_Ho4Ge8Pd4 |
[
"Hg",
"Ho",
"Pm"
] | 4 | A2BC | HgHo2Pm | Pm1 Ho2 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
4.80388891,
0,
0
],
[
0,
4.84072208,
0
],
[
0,
0,
4.84072208
]
] | agm001219936 | [
[
2.401944455,
2.42036104,
2.42036104
],
[
2.401944455,
0,
0
],
[
0,
0,
2.42036104
],
[
0,
2.42036104,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Hg",
"Ho",
"Ho"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.512958,
0,
0
],
[
0,
1.1678085,
0
],
[
0,
0,
1.1678085
]
] | -14.830101 | [
0.106,
0,
0.108,
0.108
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.422759 | 5.293303 | pbe | true | d5e2f2030ebb62328b27d8c821bcaf3c_123_Pm1Ho2Hg1 |
[
"K",
"O",
"S",
"W"
] | 88 | A14B4C3D | K4O14S3W | K16 O56 S12 W4 | 4 | [
1,
1,
1
] | 3 | [
[
9.6599101,
-0.01966284,
0
],
[
-0.20124792,
10.45823232,
0
],
[
0,
0,
14.28222005
]
] | mp-559294 | [
[
4.850805655215001,
2.0832918712068866,
7.217957652312032
],
[
1.6884268052839788,
1.7254939406404728,
9.628700420233297
],
[
7.218949313681178,
2.378016371051945,
11.145427629016739
],
[
7.170291876318821,
2.8216055289480555,
4.004317604016741
],
[
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": nul... | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"W",
"W",
"W",
"W",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"... | 2014-02-23 13:24:32 | [
0.18181818181818182,
0.6363636363636364,
0.13636363636363635,
0.045454545454545456
] | [] | -531.328274 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [] | 0 | -0.300088 | pbe | true | d311f5d8cd7099fc3aafee2cca6ecfe1_14_K16W4S12O56 |
[
"Hg",
"I",
"N"
] | 4 | A2BC | HgI2N | Hg1 I2 N1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.85025647,
3.85025647
],
[
3.85025647,
0,
3.85025647
],
[
3.85025647,
3.85025647,
0
]
] | agm002706415 | [
[
1.925128235,
1.925128235,
1.925128235
],
[
5.7753847050000005,
5.7753847050000005,
5.7753847050000005
],
[
3.85025647,
3.85025647,
3.85025647
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "N", "attached": n... | [
"I",
"I",
"Hg",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.23003766,
0,
0
],
[
0,
0.23003766,
0
],
[
0,
0,
0.23003766
]
] | -6.291787 | [
0.127,
0.127,
0.021,
1.765
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.018255 | 1.531058 | pbe | true | 754cadad1ba6e2075c8e419bf9d2d727_225_Hg1I2N1 |
[
"Ac",
"As"
] | 5 | A4B | Ac4As | Ac4 As1 | 2 | [
1,
1,
1
] | 3 | [
[
6.09938447,
0,
0
],
[
0,
6.09938447,
0
],
[
0,
0,
6.09938447
]
] | agm006185379 | [
[
3.049692235,
3.049692235,
3.049692235
],
[
0,
0,
0
],
[
3.049692235,
0,
3.049692235
],
[
0,
3.049692235,
3.049692235
],
[
3.049692235,
3.049692235,
0
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"As",
"Ac",
"Ac",
"Ac",
"Ac"
] | 2023-11-16 06:57:59 | [
0.8,
0.2
] | [
[
0.3491482,
0,
0
],
[
0,
0.3491482,
0
],
[
0,
0,
0.3491482
]
] | -22.877344 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.002042 | 8.691478 | pbe | true | eb5538a88c7570951f2275bf793695f8_221_Ac4As1 |
[
"K",
"O",
"S",
"Zn"
] | 52 | A8B2C2D | K2O8S2Zn | K8 O32 S8 Zn4 | 4 | [
1,
1,
1
] | 3 | [
[
5.44070962,
0,
-0.16999675
],
[
0,
8.9426703,
0
],
[
-0.00459238,
0,
16.35036177
]
] | mp-555652 | [
[
1.4507284933373945,
7.652358425583573,
4.395564274706037
],
[
3.9993447150160266,
7.385587660476807,
8.418915871901754
],
[
1.2673301266626054,
3.181023275583573,
3.6946182352939627
],
[
1.2812860950160267,
6.028417789523193,
0.3287333619017558
],
[
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": nul... | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Zn",
"Zn",
"Zn",
"Zn",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",... | 2014-03-07 06:10:52 | [
0.15384615384615385,
0.6153846153846154,
0.15384615384615385,
0.07692307692307693
] | [] | -293.292045 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | -0.182547 | pbe | true | b2cd7abd52e4bd0c1d5e67a4bd8913ec_14_K8Zn4S8O32 |
[
"Ac",
"Gd"
] | 4 | A3B | Ac3Gd | Ac3 Gd1 | 2 | [
1,
1,
1
] | 3 | [
[
3.79469159,
0,
0
],
[
0,
3.78731638,
0
],
[
0,
0,
12.12750148
]
] | agm001829726 | [
[
0,
1.89365819,
5.683993796905724
],
[
1.897345795,
1.89365819,
2.245771936816548
],
[
1.897345795,
0,
8.601757503404915
],
[
0,
0,
11.765976173705653
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}] | [
"Ac",
"Ac",
"Ac",
"Gd"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
0.62139636,
0,
0
],
[
0,
0.67371684,
0
],
[
0,
0,
0.7072085
]
] | -25.560715 | [
0.007,
0.041,
0.058,
7.334
] | [
[
0,
0,
0.00086969
],
[
0,
0,
-0.006818
],
[
0,
0,
0.00317852
],
[
0,
0,
0.0027698
]
] | 8.075232 | 7.539388 | pbe | true | f89ab5c31fe52a51c5d84603f8f60e29_25_Ac3Gd1 |
[
"Ge",
"Ho",
"Re"
] | 4 | A2BC | Ge2HoRe | Ho1 Re1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
4.66688213,
0,
0
],
[
2.33344107,
4.04163848,
0
],
[
2.33344107,
1.34721283,
3.71297679
]
] | agm001925940 | [
[
0,
0,
0
],
[
2.3334387574180258,
1.3472114937839827,
0.9557366371034118
],
[
7.000325512581974,
4.0416398162160165,
2.757240152896588
],
[
4.666882135,
2.694425655,
1.856488395
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Re", "attached"... | [
"Re",
"Ge",
"Ge",
"Ho"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.2402005,
0,
0
],
[
0,
3.2402005,
0
],
[
0,
0,
2.5895438
]
] | -26.849644 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
-0.00084204
],
[
0,
0,
0.00084204
],
[
0,
0,
0
]
] | 0.000003 | 2.319961 | pbe | true | d6d87aff361b5c0376e195370e525429_166_Ho1Re1Ge2 |
[
"K",
"O",
"Sc",
"Se"
] | 10 | A6B2CD | KO6ScSe2 | K1 Sc1 Se2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.49812202,
-0.00000395,
0
],
[
2.74906443,
4.76151137,
0
],
[
2.74906215,
1.58716914,
6.19900209
]
] | agm004973097 | [
[
0,
0,
0
],
[
5.498124300000001,
3.17433828,
3.099501045
],
[
8.247189226552772,
4.761509023040832,
4.984862193191471
],
[
2.749059373447228,
1.5871675369591685,
1.2141398968085284
],
[
3.798744020496973,
3.5603627522342127,
4.327250230996... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"Sc",
"Se",
"Se",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
0.6035051,
-0.00000501,
0
],
[
0.00000501,
0.6035051,
0
],
[
0,
0,
0.93321055
]
] | -60.869027 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00479971
],
[
0,
0,
0.00479971
],
[
-0.00082431,
-0.0017681,
0.00050273
],
[
0.00194337,
0.00017017,
0.00050273
],
[
0.00111906,
-0.00159792,
-0.00050273
],
[
0.00... | 0 | 0 | pbe | true | 82a71e8c368278ad661cddb220f4bdf7_148_K1Sc1Se2O6 |
[
"Al",
"Zr"
] | 4 | A3B | AlZr3 | Al1 Zr3 | 2 | [
1,
1,
1
] | 3 | [
[
-2.152263,
2.152263,
4.593556
],
[
2.152263,
-2.152263,
4.593556
],
[
2.152263,
2.152263,
-4.593556
]
] | oqmd-1991212 | [
[
0,
0,
0
],
[
-6.338206116598623e-17,
6.338206116598623e-17,
4.593560000000002
],
[
-1.8569312458302695e-15,
2.1522600000000014,
2.296780000000001
],
[
2.1522600000000014,
-2.078975850755301e-15,
2.296780000000001
]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Al",
"Zr",
"Zr",
"Zr"
] | 2024-11-01 00:00:00 | [
0.25,
0.75
] | [
[
0.15337,
0,
0
],
[
0,
0.15337,
0
],
[
0,
0,
0.10953
]
] | -30.4416 | [
0,
0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000442 | null | pbe | true | 7297b9fdcbf2ef74fd82e623893abc43_139_Zr3Al1 |
[
"Ge",
"Ho",
"Th"
] | 10 | A2B2C | Ge2HoTh2 | Ho2 Th4 Ge4 | 3 | [
1,
1,
1
] | 3 | [
[
4.24775907,
0,
0
],
[
0,
7.84497312,
0
],
[
0,
0,
7.84497312
]
] | agm003407515 | [
[
0,
0,
0
],
[
0,
3.92248656,
3.92248656
],
[
2.123879535,
1.308707123798563,
5.231193683798563
],
[
2.123879535,
5.231193683798563,
6.536265996201436
],
[
2.123879535,
6.536265996201436,
2.613779436201437
],
[
2.123879535,
2.61... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ho", "attached"... | [
"Ho",
"Ho",
"Th",
"Th",
"Th",
"Th",
"Ge",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
1.0369215,
0,
0
],
[
0,
1.449136,
0
],
[
0,
0,
1.449136
]
] | -64.566451 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00182783,
-0.00182783
],
[
0,
-0.00182783,
0.00182783
],
[
0,
0.00182783,
0.00182783
],
[
0,
0.00182783,
-0.00182783
],
[
0,
0.00938072,
0.00938072
],
[
0,
0.0093... | 0 | 7.212812 | pbe | true | b50efc470b0110929459bd542a152309_127_Ho2Th4Ge4 |
[
"Cd",
"Ge",
"Nb"
] | 4 | A2BC | CdGe2Nb | Cd1 Ge2 Nb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.360536615,
3.360536615
],
[
3.360536615,
0,
3.360536615
],
[
3.360536615,
3.360536615,
0
]
] | oqmd-7211996 | [
[
3.3605399999999994,
3.3605399999999994,
3.3605399999999994
],
[
0,
0,
0
],
[
1.6802699999999997,
1.6802699999999997,
1.6802699999999997
],
[
5.0408,
5.0408,
5.0408
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nb", "attached"... | [
"Cd",
"Ge",
"Ge",
"Nb"
] | 2024-11-01 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
18.39239268,
0,
0
],
[
0,
18.39239268,
0
],
[
0,
0,
18.39239268
]
] | -18.1867 | [
0.013,
-0.017,
0.002,
0.788
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.950081 | null | pbe | true | 3cd6b69af72fede30a480bc280d1525f_216_Nb1Cd1Ge2 |
[
"Cd",
"Ge",
"Pa"
] | 3 | ABC | CdGePa | Cd1 Ge1 Pa1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.464880249,
3.464880249
],
[
3.464880249,
0,
3.464880249
],
[
3.464880249,
3.464880249,
0
]
] | oqmd-6985881 | [
[
5.19732,
5.19732,
5.19732
],
[
1.73244,
1.73244,
1.73244
],
[
3.46488,
3.46488,
3.46488
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pa", "attached"... | [
"Cd",
"Ge",
"Pa"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.30223982,
0,
0
],
[
0,
5.30223982,
0
],
[
0,
0,
5.30223982
]
] | -13.9609 | [
0.035,
-0.009,
0.761
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.929029 | null | pbe | true | c71b3757032a2951824b6149cd5456c3_216_Pa1Cd1Ge1 |
[
"K",
"O",
"Si",
"Sr"
] | 272 | A9B4C3D | K4O9Si3Sr | K64 O144 Si48 Sr16 | 4 | [
1,
1,
1
] | 3 | [
[
16.37721873,
0,
0
],
[
0,
16.37721873,
0
],
[
0,
0,
16.37721873
]
] | mp-1203391 | [
[
8.188609365,
8.188609365,
0
],
[
8.188609365,
0,
8.188609365
],
[
0,
8.188609365,
8.188609365
],
[
0,
0,
0
],
[
0,
0,
8.188609365
],
[
0,
8.188609365,
0
],
[
8.188609365,
0,
0
],
[
8.188609365,
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": nu... | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"... | 2019-01-12 07:15:15 | [
0.23529411764705882,
0.5294117647058824,
0.17647058823529413,
0.058823529411764705
] | [
[
0.02358591,
0,
0
],
[
0,
0.02358591,
0
],
[
0,
0,
0.02358591
]
] | -1,765.581402 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00013152,
-0.00013152,
-0.00013152
],
[
-0.00013152,
-0.... | 0 | 1.018982 | pbe | true | 795ae9f4fe07ba5ab3fcc91b47d452c8_205_K64Sr16Si48O144 |
[
"K",
"O",
"Si",
"Tb"
] | 20 | A6B2CD | KO6Si2Tb | K2 Tb2 Si4 O12 | 4 | [
1,
1,
1
] | 3 | [
[
7.12311047,
0.55276505,
0.67799401
],
[
-0.32346439,
7.13719992,
0.67799401
],
[
-1.246406,
-1.4096055,
5.13084812
]
] | agm004944432 | [
[
0.6737549793928957,
5.6275086589738885,
1.9607060399999998
],
[
4.879485100607104,
0.6528508110261101,
4.5261301
],
[
3.9554813706045033,
2.725729775347254,
1.9607060399999998
],
[
1.5977587093954968,
3.5546296946527454,
4.5261301
],
[
1.12218428... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"K",
"Tb",
"Tb",
"Si",
"Si",
"Si",
"Si",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
[
0.47081095,
0.00093861,
-0.08729888
],
[
0.00093861,
0.4710425,
-0.09872945
],
[
-0.08729887,
-0.09872945,
0.4382284
]
] | -150.730874 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00011334,
-0.00010022,
0
],
[
-0.00011334,
0.00010022,
0
],
[
-0.00085219,
0.00075353,
0
],
[
0.00085219,
-0.00075353,
0
],
[
0.00086915,
0.00374749,
0.00001347
],
[
-0.00361289,
-0.00132141,
-0.00001347
],
[
-0.... | 0 | 0 | pbe | true | ac23b0de9808e395a298149aa6f0c836_15_K2Tb2Si4O12 |
[
"Cs",
"I"
] | 10 | A4B | CsI4 | Cs2 I8 | 2 | [
1,
1,
1
] | 3 | [
[
9.18094729,
0,
0
],
[
0,
9.18094729,
0
],
[
4.59047364,
4.59047364,
6.60000398
]
] | agm004477561 | [
[
9.1809472875,
4.5904736425,
3.30000199
],
[
4.5904736425,
9.1809472875,
3.30000199
],
[
4.590473645,
4.590473645,
0
],
[
0,
0,
0
],
[
4.590473642775332,
4.590473642775332,
2.9365640588360464
],
[
9.180947287224669,
9.180947287... | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.2,
0.8
] | [
[
0.26007202,
0,
0
],
[
0,
0.26007202,
0
],
[
0,
0,
0.20673008
]
] | -19.89924 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00590601
],
[
0,
0,
0.00590601
],
[
-0.00123428,
-0.00123428,
0
],
[
0.00123428,
0.00123428,
0
],
[
0.00123428,
-0.00... | 0 | 0 | pbe | true | 08744b7077b2b562a80af8b34420630e_139_Cs2I8 |
[
"K",
"O",
"Si",
"U"
] | 96 | A15B6C2D | K2O15Si6U | K8 O60 Si24 U4 | 4 | [
1,
1,
1
] | 3 | [
[
0,
-7.17643086,
0
],
[
-12.20341699,
3.58821543,
1.52047378
],
[
0.0011527,
0,
-17.32783015
]
] | mp-1195515 | [
[
-2.5139172724439534,
-3.2254437282795756,
-12.831381276591026
],
[
-9.687770667556045,
0.3627717017204244,
-11.639890168408975
],
[
-9.688347017556044,
-0.36277170172042394,
-2.975975093408975
],
[
-2.514493622443953,
-3.9509871317204235,
-4.167466201591... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": nu... | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"U",
"U",
"U",
"U",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"O",
"O",
"O",
"O",
"O",
"O",
... | 2019-01-12 00:52:27 | [
0.08333333333333333,
0.625,
0.25,
0.041666666666666664
] | [
[
0.3951699,
0,
-1.09595559
],
[
0,
-1.90538483,
0
],
[
-1.09595552,
0,
-2.76014339
]
] | -747.574718 | [
0,
0,
0,
0,
0,
0,
0,
0,
2.012,
2.012,
2.012,
2.012,
0,
0,
0,
0,
-0.001,
-0.001,
-0.001,
-0.001,
0,
0,
0,
0,
0.001,
0.001,
0.001,
0.001,
-0.001,
-0.001,
-0.001,
-0.001,
0.001,
0.001,
0.001,
0.001,
-0.02,
-0.02,
-0.02,
-0.02,
0,
0,
0,... | [
[
0.03559434,
-0.0034822,
-0.02298921
],
[
-0.03559434,
-0.0034822,
0.02298921
],
[
-0.03559434,
0.0034822,
0.02298921
],
[
0.03559434,
0.0034822,
-0.02298921
],
[
0.02766417,
0.01068315,
-0.02010215
],
[
-0.02766417,
0.01068315... | 7.705 | 4.598921 | pbe | true | 0c1cdc91387a4ccf29a9358c623d95f7_15_K8U4Si24O60 |
[
"As",
"Pb"
] | 4 | AB | AsPb | As2 Pb2 | 2 | [
1,
1,
1
] | 3 | [
[
3.60626521,
0,
0
],
[
-1.80313261,
3.12311729,
0
],
[
0,
0,
10.3128285
]
] | agm003162529 | [
[
0,
0,
5.121488515617045
],
[
1.8031326213646595,
1.0410390862562757,
7.7695471093829545
],
[
0,
0,
0.58613270164605
],
[
1.8031326213646595,
1.0410390862562757,
1.99207442335395
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Pb",
"Pb",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
3.0888085,
0,
0
],
[
0,
3.0888085,
0
],
[
0,
0,
2.8904467
]
] | -16.541589 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00032935
],
[
0,
0,
0.00032935
],
[
0,
0,
-0.0017816
],
[
0,
0,
0.0017816
]
] | -0.000001 | 1.096587 | pbe | true | 55c2dc4e858466515d534b03f7b9b846_164_As2Pb2 |
[
"As",
"Pb"
] | 4 | AB | AsPb | As2 Pb2 | 2 | [
1,
1,
1
] | 3 | [
[
9.2255407,
-0.14332964,
-0.08476551
],
[
8.52289406,
3.53432051,
-0.08476551
],
[
8.52289406,
1.6283721,
3.13799473
]
] | agm003162530 | [
[
13.330637602264206,
2.5469327876691144,
1.5062623677930391
],
[
19.508523422735795,
3.727270924830886,
2.204317269706961
],
[
25.85621712959491,
4.9400523168728085,
2.9215591930261127
],
[
6.982943895405091,
1.3341513956271918,
0.7890204444738873
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Pb",
"Pb",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
3.1699054,
0.04929018,
0.02915033
],
[
0.04929018,
2.921338,
0.00556942
],
[
0.02915033,
0.00556942,
2.9152145
]
] | -16.470331 | [
0,
0,
0,
0
] | [
[
-0.00102912,
-0.00019662,
-0.00011628
],
[
0.00102912,
0.00019662,
0.00011628
],
[
0.00052783,
0.00010085,
0.00005964
],
[
-0.00052783,
-0.00010085,
-0.00005964
]
] | -0.000108 | 1.762994 | pbe | true | 55c2dc4e858466515d534b03f7b9b846_166_As2Pb2 |
[
"K",
"O",
"Sm",
"Te"
] | 20 | A12B4C3D | KO12Sm3Te4 | K1 Sm3 Te4 O12 | 4 | [
1,
1,
1
] | 3 | [
[
7.87187547,
-0.32394088,
-0.45004234
],
[
-2.21107325,
7.5619122,
-0.45004234
],
[
-2.21107325,
-2.82710545,
7.02798186
]
] | agm004707677 | [
[
0,
0,
0
],
[
3.4056147818503555,
3.169112251755667,
-0.45004234
],
[
2.2551874381496444,
-1.718324097895691,
3.715577281045472
],
[
-2.21107325,
2.9600777161400242,
2.862362238954528
],
[
6.228133527302045,
-1.3165643530419684,
3.06394859... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": nu... | [
"K",
"Sm",
"Sm",
"Sm",
"Te",
"Te",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.05,
0.6,
0.15,
0.2
] | [
[
0.5834441,
0.0393083,
0.05460996
],
[
0.0393083,
0.60296124,
0.06982496
],
[
0.05460996,
0.06982496,
0.6497071
]
] | -121.364646 | [
0.002,
0.004,
0.004,
0.004,
-0.007,
-0.007,
-0.007,
0.324,
0.093,
0.001,
0.001,
0.001,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.093,
0.093
] | [
[
0,
0,
0
],
[
-0.0030143,
0.00235748,
0
],
[
0.0030143,
0.00074832,
-0.00223556
],
[
0,
-0.0031058,
0.00223556
],
[
0.00089381,
-0.00069905,
0
],
[
-0.00089381,
-0.0002219,
0.0006629
],
[
0,
0.00092094,
-0.0... | 0.937589 | 4.435021 | pbe | true | caf9520bf35e5874d3c3da09473da7b8_155_K1Sm3Te4O12 |
[
"K",
"O",
"Sm",
"W"
] | 48 | A8B2CD | KO8SmW2 | K4 O32 Sm4 W8 | 4 | [
1,
1,
1
] | 3 | [
[
-5.26166296,
0,
0
],
[
0,
0,
-8.26662001
],
[
0,
-18.67189389,
0
]
] | mp-1211622 | [
[
0,
-4.294942081829985,
-6.1999650075
],
[
0,
-14.376951808170015,
-2.0666550025
],
[
-2.63083148,
-5.041004863170015,
-2.0666550025
],
[
-2.63083148,
-13.630889026829985,
-6.1999650075
],
[
0,
-18.54607912130934,
-6.1999650075
],
[
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sm", "attached": nu... | [
"K",
"K",
"K",
"K",
"Sm",
"Sm",
"Sm",
"Sm",
"W",
"W",
"W",
"W",
"W",
"W",
"W",
"W",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",... | 2019-01-12 13:57:18 | [
0.08333333333333333,
0.6666666666666666,
0.08333333333333333,
0.16666666666666666
] | [
[
0.08434333,
0,
0
],
[
0,
3.45125444,
0
],
[
0,
0,
-2.87452901
]
] | -353.455229 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.02701276,
0
],
[
0,
-0.02701276,
0
],
[
0,
-0.02701276,
0
],
[
0,
0.02701276,
0
],
[
0,
0.03557858,
0
],
[
0,
-0.03557858,
0
],
[
0,
-0.03557858,
0
],
[
0,
0.03557858,
0
],
[
-0... | 0 | -0.509907 | pbe | true | 0e42f956b368c4c31760cb438c3deb6e_60_K4Sm4W8O32 |
[
"K",
"O",
"Sr",
"V"
] | 28 | A4BCD | KO4SrV | K4 Sr4 V4 O16 | 4 | [
1,
1,
1
] | 3 | [
[
5.93800805,
0,
0
],
[
0,
7.56137859,
0
],
[
0,
0,
10.08673267
]
] | agm003236772 | [
[
2.8558053429595494,
0.674222420183094,
5.806956105410081
],
[
3.0822027070404503,
4.454911715183094,
9.323142899589918
],
[
0.11319868204045049,
6.887156169816906,
0.7635897704100812
],
[
5.824809367959549,
3.106466874816906,
4.279776564589919
],
[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sr", "attached": nu... | [
"K",
"K",
"K",
"K",
"Sr",
"Sr",
"Sr",
"Sr",
"V",
"V",
"V",
"V",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.5714285714285714,
0.14285714285714285,
0.14285714285714285
] | [
[
0.5850664,
0,
0
],
[
0,
0.6163344,
0
],
[
0,
0,
0.65888464
]
] | -187.254992 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00107784,
-0.00099874,
-0.00204975
],
[
-0.00107784,
-0.00099874,
0.00204975
],
[
-0.00107784,
0.00099874,
-0.00204975
],
[
0.00107784,
0.00099874,
0.00204975
],
[
-0.00049336,
-0.00058734,
0.0002022
],
[
-0.00049336,
0.0005... | -0.000002 | 0 | pbe | true | 198a774e4742b64c2de75ad41002de76_19_K4Sr4V4O16 |
[
"Au",
"Ni"
] | 5 | A4B | Au4Ni | Ni1 Au4 | 2 | [
1,
1,
1
] | 3 | [
[
-1.87237782,
1.87237782,
7.0091025
],
[
1.87237782,
-1.87237782,
7.0091025
],
[
1.87237782,
1.87237782,
-7.0091025
]
] | agm005407894 | [
[
0,
0,
0
],
[
1.1102230246251565e-16,
1.87237782,
3.50455125
],
[
-1.8889184290421214e-17,
1.8889184290421214e-17,
5.7007256723454
],
[
-8.504866403765164e-17,
8.504866403765164e-17,
8.317479327654599
],
[
1.87237782,
0,
3.50455125
]
] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Ni",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.8,
0.2
] | [
[
-2.4348183,
0,
0
],
[
0,
-2.4348183,
0
],
[
0,
0,
-2.0148115
]
] | -16.73605 | [
0.767,
0.005,
0.017,
0.017,
0.005
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00059285
],
[
0,
0,
-0.00059285
],
[
0,
0,
0
]
] | 0.80029 | 7.214212 | pbe | true | 08061e5933908f7bfc05d5b7d873bbba_139_Ni1Au4 |
[
"Cd",
"Hg",
"Mo"
] | 4 | A2BC | Cd2HgMo | Cd2 Hg1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
2.92466018,
0,
0
],
[
0,
4.39291592,
0
],
[
0,
0,
6.13500057
]
] | agm004181760 | [
[
0,
0,
6.052201620707189
],
[
1.46233009,
2.19645796,
1.510613582950393
],
[
0,
0,
3.167684598908077
],
[
1.46233009,
2.19645796,
4.607001561084335
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Hg", "attached"... | [
"Cd",
"Cd",
"Hg",
"Mo"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
6.69534,
0,
0
],
[
0,
6.534879,
0
],
[
0,
0,
6.6135855
]
] | -11.094311 | [
0,
-0.005,
0.002,
0.325
] | [
[
0,
0,
0.0001115
],
[
0,
0,
-0.00038198
],
[
0,
0,
0.00166721
],
[
0,
0,
-0.00139673
]
] | 0.364634 | 3.045603 | pbe | true | 2e20e8b1e5432a7f241d1edf5bdf063d_25_Cd2Hg1Mo1 |
[
"K",
"O",
"Te",
"Ti"
] | 20 | A6B2CD | KO6TeTi2 | K2 Ti4 Te2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
6.23775836,
-0.07792921,
-0.08087293
],
[
1.92573622,
7.50776217,
0.13278835
],
[
1.92573622,
-0.14555024,
7.5075256
]
] | agm004974745 | [
[
3.4851758100000003,
6.6592060242320885,
0.91146625911831
],
[
6.60405499,
0.6250766957679117,
6.64797476088169
],
[
4.631533702823226,
6.085567174784384,
4.933686298858073
],
[
2.338817917176774,
2.618489474164707,
1.3356423452022588
],
[
5.45769... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": nu... | [
"K",
"K",
"Ti",
"Ti",
"Ti",
"Ti",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
0.48291615,
0.01583208,
0.01643013
],
[
0.01583204,
0.4794104,
0.0313667
],
[
0.01643008,
0.0313667,
0.481737
]
] | -143.869809 | [
0.001,
0.001,
0.075,
0.075,
0.075,
0.075,
0.34,
0.34,
0.053,
0.053,
0.053,
0.053,
0.016,
0.016,
0.016,
0.016,
0.01,
0.01,
0.01,
0.01
] | [
[
0,
-0.00205035,
0.00197572
],
[
0,
0.00205035,
-0.00197572
],
[
-0.00090119,
-0.0006321,
0.00003884
],
[
0.00090119,
-0.00006224,
0.00063023
],
[
0.00090119,
0.0006321,
-0.00003884
],
[
-0.00090119,
0.00006224,
-0.00063023... | 2.039589 | 0.850956 | pbe | true | a707ff1db0a8e90ee2765b68e3b6dc10_15_K2Ti4Te2O12 |
[
"K",
"O",
"Te",
"U"
] | 32 | A21B5C4D2 | K4O21Te2U5 | K4 O21 Te2 U5 | 4 | [
1,
1,
1
] | 3 | [
[
7.09389627,
0.04318361,
-0.55300816
],
[
-1.36199183,
6.94886038,
-1.23140056
],
[
-0.1899941,
-0.064041,
11.5540951
]
] | mp-556212 | [
[
3.5770694564866,
2.0444699960002426,
0.3085642962904226
],
[
1.7864942070963215,
1.0799779739287794,
8.10160763741618
],
[
1.9648408835134001,
4.883532993999757,
9.461122083709578
],
[
3.755416132903679,
5.848025016071221,
1.668078742583819
],
[
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": nu... | [
"K",
"K",
"K",
"K",
"U",
"U",
"U",
"U",
"U",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-22 13:11:54 | [
0.125,
0.65625,
0.0625,
0.15625
] | [] | -253.522683 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | 2.019961 | pbe | true | cf768079644c4e8ca71b6b6b0eb7606a_2_K4U5Te2O21 |
[
"Cd",
"Hg",
"Mo"
] | 4 | A2BC | CdHgMo2 | Cd1 Hg1 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.29464298,
3.29464298
],
[
3.29464298,
0,
3.29464298
],
[
3.29464298,
3.29464298,
0
]
] | agm002702731 | [
[
1.64732149,
1.64732149,
1.64732149
],
[
4.94196447,
4.94196447,
4.94196447
],
[
3.29464298,
3.29464298,
3.29464298
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Cd", "attached"... | [
"Mo",
"Mo",
"Hg",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.879749,
0,
0
],
[
0,
5.879749,
0
],
[
0,
0,
5.879749
]
] | -19.491009 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000012 | 5.956176 | pbe | true | 06ccd6cf1698b8fa7406cab202aa498a_225_Cd1Hg1Mo2 |
[
"K",
"O",
"Ti",
"Zn"
] | 20 | A6B2CD | KO6Ti2Zn | K2 Ti4 Zn2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
6.32561703,
-0.08040719,
-0.08344451
],
[
1.94234166,
7.22938373,
-0.95172337
],
[
1.94234166,
-1.21899983,
7.189145
]
] | agm004974790 | [
[
3.5237459175,
6.319954726608382,
-0.11562817329831475
],
[
6.6865544325,
-0.3899780166083823,
6.269605293298315
],
[
4.6248677885562754,
4.490021549414203,
3.3588991064075993
],
[
2.4226240464437248,
2.779994777302199,
1.5842773593013741
],
[
5.5... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ti", "attached": nu... | [
"K",
"K",
"Ti",
"Ti",
"Ti",
"Ti",
"Zn",
"Zn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
[
0.59917855,
0.03413182,
0.03542112
],
[
0.03413195,
0.78547156,
0.01763627
],
[
0.03542126,
0.01763627,
0.7867797
]
] | -141.432365 | [
0.001,
0.001,
-0.053,
-0.053,
-0.053,
-0.053,
0.047,
0.047,
0.168,
0.168,
0.168,
0.168,
0.199,
0.199,
0.199,
0.199,
0.092,
0.092,
0.092,
0.092
] | [
[
0,
0.00075373,
-0.0007263
],
[
0,
-0.00075373,
0.0007263
],
[
-0.001203,
-0.00286307,
-0.00221212
],
[
0.001203,
0.0021045,
0.00294309
],
[
0.001203,
0.00286307,
0.00221212
],
[
-0.001203,
-0.0021045,
-0.00294309
],
[
... | 2.113756 | 12.718491 | pbe | true | 44780208a20b1300da584e2c2d694102_15_K2Ti4Zn2O12 |
[
"Be",
"Cl",
"Ir"
] | 4 | A2BC | BeClIr2 | Be1 Ir2 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.49408513,
0,
0
],
[
0,
2.73863304,
0.01657679
],
[
0,
1.33653038,
7.67125197
]
] | agm003937280 | [
[
0,
2.2095560593363675,
2.7881448249935223
],
[
0,
2.2247801298286314,
0.3774822200978341
],
[
1.747042565,
0.846085991340764,
1.93176377429542
],
[
1.747042565,
3.570956030245871,
6.450929187491512
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached"... | [
"Be",
"Ir",
"Ir",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.63385844,
0,
0
],
[
0,
-2.1611843,
0.04236483
],
[
0,
0.04236488,
-1.4995246
]
] | -22.675271 | [
0,
0,
0,
0
] | [
[
0,
0.00667371,
-0.02500436
],
[
0,
-0.00241645,
0.04270277
],
[
0,
-0.00260448,
-0.015752
],
[
0,
-0.00165278,
-0.0019464
]
] | -0.000003 | 3.752871 | pbe | true | 9753b94d162a8ab1814c1478e1c0c0cb_6_Be1Ir2Cl1 |
[
"K",
"O",
"U",
"W"
] | 120 | A10B2C2D | K2O10U2W | K16 O80 U16 W8 | 4 | [
1,
1,
1
] | 3 | [
[
8.37347614,
-0.09093252,
0
],
[
-2.06237806,
9.02478117,
0
],
[
0,
0,
29.13607867
]
] | mp-561009 | [
[
3.295000742341514,
4.469538340199187,
17.62039932720306
],
[
2.6279145045736354,
3.528718186140556,
25.576477612521014
],
[
0.5451736576662278,
0.2904959334412974,
21.835063636451004
],
[
1.4996758301734947,
1.5389376490598892,
15.099731688856576
],
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": nul... | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"U",
"W",
"W",
"W",
"W",
"W",
"W",
"W",
"W",
"O",
"O",
"O",
"O",
"O",
"... | 2014-03-20 17:23:34 | [
0.13333333333333333,
0.6666666666666666,
0.13333333333333333,
0.06666666666666667
] | [] | -970.376826 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [] | 0 | 0.80637 | pbe | true | 13e6da4da2c5438b3bb24126b06a04d9_14_K16U16W8O80 |
[
"Au",
"Tl"
] | 4 | A3B | Au3Tl | Tl1 Au3 | 2 | [
1,
1,
1
] | 3 | [
[
3.57762716,
0,
0
],
[
0,
3.86784998,
0
],
[
0,
0,
5.89995881
]
] | agm003162910 | [
[
0,
0,
0
],
[
1.78881358,
1.93392499,
4.352106622182495
],
[
0,
0,
2.949979405
],
[
1.78881358,
1.93392499,
1.5478521878175047
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Tl",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
6.4226985,
0,
0
],
[
0,
6.516372,
0
],
[
0,
0,
6.6713037
]
] | -11.901445 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.0043983
],
[
0,
0,
0
],
[
0,
0,
-0.0043983
]
] | 0 | 0.81864 | pbe | true | ef6da75cc25c0bc4b3525b78f268e482_47_Tl1Au3 |
[
"Ge",
"Ho",
"Tm"
] | 6 | ABC | GeHoTm | Ho2 Tm2 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
3.99964592,
0.00003449,
0.00250979
],
[
-0.00014547,
4.78444048,
0.24068237
],
[
-1.98801001,
-0.38095576,
7.61460003
]
] | agm003600324 | [
[
2.614932748428625,
2.3600725044642386,
3.2068561800829234
],
[
-1.3475327417351561,
-0.141693949547225,
5.249906049664534
],
[
2.6285422605160753,
0.09057198257353409,
0.5954118155150501
],
[
0.626855787566471,
2.5057264202161984,
0.2471009543240204
],... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached"... | [
"Ho",
"Ho",
"Tm",
"Tm",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.2495463,
-0.00430197,
0.03715743
],
[
-0.00430203,
1.17126,
-0.007028
],
[
0.03715733,
-0.00702774,
1.1566327
]
] | -30.365079 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00087222,
0.00355754,
-0.00005609
],
[
0.00027861,
0.0040336,
0.00327364
],
[
-0.00066043,
0.00346924,
-0.00250013
],
[
0.00171348,
0.00379459,
0.0021809
],
[
-0.00150013,
-0.00358487,
-0.00001746
],
[
-0.00070376,
-0.011270... | -0 | 3.875969 | pbe | true | cd068dcdcbea202efaffe62d9a320d82_11_Ho2Tm2Ge2 |
[
"Cd",
"Hg",
"Na"
] | 4 | A2BC | CdHgNa2 | Na2 Cd1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
3.75280988,
0,
0
],
[
0,
3.75280988,
0
],
[
0,
0,
7.48735579
]
] | agm001125522 | [
[
0,
0,
5.655445413456912
],
[
0,
0,
1.831910376543088
],
[
1.87640494,
1.87640494,
0
],
[
1.87640494,
1.87640494,
3.743677895
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Na",
"Hg",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.727403,
0,
0
],
[
0,
3.727403,
0
],
[
0,
0,
3.6183054
]
] | -4.490778 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00223582
],
[
0,
0,
-0.00223582
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 | 1.387219 | pbe | true | e1bd5329208f904227470f68329aeb9a_123_Na2Cd1Hg1 |
[
"Au",
"Tl"
] | 12 | A2B | Au2Tl | Tl4 Au8 | 2 | [
1,
1,
1
] | 3 | [
[
6.80739078,
0,
0
],
[
0,
6.80739078,
0
],
[
0,
0,
6.80739078
]
] | agm005509070 | [
[
0,
0,
0
],
[
3.40369539,
3.40369539,
0
],
[
3.40369539,
0,
3.40369539
],
[
0,
3.40369539,
3.40369539
],
[
4.191312409315419,
4.191312409315419,
2.616078370684582
],
[
2.616078370684582,
2.616078370684582,
4.191312409315419... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Tl",
"Tl",
"Tl",
"Tl",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.3333333333333333
] | [
[
5.003678,
0,
0
],
[
0,
5.003678,
0
],
[
0,
0,
5.003678
]
] | -31.891608 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00085497,
0.00085497,
-0.00085497
],
[
-0.00085497,
-0.00085497,
0.00085497
],
[
0.00085497,
-0.00085497,
0.00085497
],
[
-0.00085497,
0.000... | -0.000001 | 4.654406 | pbe | true | 69e37547269069166d99d6f0226f7979_205_Tl4Au8 |
[
"B",
"Er"
] | 4 | AB | BEr | Er2 B2 | 2 | [
1,
1,
1
] | 3 | [
[
3.50966074,
0,
-0.0133683
],
[
0,
3.17901731,
0
],
[
-1.73820456,
0,
6.33232491
]
] | agm001418030 | [
[
1.7696271343921262,
0.7947543275,
6.010152002058362
],
[
0.0018290456078742033,
2.3842629825,
0.3088046079416373
],
[
1.75971495069635,
0.7947543275,
1.586265905322181
],
[
0.011741229303650074,
2.3842629825,
4.732690704677818
]
] | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"B",
"B",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.08914586,
0,
-0.05841961
],
[
0,
-0.04691367,
0
],
[
-0.05841979,
0,
0.06232964
]
] | -24.124499 | [
0,
0,
0,
0
] | [
[
-0.00141065,
0,
0.00361887
],
[
0.00141065,
0,
-0.00361887
],
[
-0.00041999,
0,
-0.00033483
],
[
0.00041999,
0,
0.00033483
]
] | 0 | 2.80512 | pbe | true | 5665e8336f33e21b65f5bc46d4ce1ae6_63_Er2B2 |
[
"Ge",
"I",
"Mn"
] | 5 | A3BC | GeIMn3 | Mn3 Ge1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
4.89500953,
0,
0
],
[
0,
4.89500953,
0
],
[
0,
0,
4.89500953
]
] | agm002526089 | [
[
0,
0,
0
],
[
2.447504765,
2.447504765,
2.447504765
],
[
0,
2.447504765,
0
],
[
0,
0,
2.447504765
],
[
2.447504765,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"Ge",
"Mn",
"Mn",
"Mn"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
2.8878813,
0,
0
],
[
0,
2.8878813,
0
],
[
0,
0,
2.8878813
]
] | -26.607639 | [
-0.076,
-0.136,
3.404,
3.272,
3.598
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 10.341248 | 5.493452 | pbe | true | 488b2b93a476d80705c3bc0f7b2cb372_221_Mn3Ge1I1 |
[
"Be",
"Cl",
"K"
] | 5 | A3BC | Be3ClK | K1 Be3 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
6.17849697,
0,
0
],
[
0,
6.17849697,
0
],
[
0,
0,
6.17849697
]
] | agm002421882 | [
[
0,
3.089248485,
0
],
[
0,
0,
3.089248485
],
[
3.089248485,
0,
0
],
[
0,
0,
0
],
[
3.089248485,
3.089248485,
3.089248485
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": ... | [
"Be",
"Be",
"Be",
"K",
"Cl"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
0.88673675,
0,
0
],
[
0,
0.88673675,
0
],
[
0,
0,
0.88673675
]
] | -4.8069 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000014 | 0 | pbe | true | f78ca65e393a7b57cb51e958edfbf4aa_221_K1Be3Cl1 |
[
"Be",
"Cl",
"Mo"
] | 4 | A2BC | BeCl2Mo | Be1 Mo1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
1.75230283,
0,
8.53246878
],
[
-0.87615141,
1.51753876,
8.53246878
],
[
-0.87615141,
-1.51753876,
8.53246878
]
] | agm002756103 | [
[
0,
0,
0
],
[
5.000000080634948e-9,
0,
12.79870317
],
[
9.031619946729639e-9,
-7.289170331342234e-17,
23.11860444887302
],
[
9.683801000804654e-10,
3.989562653734424e-18,
2.4788018911269836
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached"... | [
"Be",
"Mo",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-0.10652621,
0,
0
],
[
0,
-0.10652621,
0
],
[
0,
0,
-0.33438995
]
] | -17.134801 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.01741979
],
[
0,
0,
0.01741979
]
] | 0 | 1.240308 | pbe | true | 485b1bc024b875cc6faa1fea84d68e1b_166_Be1Mo1Cl2 |
[
"Ba",
"Ca"
] | 4 | A3B | BaCa3 | Ba1 Ca3 | 2 | [
1,
1,
1
] | 3 | [
[
7.49841756,
-0.00120457,
-0.00399941
],
[
-3.41017983,
6.67809411,
-0.00399941
],
[
-3.41017983,
-5.56948874,
3.68480014
]
] | agm003162921 | [
[
2.0441188649999997,
3.33844477,
-0.00399941
],
[
-3.41017983,
0.5543026850000001,
1.840400365
],
[
2.0441188649999997,
-2.7853466549999997,
1.840400365
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}] | [
"Ca",
"Ca",
"Ca",
"Ba"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
0.8066267,
-0.01293536,
-0.04294809
],
[
-0.01293536,
0.79342103,
-0.0701426
],
[
-0.04294809,
-0.0701426,
0.58165896
]
] | -7.767402 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000029 | 4.184387 | pbe | true | 6ae0e13ac141f71e92876a48e7f0e73f_166_Ba1Ca3 |
[
"Ba",
"Cl"
] | 4 | A3B | Ba3Cl | Ba3 Cl1 | 2 | [
1,
1,
1
] | 3 | [
[
4.09784994,
0,
0
],
[
0,
4.09784994,
0
],
[
0,
0,
11.56063061
]
] | agm003855055 | [
[
0,
0,
10.903452805824124
],
[
2.04892497,
2.04892497,
2.8901576525
],
[
0,
0,
6.437493109175876
],
[
2.04892497,
2.04892497,
8.6704729575
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}] | [
"Ba",
"Ba",
"Ba",
"Cl"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
0.11168424,
0,
0
],
[
0,
0.11168424,
0
],
[
0,
0,
-0.03403765
]
] | -10.503998 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00174217
],
[
0,
0,
0
],
[
0,
0,
0.00174217
],
[
0,
0,
0
]
] | 0.000173 | 4.779944 | pbe | true | aa44eeec760de200b19e333fd4e092fc_123_Ba3Cl1 |
[
"Be",
"Cl",
"Mo"
] | 4 | A2BC | BeCl2Mo | Be1 Mo1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.81602005,
0,
0
],
[
0,
4.17580409,
0
],
[
0,
0,
4.17580409
]
] | agm004042621 | [
[
1.908010025,
0,
2.087902045
],
[
1.908010025,
2.087902045,
0
],
[
0,
0,
0
],
[
0,
2.087902045,
2.087902045
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached"... | [
"Be",
"Mo",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.72490585,
0,
0
],
[
0,
-0.00074663,
0
],
[
0,
0,
-0.00074663
]
] | -14.800654 | [
-0.094,
2.468,
-0.006,
-0.006
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.689976 | 2.617573 | pbe | true | a93a48d0dfa751087f0583266678ca82_123_Be1Mo1Cl2 |
[
"K",
"Pb",
"Se",
"Sm"
] | 12 | A3BCD | KPbSe3Sm | K1 Pb1 Se3 Sm1 | 4 | [
1,
1,
1
] | 3 | [
[
2.13957857,
-8.486847218,
0
],
[
2.13957857,
8.486847218,
0
],
[
0,
0,
12.109609997
]
] | oqmd-8716325 | [
[
2.13958,
5.64821,
3.0274
],
[
2.13958,
-5.64821,
9.082210000000002
],
[
2.13958,
-6.64288,
3.0274
],
[
2.13958,
6.64288,
9.082210000000002
],
[
2.13958,
-6.4968,
0.05165
],
[
2.13958,
-0.08432000000000005,
3.0274
],
[
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Se", "attached": ... | [
"K",
"K",
"Pb",
"Pb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Sm",
"Sm"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] | [
[
1.78057287,
0,
0
],
[
0,
3.39880404,
0
],
[
0,
0,
2.79347465
]
] | -54.1597 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.05955,
0
],
[
0,
-0.05955,
0
],
[
0,
0.044681,
0
],
[
0,
-0.044681,
0
],
[
0,
-0.003278,
-0.012522
],
[
0,
0.008104,
0
],
[
0,
-0.003278,
0.012522
],
[
0,
0.003278,
-0.012522
],
[
... | -0.01296 | null | pbe | true | 181422f3cb42679259e3fc91335cd3cb_63_K2Sm2Pb2Se6 |
[
"K",
"Pb",
"Sn",
"Tl"
] | 5 | A2BCD | KPbSn2Tl | K1 Tl1 Sn2 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.44060937,
0,
0
],
[
0,
5.43268096,
0
],
[
-2.22030469,
-2.71634048,
7.22032613
]
] | agm005003923 | [
[
-4.428629610428976e-9,
-1.8815633387384875e-17,
6.39523000419429
],
[
2.2203047038658443,
2.7163405071634044,
4.819138298980049
],
[
2.220304660761383,
-2.716340497311726e-8,
2.9394952022594687
],
[
2.1587617099355884e-8,
2.716340476613394e-8,
0.88872070... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached":... | [
"K",
"Tl",
"Sn",
"Sn",
"Pb"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
4.3949924,
0,
0
],
[
0,
4.29201,
0
],
[
0,
0,
4.399215
]
] | -15.63606 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00616199
],
[
0,
0,
-0.00061661
],
[
0,
0,
0.00698595
],
[
0,
0,
0.00073736
],
[
0,
0,
-0.00094471
]
] | -0 | 2.09207 | pbe | true | befd196aa1ce215cfe0e052a37199543_44_K1Tl1Sn2Pb1 |
[
"Ba",
"Li"
] | 4 | AB | BaLi | Ba2 Li2 | 2 | [
1,
1,
1
] | 3 | [
[
5.25088439,
0,
0
],
[
0,
5.04423835,
0.01237484
],
[
0,
2.49144695,
6.77818152
]
] | agm003162994 | [
[
0,
0.3111692127680155,
0.5829245920112909
],
[
2.625442195,
5.3405947622319845,
4.509992677988709
],
[
0,
2.824597177074426,
3.382849253181702
],
[
2.625442195,
2.8271667979255737,
1.7100680168182982
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}] | [
"Ba",
"Ba",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.04518839,
0,
0
],
[
0,
0.23010422,
0.06918071
],
[
0,
0.06918071,
0.11761234
]
] | -7.501499 | [
0,
0,
0,
0
] | [
[
0,
0.00083231,
0.00178017
],
[
0,
-0.00083231,
-0.00178017
],
[
0,
-0.00096457,
-0.00326384
],
[
0,
0.00096457,
0.00326384
]
] | 0.000007 | 3.856563 | pbe | true | 76dc466f3558ed1653f19af27a5551f1_63_Ba2Li2 |
[
"Be",
"Bi"
] | 5 | A4B | Be4Bi | Be4 Bi1 | 2 | [
1,
1,
1
] | 3 | [
[
4.77699139,
0,
0
],
[
0,
4.77699139,
0
],
[
0,
0,
4.77699139
]
] | agm006186060 | [
[
0,
0,
0
],
[
2.388495695,
0,
2.388495695
],
[
0,
2.388495695,
2.388495695
],
[
2.388495695,
2.388495695,
0
],
[
2.388495695,
2.388495695,
2.388495695
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Be",
"Be",
"Be",
"Be",
"Bi"
] | 2023-11-16 06:57:59 | [
0.8,
0.2
] | [
[
0.085463,
0,
0
],
[
0,
0.085463,
0
],
[
0,
0,
0.085463
]
] | -9.424479 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000032 | 2.752242 | pbe | true | fe93992e702627a6b2fd1f7de4b26db1_221_Be4Bi1 |
[
"Be",
"Cl",
"Os"
] | 4 | A2BC | BeClOs2 | Be1 Os2 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
2.71169399,
0,
0
],
[
0,
4.82328094,
0
],
[
0,
0,
4.26429002
]
] | agm003988786 | [
[
1.355846995,
0,
2.13214501
],
[
0,
0,
0
],
[
1.355846995,
2.41164047,
0
],
[
0,
2.41164047,
2.13214501
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Os", "attached"... | [
"Be",
"Os",
"Os",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.0828824,
0,
0
],
[
0,
1.2640204,
0
],
[
0,
0,
0.39254513
]
] | -24.465572 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000313 | 3.800585 | pbe | true | 628c250bad3ebdb2d0eca9bd66a02b16_47_Be1Os2Cl1 |
[
"Cd",
"Pd",
"Tb"
] | 16 | A3B3C2 | Cd2Pd3Tb3 | Tb6 Cd4 Pd6 | 3 | [
1,
1,
1
] | 3 | [
[
5.7905432,
0,
0
],
[
0,
7.33239166,
-4.23335794
],
[
0,
0,
8.46671689
]
] | agm005576777 | [
[
4.3429074,
1.9888756756754489,
-1.148277809438991
],
[
4.3429074,
5.343515984324551,
3.0850808666034073
],
[
4.3429074,
0,
2.296555892835584
],
[
1.4476358,
5.343515984324551,
-3.085080130561009
],
[
1.4476358,
1.9888756756754489,
1.14827... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pd", "attached"... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Cd",
"Cd",
"Cd",
"Cd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.375,
0.375
] | [
[
4.75145,
0,
0
],
[
0,
4.7323008,
3.2e-7
],
[
0,
3.2e-7,
4.7323008
]
] | -73.507413 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00148017,
0.00085458
],
[
0,
0.00148017,
0.00085458
],
[
0,
0,
-0.00170915
],
[
0,
0.00148017,
-0.00085458
],
[
0,
-0.00148017,
-0.00085458
],
[
0,
0,
0.00170915
],
[
0,
0,
0
],
[
0,
0,
... | 0.000017 | 10.565001 | pbe | true | 94e2a6efb565f514290712fc703a2c12_193_Tb6Cd4Pd6 |
[
"Be",
"Ca"
] | 3 | A2B | BeCa2 | Ca2 Be1 | 2 | [
1,
1,
1
] | 3 | [
[
7.01863964,
-0.02811331,
0
],
[
5.2005182,
4.71345978,
0
],
[
-6.10957861,
-2.34267311,
2.5390992
]
] | agm004077997 | [
[
6.109578920000001,
2.342673235,
0
],
[
1.5941018008632848,
0.6112466459059533,
0
],
[
4.515477429136716,
1.731426714094047,
2.5390992
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}] | [
"Be",
"Ca",
"Ca"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.6666666666666666
] | [
[
-0.0798575,
-0.03711938,
0
],
[
-0.03711938,
0.00271491,
0
],
[
0,
0,
0.01694808
]
] | -6.936852 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00142852,
-0.00054776,
0
],
[
0.00142852,
0.00054776,
0
]
] | 0.000005 | 2.715792 | pbe | true | 9849d18d3a7491d5dfe2c65305b01a20_139_Ca2Be1 |
[
"K",
"Pd",
"Se",
"Ta"
] | 20 | A12B4C3D | KPd4Se12Ta3 | K1 Ta3 Pd4 Se12 | 4 | [
1,
1,
1
] | 3 | [
[
9.02587663,
-0.62980262,
-0.87496782
],
[
-2.78597295,
8.6082202,
-0.87496782
],
[
-2.78597295,
-3.56217927,
7.8852966
]
] | agm004708544 | [
[
0,
0,
0
],
[
3.773359026355466,
3.478180397924609,
-0.87496782
],
[
2.466544653644535,
-2.2582039805821013,
3.989764171569695
],
[
-2.78597295,
3.1962618926574913,
3.020564608430305
],
[
6.996992027632456,
-1.9135576612913798,
3.067680480... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached":... | [
"K",
"Ta",
"Ta",
"Ta",
"Pd",
"Pd",
"Pd",
"Pd",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.05,
0.2,
0.6,
0.15
] | [
[
1.6500502,
-0.05300934,
-0.07364445
],
[
-0.05300934,
1.6237302,
-0.0941627
],
[
-0.07364445,
-0.0941627,
1.5606909
]
] | -106.54178 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0.00236222,
-0.00184749,
0
],
[
-0.00236222,
-0.00058644,
0.00175194
],
[
0,
0.00243392,
-0.00175194
],
[
-0.00034116,
0.00026682,
0
],
[
0.00034116,
0.00008469,
-0.00025302
],
[
0,
-0.00035151,
... | 0.000011 | 13.586517 | pbe | true | f4579771db2681f7a7059c81fe931937_155_K1Ta3Pd4Se12 |
[
"Ge",
"I",
"Nd"
] | 12 | A3B2C | GeI3Nd2 | Nd4 Ge2 I6 | 3 | [
1,
1,
1
] | 3 | [
[
4.77493349,
0,
0
],
[
2.38746675,
9.68817238,
0.11496044
],
[
2.38746675,
2.42935693,
10.34377641
]
] | agm003428232 | [
[
7.162400217455687,
6.571023861707723,
8.170547962989552
],
[
2.387466772544312,
5.546505448292277,
2.2881888870104485
],
[
4.774931082595384,
3.5040032427930865,
5.90198179733793
],
[
4.774935907404616,
8.613526067206914,
4.55675505266207
],
[
4.... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "I", "attached":... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Ge",
"Ge",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.3333333333333333
] | [
[
0.44861805,
0,
0
],
[
0,
0.53649557,
-0.00429795
],
[
0,
-0.00429795,
0.39284152
]
] | -50.815843 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00000679,
-0.00074607
],
[
0,
0.00000679,
0.00074607
],
[
0,
-0.00349295,
0.00291333
],
[
0,
0.00349295,
-0.00291333
],
[
0,
-0.00121841,
-0.00152101
],
[
0,
0.00121841,
0.00152101
],
[
0,
0.00027323,
... | -0.000004 | 1.512384 | pbe | true | 86649833134e7b29991d3f0a97aecb7d_12_Nd4Ge2I6 |
[
"Br",
"Rh"
] | 4 | AB | BrRh | Rh2 Br2 | 2 | [
1,
1,
1
] | 3 | [
[
7.41684095,
-0.0376627,
0
],
[
-6.58363952,
3.41564618,
0
],
[
0,
0,
3.42155864
]
] | agm004113481 | [
[
-0.6058617939787492,
1.9411887177601066,
0.85538966
],
[
1.439063223978749,
1.4367947622398936,
2.56616898
],
[
-4.726617367399416,
2.9575859722394675,
0.85538966
],
[
5.559812423408476,
0.4203716661869102,
2.56616898
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Rh",
"Rh",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
5.5184894,
0.02222923,
0
],
[
0.02222923,
5.6031284,
0
],
[
0,
0,
5.503783
]
] | -16.516403 | [
0,
0,
0,
0
] | [
[
0.00864861,
-0.00213324,
0
],
[
-0.00864861,
0.00213324,
0
],
[
-0.00592845,
0.00146229,
0
],
[
0.00592845,
-0.00146229,
0
]
] | -0.000025 | 4.088346 | pbe | true | fe315bdec94a05b5dbbcb5d14c94834d_63_Rh2Br2 |
[
"Ge",
"I",
"Os"
] | 5 | A3BC | Ge3IOs | Ge3 Os1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
5.32033533,
0,
0
],
[
0,
5.32033533,
0
],
[
0,
0,
5.32033533
]
] | agm002483037 | [
[
0,
0,
0
],
[
0,
2.660167665,
0
],
[
0,
0,
2.660167665
],
[
2.660167665,
0,
0
],
[
2.660167665,
2.660167665,
2.660167665
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"Ge",
"Ge",
"Ge",
"Os"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
2.044013,
0,
0
],
[
0,
2.044013,
0
],
[
0,
0,
2.044013
]
] | -15.548213 | [
-0.001,
-0.055,
-0.045,
0.011,
2.534
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.709767 | 4.716554 | pbe | true | 2149312b71f24f951388477a7be63ec4_221_Ge3Os1I1 |
[
"Br",
"S"
] | 4 | AB | BrS | S2 Br2 | 2 | [
1,
1,
1
] | 3 | [
[
4.69384101,
-0.00000155,
-1.79634815
],
[
-0.70412463,
6.85167702,
-1.83984829
],
[
-0.60601901,
-1.18232877,
5.44707554
]
] | agm005539352 | [
[
2.0298295164267137,
4.477801826199923,
-1.7267057470368452
],
[
1.353867853573286,
1.1915448738000776,
3.537584847036845
],
[
2.818081338679234,
4.497023391541795,
0.33296292183569964
],
[
0.5656160313207659,
1.172323308458206,
1.4779161781643007
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}] | [
"S",
"S",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.13523528,
-0.00551772,
0.001175
],
[
-0.00551796,
0.16825703,
-0.0144181
],
[
0.001175,
-0.01441746,
0.1378541
]
] | -10.818636 | [
0,
0,
0,
0
] | [
[
0.0014288,
-0.00613575,
0.00373338
],
[
-0.0014288,
0.00613575,
-0.00373338
],
[
-0.00174792,
0.00260493,
-0.00456724
],
[
0.00174792,
-0.00260493,
0.00456724
]
] | 0 | -0.050745 | pbe | true | ac48a88222043fcc3f6ff07caf8c645a_12_S2Br2 |
[
"Cd",
"Pd",
"Th"
] | 4 | A2BC | CdPd2Th | Th1 Cd1 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.49901887,
0,
0
],
[
0,
4.90195313,
0
],
[
0,
0,
4.90195313
]
] | agm001218739 | [
[
0,
0,
2.450976565
],
[
0,
2.450976565,
0
],
[
1.749509435,
2.450976565,
2.450976565
],
[
1.749509435,
0,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pd", "attached"... | [
"Pd",
"Pd",
"Th",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.475925,
0,
0
],
[
0,
6.0235257,
0
],
[
0,
0,
6.0235257
]
] | -20.806815 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 | 2.623775 | pbe | true | b5171669cbfe18eabff158437257bc90_123_Th1Cd1Pd2 |
[
"C",
"Rh"
] | 4 | A3B | C3Rh | Rh1 C3 | 2 | [
1,
1,
1
] | 3 | [
[
3.05868505,
0.02360253,
-0.01240357
],
[
1.57589717,
2.62157576,
-0.01240357
],
[
-1.59392702,
-0.90973057,
5.13027404
]
] | agm004236294 | [
[
1.5203276,
0.8677238599999998,
2.55273345
],
[
1.5352998305364445,
0.8762692285091971,
1.2506663493653738
],
[
1.5053553694635549,
0.8591784914908025,
3.854800550634626
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"C",
"C",
"C",
"Rh"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
0.45048213,
0.26655224,
-0.17699185
],
[
0.26655224,
0.1355936,
-0.10101774
],
[
-0.1769918,
-0.10101771,
-0.4325574
]
] | -31.35374 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.00300575,
-0.00171552,
0.00229909
],
[
0.00300575,
0.00171552,
-0.00229909
],
[
0,
0,
0
]
] | -0.000008 | 2.334594 | pbe | true | af91291ca8c875921ea89c484c4db1fb_12_Rh1C3 |
[
"Cd",
"Pd",
"Tm"
] | 7 | A5BC | CdPd5Tm | Tm1 Cd1 Pd5 | 3 | [
1,
1,
1
] | 3 | [
[
4.61086484,
-0.0000135,
0
],
[
-0.0000135,
4.61086484,
0
],
[
0,
0,
6.1774282
]
] | agm005802319 | [
[
2.30542567,
2.30542567,
0
],
[
0,
0,
3.0887141
],
[
-0.00000675,
2.30543242,
4.665210702793267
],
[
-0.00000675,
2.30543242,
1.512217497206732
],
[
2.30543242,
-0.00000675,
4.665210702793267
],
[
2.30543242,
-0.00000675,
1... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pd", "attached"... | [
"Tm",
"Cd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.7142857142857143,
0.14285714285714285
] | [
[
7.3237195,
-0.00004289,
0
],
[
-0.00004289,
7.3237195,
0
],
[
0,
0,
7.3421707
]
] | -33.916104 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00941801
],
[
0,
0,
0.00941801
],
[
0,
0,
-0.00941801
],
[
0,
0,
0.00941801
],
[
0,
0,
0
]
] | 0 | 2.115925 | pbe | true | 54adcf96c1db615a58d46a948d3454a0_123_Tm1Cd1Pd5 |
[
"Cd",
"Pd",
"Y"
] | 11 | A5B4C2 | Cd5Pd2Y4 | Y4 Cd5 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.58567774,
0,
0
],
[
0,
7.65803861,
-0.54212476
],
[
0,
0.05487914,
9.77984174
]
] | agm005679391 | [
[
1.79283887,
5.8990120493646625,
5.004359297341205
],
[
1.79283887,
1.3273030550577232,
8.303342749449156
],
[
1.79283887,
1.8139057006353376,
4.233357682658795
],
[
1.79283887,
6.3856146949422765,
0.9343742305508438
],
[
0,
4.232437940186743,... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Y",
"Y",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.45454545454545453,
0.18181818181818182,
0.36363636363636365
] | [
[
4.351493,
0,
0
],
[
0,
4.2748938,
-0.00258029
],
[
0,
-0.00258034,
3.9947186
]
] | -46.423372 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00401286,
-0.00309146
],
[
0,
0.00043841,
-0.0031373
],
[
0,
-0.00401286,
0.00309146
],
[
0,
-0.00043841,
0.0031373
],
[
0,
0.00097697,
-0.00604782
],
[
0,
-0.00262567,
0.00413548
],
[
0,
0,
0
],
[... | 0 | 8.483303 | pbe | true | d1a0df87101feaeafd9712fcb2c4ee95_10_Y4Cd5Pd2 |
[
"Cd",
"Pr",
"Rh"
] | 10 | A2B2C | CdPr2Rh2 | Cd2 Pr4 Rh4 | 3 | [
1,
1,
1
] | 3 | [
[
0,
0,
4.04880695
],
[
7.58526832,
0,
0
],
[
0,
7.58526832,
0
]
] | mp-1205724 | [
[
1.3157071917539087,
5.108341351753909,
2.024403475
],
[
6.2695611282460915,
2.476926968246091,
2.024403475
],
[
2.476926968246091,
1.3157071917539087,
2.024403475
],
[
5.108341351753909,
6.2695611282460915,
2.024403475
],
[
0,
0,
0
],
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Rh", "attached"... | [
"Pr",
"Pr",
"Pr",
"Pr",
"Cd",
"Cd",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2019-01-12 09:10:54 | [
0.2,
0.4,
0.4
] | [
[
5.64219338,
0,
0
],
[
0,
5.64219338,
0
],
[
0,
0,
2.70155617
]
] | -56.094626 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.02573213,
-0.02573213,
0
],
[
0.02573213,
0.02573213,
0
],
[
0.02573213,
-0.02573213,
0
],
[
-0.02573213,
0.02573213,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.06518724,
0.06518724,
0
],
[
-0.06518724,
... | 0 | 4.24174 | pbe | true | 2de53d819afc998bcb67dc3b7ca94c85_127_Pr4Cd2Rh4 |
[
"Ce",
"Mg"
] | 16 | A3B | Ce3Mg | Ce12 Mg4 | 2 | [
1,
1,
1
] | 3 | [
[
7.51942641,
0,
0
],
[
0,
7.51942641,
0
],
[
0,
0,
7.51942641
]
] | mp-1039189 | [
[
0,
0,
0
],
[
1.8798566025,
1.8798566025,
1.8798566025
],
[
1.8798566025,
1.8798566025,
5.6395698075
],
[
0,
3.759713205,
3.759713205
],
[
1.8798566025,
5.6395698075,
5.6395698075
],
[
1.8798566025,
5.6395698075,
1.87985660... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Mg",
"Mg",
"Mg",
"Mg"
] | 2018-05-03 15:04:00 | [
0.75,
0.25
] | [
[
18.11786228,
0,
0
],
[
0,
18.11786228,
0
],
[
0,
0,
18.11786228
]
] | -74.330248 | [
-0.025,
-0.061,
-0.061,
-0.025,
-0.061,
-0.061,
-0.025,
-0.061,
-0.061,
-0.025,
-0.061,
-0.061,
-0.001,
-0.001,
-0.001,
-0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],... | -0.592 | 7.612024 | pbe | true | 17b683c4aed0a08f0e7e7340650cc430_225_Ce12Mg4 |
[
"Ce",
"Os"
] | 4 | A3B | Ce3Os | Ce3 Os1 | 2 | [
1,
1,
1
] | 3 | [
[
5.00520169,
0,
0
],
[
2.50260084,
4.33463181,
0
],
[
2.50260084,
1.44487727,
4.08673006
]
] | agm001416237 | [
[
5.005201684999999,
2.88975454,
2.04336503
],
[
0,
0,
0
],
[
7.507802527499999,
4.33463181,
3.0650475449999997
],
[
2.5026008424999997,
1.44487727,
1.021682515
]
] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Os",
"Ce",
"Ce",
"Ce"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
4.9679856,
0,
0
],
[
0,
4.9679856,
0
],
[
0,
0,
4.9679856
]
] | -28.769516 | [
-0.029,
0.465,
0.482,
0.482
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.753378 | 13.32185 | pbe | true | 6c2f59dea400233292f72d6967091c47_225_Ce3Os1 |
[
"K",
"Pt",
"S",
"Tb"
] | 12 | A3BCD | KPtS3Tb | K1 Pt1 S3 Tb1 | 4 | [
1,
1,
1
] | 3 | [
[
1.959677951,
-7.429058905,
0
],
[
1.959677951,
7.429058905,
0
],
[
0,
0,
10.16632692
]
] | oqmd-4924570 | [
[
1.9596800000000016,
3.763010000000001,
2.541580000000001
],
[
1.9596800000000012,
-3.76301,
7.624749999999999
],
[
1.9596799999999992,
-0.17362999999999962,
2.541580000000001
],
[
1.9596799999999992,
0.1736299999999995,
7.624749999999999
],
[
1.9... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "S", "attached": n... | [
"K",
"K",
"Pt",
"Pt",
"S",
"S",
"S",
"S",
"S",
"S",
"Tb",
"Tb"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] | [
[
2.92377735,
0,
0
],
[
0,
3.73100833,
0
],
[
0,
0,
2.38848025
]
] | -62.4781 | [
0,
0,
0.003,
0.001,
0.001,
0,
0,
0,
0,
0,
0,
0.001
] | [
[
0,
0.015859,
0
],
[
0,
-0.015859,
0
],
[
0,
0.008577,
0
],
[
0,
-0.008577,
0
],
[
0,
0.018036,
0.008777
],
[
0,
0.004863,
0
],
[
0,
0.018036,
-0.008777
],
[
0,
-0.018036,
0.008777
],
[
... | 0.034986 | null | pbe | true | 4359491112c72a435dc58970b0c04a6e_63_K2Tb2Pt2S6 |
[
"Cd",
"Pr",
"U"
] | 3 | ABC | CdPrU | Cd1 Pr1 U1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.587800685,
3.587800685
],
[
3.587800685,
0,
3.587800685
],
[
3.587800685,
3.587800685,
0
]
] | oqmd-6951294 | [
[
0,
0,
0
],
[
3.5878000000000005,
3.5878000000000005,
3.5878000000000005
],
[
1.7939000000000005,
1.7939000000000005,
1.7939000000000005
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "U", "attached":... | [
"Cd",
"Pr",
"U"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
7.32701435,
0,
0
],
[
0,
7.32701435,
0
],
[
0,
0,
7.32701435
]
] | -14.1214 | [
-0.011,
0.3,
2.651
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.20966 | null | pbe | true | c77f974fa974bd72fe84702b48f18123_216_Pr1U1Cd1 |
[
"K",
"Pu",
"S",
"U"
] | 20 | A6B2CD | K2PuS6U | K4 Pu2 U2 S12 | 4 | [
1,
1,
1
] | 3 | [
[
7.30597188,
-0.00000123,
-0.0252936
],
[
-0.00000119,
7.30684172,
0.00002246
],
[
0.03131383,
0.00003187,
10.34516578
]
] | agm004970932 | [
[
0.0172009398394382,
7.2260755450496434,
2.5858064600558084
],
[
3.68584096645187,
3.7342412299181644,
7.746564623031622
],
[
7.320083580160562,
0.0807968149503574,
7.734088179944192
],
[
3.6514435535481304,
3.5726311300818363,
2.5733300169683786
],
[... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "U", "attached": nul... | [
"K",
"K",
"K",
"K",
"Pu",
"Pu",
"U",
"U",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.6,
0.1
] | [
[
0.36192435,
0.00027299,
0.00869108
],
[
0.00027296,
0.32123044,
-0.00059603
],
[
0.00869113,
-0.00059602,
0.34283718
]
] | -131.118271 | [
0,
0,
0,
0,
4.46,
4.46,
0.449,
0.449,
-0.122,
-0.122,
-0.122,
-0.122,
-0.123,
-0.123,
-0.123,
-0.123,
-0.123,
-0.123,
-0.123,
-0.123
] | [
[
0.00085293,
-0.00106331,
-0.00014442
],
[
0.00087427,
0.0010446,
-0.0003986
],
[
-0.00085293,
0.00106331,
0.00014442
],
[
-0.00087427,
-0.0010446,
0.0003986
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
... | 7.999996 | 19.004187 | pbe | true | 075a9ab8c22260efb0c7f3ed119640df_14_K4Pu2U2S12 |
[
"Cl",
"Co"
] | 12 | A2B | Cl2Co | Co4 Cl8 | 2 | [
1,
1,
1
] | 3 | [
[
6.59963652,
0,
0
],
[
0,
13.55679402,
0
],
[
0,
0,
16.9701274
]
] | agm2000030871 | [
[
0,
11.34221688333001,
8.485060815078342
],
[
3.29981826,
11.34221688333001,
8.485060815078342
],
[
3.29981826,
4.56381987333001,
8.485060815078342
],
[
0,
4.56381987333001,
8.485060815078342
],
[
1.64990913,
3.4358199129309592,
9.47013326... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}] | [
"Co",
"Co",
"Co",
"Co",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.3333333333333333
] | [
[
0.17628694,
0,
0
],
[
0,
0.04627562,
0
],
[
0,
0,
-0.09828524
]
] | -46.614034 | [
2.393,
2.393,
2.393,
2.393,
0.161,
0.161,
0.161,
0.161,
0.256,
0.256,
0.256,
0.256
] | [
[
0,
-0.00070097,
0
],
[
0,
-0.00070097,
0
],
[
0,
-0.00070097,
0
],
[
0,
-0.00070097,
0
],
[
0,
-0.00055443,
0.00451479
],
[
0,
-0.00055443,
-0.00451479
],
[
0,
-0.00055443,
0.00451479
],
[
0,
-0... | 12.000011 | 3.085911 | pbe | true | d4354ad4ecc4db4dffca83a559cc6b3d_39_Co4Cl8 |
[
"K",
"Rb",
"Sb",
"Zn"
] | 6 | A2B2CD | KRbSb2Zn2 | K1 Rb1 Sb2 Zn2 | 4 | [
1,
1,
1
] | 3 | [
[
4.579908007,
0,
0
],
[
-2.289954004,
3.966316681,
0
],
[
0,
0,
10.969156642
]
] | oqmd-6362216 | [
[
0,
0,
5.48458
],
[
0,
0,
0
],
[
-2.1701500184315126e-16,
2.6442099999999997,
2.81293
],
[
2.2899499999999997,
1.32211,
8.15623
],
[
2.2899499999999997,
1.32211,
2.81415
],
[
-2.1701500184315126e-16,
2.6442099999999997,
8.1... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sb", "attached": ... | [
"K",
"Rb",
"Sb",
"Sb",
"Zn",
"Zn"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.3333333333333333
] | [
[
4.45367585,
0,
0
],
[
0,
4.45367585,
0
],
[
0,
0,
3.55471383
]
] | -15.2586 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.013703
],
[
0,
0,
-0.013703
],
[
0,
0,
0.050396
],
[
0,
0,
-0.050396
]
] | null | null | pbe | true | d93f03bbdf86a8ffea314f3d8b26e306_164_K1Rb1Zn2Sb2 |
[
"Hg",
"In",
"Tl"
] | 9 | A4B4C | Hg4In4Tl | Tl1 In4 Hg4 | 3 | [
1,
1,
1
] | 3 | [
[
4.48087048,
-0.00002029,
1.51748033
],
[
2.24040544,
7.15929437,
0.75872971
],
[
-0.05600511,
-0.00000965,
7.53974429
]
] | agm006023414 | [
[
0,
0,
0
],
[
1.4748581850912807,
4.77112781315366,
3.019325077841787
],
[
5.19041262490872,
2.388136616846339,
6.796629252158213
],
[
3.7148159653163204,
2.386683020362429,
3.7794488956727883
],
[
2.9504548446836796,
4.77258140963757,
6.0... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "In", "attached"... | [
"Tl",
"In",
"In",
"In",
"In",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
0.4444444444444444,
0.1111111111111111
] | [
[
5.408826,
-0.00004358,
0.09920162
],
[
-0.00004345,
5.1158934,
-0.00001482
],
[
0.09920162,
-0.00001443,
5.14949
]
] | -14.356375 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
-0.0006386,
-0.00186038,
0.00188572
],
[
0.0006386,
0.00186038,
-0.00188572
],
[
-0.00059675,
0.00199091,
0.00176207
],
[
0.00059675,
-0.00199091,
-0.00176207
],
[
-0.00011715,
0.00540662,
0.00034585
],
[
... | 0 | 5.111201 | pbe | true | b37925e281dd4c3e2becc6205649d4d7_139_Tl1In4Hg4 |
[
"Hg",
"K",
"Pb"
] | 11 | A6B3C2 | Hg6K2Pb3 | K2 Hg6 Pb3 | 3 | [
1,
1,
1
] | 3 | [
[
4.59268979,
0,
0
],
[
0,
9.08192368,
-0.9546425
],
[
0,
0.04800776,
9.131833
]
] | agm005609439 | [
[
0,
2.7085597778863946,
6.16129475473297
],
[
0,
6.421371662113604,
2.0158957452670303
],
[
2.296344895,
3.4903051367200293,
3.126079335168395
],
[
2.296344895,
5.639626303279969,
5.051111164831605
],
[
2.296344895,
0.23716198003885197,
3.... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "K", "attached":... | [
"K",
"K",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Pb",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.5454545454545454,
0.18181818181818182,
0.2727272727272727
] | [
[
5.1789074,
0,
0
],
[
0,
5.1420245,
-0.05744319
],
[
0,
-0.05744319,
5.1547117
]
] | -16.074221 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00021064,
-0.00023518
],
[
0,
-0.00021064,
0.00023518
],
[
0,
0.00078872,
0.00070641
],
[
0,
-0.00078872,
-0.00070641
],
[
0,
-0.00028596,
0.00229815
],
[
0,
0.00028596,
-0.00229815
],
[
0,
0.00225288,
... | 0 | 3.48607 | pbe | true | 7b8af8f2890a7b9f50075f65c01f657f_65_K2Hg6Pb3 |
[
"Hg",
"K",
"Pt"
] | 3 | ABC | HgKPt | Hg1 K1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.512032,
3.512032
],
[
3.512032,
0,
3.512032
],
[
3.512032,
3.512032,
0
]
] | oqmd-3627586 | [
[
0,
0,
0
],
[
1.7560099999999987,
1.7560099999999987,
1.7560099999999987
],
[
5.268050000000003,
5.268050000000003,
5.268050000000003
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": ... | [
"Hg",
"K",
"Pt"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-0.42137,
0,
0
],
[
0,
-0.42137,
0
],
[
0,
0,
-0.42137
]
] | -6.80048 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.001381 | null | pbe | true | 4d669d9028ba1ff14613596ed4376742_216_K1Hg1Pt1 |
[
"Cd",
"Pt",
"Pu"
] | 12 | A7B4C | CdPt4Pu7 | Pu7 Cd1 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
5.59752746,
0,
0
],
[
2.79876373,
9.04910069,
-1.88357639
],
[
2.79876373,
-1.02645939,
5.80372221
]
] | agm003664798 | [
[
8.396291190000001,
7.768196454792221,
0.9121901557376365
],
[
2.79876373,
0.2544448452077776,
3.007955664262364
],
[
2.79876373,
5.265588313234453,
-0.4117649561858534
],
[
8.396291190000001,
2.757052986765546,
4.331910776185854
],
[
5.59752746,
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Pu", "attached"... | [
"Pu",
"Pu",
"Pu",
"Pu",
"Pu",
"Pu",
"Pu",
"Cd",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.3333333333333333,
0.5833333333333334
] | [
[
4.5765996,
0,
0
],
[
0,
4.5981903,
0.07664233
],
[
0,
0.07664245,
4.5589643
]
] | -128.864966 | [
5.233,
5.233,
-5.155,
-5.155,
-5.325,
5.271,
-5.325,
0.014,
0.023,
0.023,
0.078,
0.078
] | [
[
0,
0.00502124,
0.00775934
],
[
0,
-0.00502124,
-0.00775934
],
[
0,
0.00631595,
0.00463883
],
[
0,
-0.00631595,
-0.00463883
],
[
0,
0.00104552,
0.00755424
],
[
0,
0,
0
],
[
0,
-0.00104552,
-0.00755424
],
... | -5.446248 | 49.3414 | pbe | true | aa76e7a813a052fe7cc6ea9b2f16d5d8_12_Pu7Cd1Pt4 |
[
"I",
"Sn"
] | 4 | AB | ISn | Sn2 I2 | 2 | [
1,
1,
1
] | 3 | [
[
4.27754407,
0.01478946,
0.00790799
],
[
2.13554922,
4.72315882,
0.00294336
],
[
2.14599619,
0.11714953,
8.87971362
]
] | agm002025233 | [
[
5.11379306198141,
0.7858809401014603,
5.238883233861335
],
[
2.96567982802454,
2.3817528005702298,
1.7083624679309013
],
[
2.9771124244126606,
0.24641855687195502,
7.33612246911264
],
[
7.252431421901523,
3.018652526498938,
8.486626029741538
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
"I",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
1.4920785,
-0.06414029,
-0.04909213
],
[
-0.06414002,
1.3080492,
0.03108852
],
[
-0.04909203,
0.03108839,
1.3649857
]
] | -11.941904 | [
0,
0,
0,
0
] | [
[
0.00179375,
-0.00130755,
-0.00105277
],
[
0.00142146,
-0.00049357,
-0.00119987
],
[
-0.00160226,
0.00096766,
0.00044994
],
[
-0.00161295,
0.00083346,
0.0018027
]
] | 0 | 0.091083 | pbe | true | 889e393e825d536a33eac28d33368d82_1_Sn2I2 |
[
"In",
"Re"
] | 4 | A3B | In3Re | In3 Re1 | 2 | [
1,
1,
1
] | 3 | [
[
10.41208965,
-0.06553808,
-0.03836493
],
[
9.96780569,
3.00977669,
-0.03836493
],
[
9.96780569,
1.44002695,
2.64320828
]
] | agm004431384 | [
[
22.429687513371874,
3.240367578065545,
1.8968589717391315
],
[
15.173850515000002,
2.1921327799999997,
1.28323921
],
[
7.918013516628125,
1.1438979819344548,
0.6696194482608686
],
[
0,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}] | [
"In",
"In",
"In",
"Re"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
7.492406,
0.0972831,
0.05694796
],
[
0.0972831,
6.8330708,
0.00822715
],
[
0.05694796,
0.00822715,
6.8238325
]
] | -18.739048 | [
0,
0,
0,
0.001
] | [
[
-0.00498601,
-0.00072032,
-0.00042166
],
[
0,
0,
0
],
[
0.00498601,
0.00072032,
0.00042166
],
[
0,
0,
0
]
] | 0.000572 | 3.129007 | pbe | true | 1d8315fd832a92605c111f0577580b38_166_In3Re1 |
[
"Hg",
"Li",
"Mg"
] | 4 | A2BC | HgLi2Mg | Hg1 Li2 Mg1 | 3 | [
1,
1,
1
] | 3 | [
[
-3.36453075,
0,
-3.36453075
],
[
3.36453075,
-3.36453075,
0
],
[
-3.36453075,
-3.36453075,
0
]
] | mp-1222646 | [
[
0,
-3.36453075,
0
],
[
-1.682265375,
-1.682265375,
-1.682265375
],
[
-1.682265375,
-5.046796125,
-1.682265375
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached"... | [
"Li",
"Li",
"Mg",
"Hg"
] | 2019-01-12 23:09:10 | [
0.25,
0.5,
0.25
] | [
[
-0.61980145,
0,
0
],
[
0,
-0.61980145,
0
],
[
0,
0,
-0.61980145
]
] | -6.845087 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.103444 | pbe | true | 01c7b571c47542d130c2fd939b0954d9_216_Li2Mg1Hg1 |
[
"Cd",
"Pt",
"Tl"
] | 4 | A2BC | CdPt2Tl | Cd1 Pt2 Tl1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.337901,
3.337901
],
[
3.337901,
0,
3.337901
],
[
3.337901,
3.337901,
0
]
] | oqmd-3325281 | [
[
1.6689500000000008,
1.6689500000000008,
1.6689500000000008
],
[
0,
0,
0
],
[
5.006849999999999,
5.006849999999999,
5.006850000000003
],
[
3.3379000000000016,
3.3379000000000016,
3.3379000000000016
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Tl", "attached"... | [
"Cd",
"Pt",
"Pt",
"Tl"
] | 2024-11-01 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
8.60295,
0,
0
],
[
0,
8.60295,
0
],
[
0,
0,
8.60295
]
] | -15.1704 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00091 | null | pbe | true | e51ff427f3778ce7a21a723cd2c5377c_216_Tl1Cd1Pt2 |
[
"In",
"Sr"
] | 4 | A3B | In3Sr | Sr1 In3 | 2 | [
1,
1,
1
] | 3 | [
[
4.49382056,
0,
0
],
[
-2.24691028,
3.89176276,
0
],
[
0,
0,
7.78546547
]
] | agm004063582 | [
[
0,
0,
0.387917045415126
],
[
0,
0,
3.5048156895848743
],
[
2.246910302469103,
1.2972542403607907,
1.9463663675
],
[
2.246910302469103,
1.2972542403607907,
5.8390991025000005
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"In",
"In",
"In",
"Sr"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
2.9868662,
0,
0
],
[
0,
2.9868662,
0
],
[
0,
0,
2.685588
]
] | -10.56246 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00237066
],
[
0,
0,
0.00237066
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 1.885227 | pbe | true | 9cb6d963cc151af07ff20b4e4831b5e6_187_Sr1In3 |
[
"Be",
"Cl",
"Pd"
] | 4 | A2BC | BeClPd2 | Be1 Pd2 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.06380679,
3.06380679
],
[
3.06380679,
0,
3.06380679
],
[
3.06380679,
3.06380679,
0
]
] | agm002644890 | [
[
0,
0,
0
],
[
1.531903395,
1.531903395,
1.531903395
],
[
4.595710185,
4.595710185,
4.595710185
],
[
3.06380679,
3.06380679,
3.06380679
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pd", "attached"... | [
"Be",
"Pd",
"Pd",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.597447,
0,
0
],
[
0,
4.597447,
0
],
[
0,
0,
4.597447
]
] | -15.245001 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.291617 | pbe | true | 58d48cd04fdb54f3c35e9c12fda2e74a_225_Be1Pd2Cl1 |
[
"Cd",
"Pt",
"W"
] | 4 | A2BC | CdPtW2 | Cd1 Pt1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
5.41926728,
0.01047951,
0.00971984
],
[
2.38277252,
4.86733631,
-0.00971984
],
[
-3.30799556,
-3.38744723,
2.63648037
]
] | agm003810420 | [
[
4.4341439233947035,
1.4529190614856335,
2.63648037
],
[
3.2140288198590596,
-0.3390619658208458,
1.323100105
],
[
1.363724363379518,
1.8817651783133662,
1.3133802650000002
],
[
3.877211351387116,
2.4240228648000044,
-7.616650315149798e-20
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Pt", "attached": ... | [
"W",
"W",
"Pt",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
6.507415,
0.13870052,
-0.08902707
],
[
0.13870052,
6.372279,
0.142398
],
[
-0.08902707,
0.142398,
6.4267325
]
] | -31.334525 | [
0,
0,
0,
0
] | [
[
0.00922317,
0.0057663,
0
],
[
-0.00946895,
-0.00591996,
0
],
[
0.00003651,
0.00002283,
0
],
[
0.00020928,
0.00013084,
0
]
] | -0.000009 | 2.544204 | pbe | true | 60ed40b55345fa89ef3eb8b13da9d9d8_44_Cd1Pt1W2 |
[
"Cd",
"Pt",
"Y"
] | 16 | A12B3C | CdPt12Y3 | Y3 Cd1 Pt12 | 3 | [
1,
1,
1
] | 3 | [
[
4.11373561,
0,
0
],
[
0,
4.11373561,
0
],
[
0,
0,
16.3698585
]
] | agm005870654 | [
[
0,
0,
4.04583639265143
],
[
0,
0,
8.18492925
],
[
0,
0,
12.324022107348569
],
[
0,
0,
0
],
[
2.056867805,
2.056867805,
0
],
[
2.056867805,
2.056867805,
4.042958735225715
],
[
2.056867805,
2.056867805,
8.184... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Y",
"Cd",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.0625,
0.75,
0.1875
] | [
[
6.210906,
0,
0
],
[
0,
6.210906,
0
],
[
0,
0,
5.847373
]
] | -105.476883 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00214363
],
[
0,
0,
0
],
[
0,
0,
-0.00214363
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00582259
],
[
0,
0,
0
],
[
0,
0,
-0.00582259
],
[
0,
0,
-0.00241826
],
[
0... | 0.000116 | 15.708858 | pbe | true | 590f519429b7374252820ac460355d98_123_Y3Cd1Pt12 |
[
"Cd",
"Pt",
"Zn"
] | 3 | ABC | CdPtZn | Zn1 Cd1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.45379573,
0,
0
],
[
-2.22689786,
3.85710024,
0
],
[
0,
0,
2.9561472
]
] | agm003159267 | [
[
-1.8935645142904763e-8,
2.571400172857001,
1.477847661669504
],
[
2.2268978889356457,
1.285700067142999,
1.478607864483456
],
[
0,
0,
2.9558388738470405
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Pt",
"Cd"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
7.5011287,
0,
0
],
[
0,
7.5011287,
0
],
[
0,
0,
6.7455015
]
] | -9.178485 | [
0,
0,
0
] | [
[
0,
0,
-0.00022784
],
[
0,
0,
-0.0015544
],
[
0,
0,
0.00178224
]
] | 0.000002 | 1.25332 | pbe | true | 86289b5154e6eba414f2275b35e2be5f_187_Zn1Cd1Pt1 |
[
"K",
"S",
"Sn",
"Tb"
] | 12 | A3BCD | KS3SnTb | K1 S3 Sn1 Tb1 | 4 | [
1,
1,
1
] | 3 | [
[
1.991485054,
-8.212865484,
0
],
[
1.991485054,
8.212865484,
0
],
[
0,
0,
11.277251235
]
] | oqmd-7486282 | [
[
1.99149,
-2.857989999999999,
2.81931
],
[
1.99149,
2.857989999999999,
8.45794
],
[
1.99149,
1.8562900000000004,
0.04950999999999999
],
[
1.99149,
-7.989469999999997,
2.81931
],
[
1.99149,
1.8562900000000004,
5.58911
],
[
1.99149,
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": nu... | [
"K",
"K",
"S",
"S",
"S",
"S",
"S",
"S",
"Sn",
"Sn",
"Tb",
"Tb"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.5,
0.16666666666666666,
0.16666666666666666
] | [
[
3.39494619,
0,
0
],
[
0,
4.00187491,
0
],
[
0,
0,
3.97091765
]
] | -59.4108 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.007924,
0
],
[
0,
-0.007924,
0
],
[
0,
0.006606,
-0.014842
],
[
0,
0.023259,
0
],
[
0,
0.006606,
0.014842
],
[
0,
-0.006606,
-0.014842
],
[
0,
-0.023259,
0
],
[
0,
-0.006606,
0.014842
... | -0.00636 | null | pbe | true | 8844e7c0210436170d1bc83eb71766a3_63_K2Tb2Sn2S6 |
[
"O",
"Pm",
"Se",
"Tb"
] | 7 | A2B2C2D | O2Pm2Se2Tb | Tb1 Pm2 Se2 O2 | 4 | [
1,
1,
1
] | 3 | [
[
4.33779572,
0,
0
],
[
0,
4.33779572,
0
],
[
-2.16889786,
-2.16889786,
7.76816264
]
] | agm004540350 | [
[
0,
0,
0
],
[
-0.0000021905868384515433,
0.0000021472088812817074,
5.7941688082047555
],
[
2.1689000505868385,
2.1688957127911186,
1.9739938317952441
],
[
-2.1688978558987128e-8,
-2.1688978558987128e-8,
2.822294903494063
],
[
2.1688978816889786,
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Se", "attached": ... | [
"Tb",
"Pm",
"Pm",
"Se",
"Se",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.2857142857142857,
0.2857142857142857,
0.14285714285714285
] | [
[
-0.13301659,
0,
0
],
[
0,
-0.13301659,
0
],
[
0,
0,
-0.05189338
]
] | -47.272241 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
-0.00027636
],
[
0,
0,
0.00027636
],
[
0,
0,
0.00012233
],
[
0,
0,
-0.00012233
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000124 | 2.908105 | pbe | true | c931e4dcac4f85a9ab357948371fd247_139_Tb1Pm2Se2O2 |
[
"O",
"Pm",
"Te",
"Tl"
] | 12 | A8B2CD | O8PmTe2Tl | Pm1 Tl1 Te2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
6.09463263,
0.00005641,
0
],
[
-3.04736517,
5.27807848,
0
],
[
0,
0,
7.92595617
]
] | agm004874573 | [
[
0,
0,
3.962978085
],
[
0,
0,
0
],
[
3.0473000604733262,
1.7593970824065928,
1.824236249117281
],
[
-0.000032600473325844874,
3.5187378075934066,
6.1017199208827195
],
[
-0.000032600473325844874,
3.5187378075934066,
7.919576330100082
],
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached": ... | [
"Pm",
"Tl",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.08333333333333333,
0.16666666666666666,
0.08333333333333333
] | [
[
0.6531836,
0.00000811,
0
],
[
-0.00000811,
0.6531836,
0
],
[
0,
0,
0.67393476
]
] | -69.700484 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00094014
],
[
0,
0,
-0.00094014
],
[
0,
0,
0.00303286
],
[
0.00138075,
-0.00113595,
-0.00201952
],
[
0.00029339,
0.00176374,
-0.00201952
],
[
0,
0,
-0.00303... | 0 | 0 | pbe | true | 860d0a7d368b0110dfc53c692f296f8b_147_Pm1Tl1Te2O8 |
[
"K",
"S",
"Sn",
"Zn"
] | 32 | A17B6C5D4 | K6S17Sn5Zn4 | K6 S17 Sn5 Zn4 | 4 | [
1,
1,
1
] | 3 | [
[
-0.02185294,
0.02185292,
-9.88145756
],
[
-7.00250436,
7.00250435,
-4.9715645
],
[
7.01773184,
6.99587891,
4.94072831
]
] | mp-1223803 | [
[
-0.0045000621322217604,
7.019857223086307,
-7.426511314694105
],
[
1.1592708458606116,
1.1811237758606117,
-4.9407288584940785
],
[
3.401276849494975,
3.6666904992290013,
-2.4424825228433984
],
[
-3.335813855828568,
10.403781204437406,
-2.529082451259204... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": nu... | [
"K",
"K",
"K",
"K",
"K",
"K",
"Zn",
"Zn",
"Zn",
"Zn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2019-01-13 00:08:50 | [
0.1875,
0.53125,
0.15625,
0.125
] | [
[
0.00658715,
0.00628743,
0.06709304
],
[
0.00628743,
0.00658715,
-0.06709304
],
[
0.06709306,
-0.06709306,
-0.71571527
]
] | -127.82518 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.01462046,
0.01462046,
0
],
[
-0.01517882,
-0.01517882,
0
],
[
0.07983527,
0.13654602,
0.08444582
],
[
0.13654602,
0.07983527,
-0.08444583
],
[
-0.03168308,
-0.03168308,
0
],
[
0.0089163,
0.0089163,
0
],
[
0.00235... | 0 | 0.947187 | pbe | true | d3c75c307a45755c76f8512afbbe91e8_5_K6Zn4Sn5S17 |
[
"O",
"Pt",
"Sm",
"Sr"
] | 10 | A6B2CD | O6PtSmSr2 | Sr2 Sm1 Pt1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.96293589,
0,
0
],
[
2.98146795,
5.16405396,
0
],
[
2.98146795,
1.72135132,
4.86871677
]
] | agm002230391 | [
[
5.962935897652315,
5.268929079376373,
3.7256954856694224
],
[
7.544494385137893,
2.5295894203118134,
3.7256954856694224
],
[
4.381377404862106,
4.355815859688187,
1.1430212843305771
],
[
7.544494385137893,
4.355815859688187,
1.1430212843305771
],
[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Sr", "attached": ... | [
"O",
"O",
"O",
"O",
"O",
"O",
"Sr",
"Sr",
"Sm",
"Pt"
] | 2023-11-16 06:57:59 | [
0.6,
0.1,
0.1,
0.2
] | [
[
0.545432,
0,
0
],
[
0,
0.545432,
0
],
[
0,
0,
0.545432
]
] | -65.353491 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00299222,
0.00211582
],
[
0.00259134,
-0.00149611,
0.00211582
],
[
-0.00259134,
0.00149611,
-0.00211582
],
[
0.00259134,
0.00149611,
-0.00211582
],
[
0,
-0.00299222,
-0.00211582
],
[
-0.00259134,
-0.00149611,
0.002115... | 0 | 6.747877 | pbe | true | 3ceaad3d35796fa8348bb8a5d8c1df36_225_Sr2Sm1Pt1O6 |
[
"K",
"S",
"Sr",
"Tl"
] | 12 | ABCD | KSSrTl | K3 Sr3 Tl3 S3 | 4 | [
1,
1,
1
] | 3 | [
[
4.23914266,
0,
0
],
[
-2.11957133,
3.67120524,
0
],
[
0,
0,
28.47111798
]
] | agm002130191 | [
[
0,
0,
24.816897534034027
],
[
-2.1195713406595083e-8,
2.4474701722373506,
15.326534364406687
],
[
2.119571351195713,
1.223735067762649,
5.836142723661367
],
[
0,
0,
4.359333022035675
],
[
-2.1195713406595083e-8,
2.4474701722373506,
23.340... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "K", "attached": n... | [
"S",
"S",
"S",
"Sr",
"Sr",
"Sr",
"Tl",
"Tl",
"Tl",
"K",
"K",
"K"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.2258458,
0,
0
],
[
0,
1.2258458,
0
],
[
0,
0,
1.1405016
]
] | -38.548189 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00146606
],
[
0,
0,
-0.00146606
],
[
0,
0,
-0.00146606
],
[
0,
0,
-0.00245661
],
[
0,
0,
-0.00245661
],
[
0,
0,
-0.00245661
],
[
0,
0,
0.00156174
],
[
0,
0,
0.00156174
],
[
... | -0.000006 | 7.570783 | pbe | true | a2859dc89ae3ee0c93bf0d03921be812_160_K3Sr3Tl3S3 |
[
"Be",
"Co",
"Ir"
] | 4 | A2BC | BeCo2Ir | Be1 Co2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.40642292,
0.00152282,
0
],
[
1.70187648,
4.06450264,
0
],
[
-3.05415077,
-2.03301344,
2.44040666
]
] | agm004091785 | [
[
2.2032109249999996,
0.0007610549999998995,
1.22020333
],
[
0.850937705,
2.0322509650000002,
1.22020333
],
[
0,
0,
0
],
[
3.0541497,
2.03301273,
0
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached"... | [
"Be",
"Ir",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.9202802,
0.16681343,
-0.00000161
],
[
0.16681343,
3.7807205,
-0.00000107
],
[
-0.00000161,
-0.00000107,
3.6696744
]
] | -27.253869 | [
0,
0,
0.009,
0.009
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.017271 | 4.188988 | pbe | true | b843bcede25408b2f5235f295fcddd35_139_Be1Co2Ir1 |
[
"Hg",
"Li",
"Tl"
] | 3 | ABC | HgLiTl | Li1 Tl1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
6.25679643,
-0.11112221,
0.11964736
],
[
5.35848075,
3.23226488,
0.11703591
],
[
0.89831537,
0.24408388,
3.33446662
]
] | agm003159578 | [
[
8.150157309679122,
2.1909020142940205,
1.2382908926023406
],
[
11.343868309261396,
3.0482806694840945,
0.3151351933065857
],
[
4.634844227212254,
1.2471865674333118,
2.2544070764579067
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Li", "attached"... | [
"Tl",
"Hg",
"Li"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.957492,
-0.04639103,
0.04994962
],
[
-0.04639103,
5.1148367,
0.01061891
],
[
0.04994962,
0.01061891,
5.1132655
]
] | -5.097181 | [
0,
0,
0
] | [
[
-0.00133066,
-0.00035723,
0.00038463
],
[
0.00329885,
0.00088561,
-0.00095355
],
[
-0.0019682,
-0.00052838,
0.00056892
]
] | -0.000005 | 1.511624 | pbe | true | 011b05407cb041aa17b9e72f19375f43_107_Li1Tl1Hg1 |
[
"Hg",
"Mo",
"Se"
] | 4 | A2BC | HgMo2Se | Hg1 Mo2 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.63830371,
0.00548781,
0
],
[
-0.00460226,
4.63830468,
0
],
[
0,
0,
3.1509339
]
] | agm004272348 | [
[
-0.00230113,
2.31915234,
1.57546695
],
[
0,
0,
0
],
[
2.3168507249999997,
2.321896245,
0
],
[
2.319151855,
0.002743905,
1.57546695
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Se", "attached"... | [
"Hg",
"Mo",
"Mo",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
6.591801,
-0.11741804,
0
],
[
-0.11741804,
6.5912905,
0
],
[
0,
0,
6.151865
]
] | -23.043858 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000324 | 4.482328 | pbe | true | 65c1f278d9dbfcf7a6a4d50785df4e5b_123_Hg1Mo2Se1 |
[
"Hg",
"Mo",
"Ta"
] | 4 | A2BC | HgMo2Ta | Ta1 Hg1 Mo2 | 3 | [
1,
1,
1
] | 3 | [
[
2.71221063,
0,
0
],
[
0,
4.45753732,
0
],
[
0,
0,
5.86041716
]
] | agm004231717 | [
[
1.356105315,
2.22876866,
4.39531287
],
[
0,
0,
0.0899522462388992
],
[
0,
0,
2.8402563337611006
],
[
1.356105315,
2.22876866,
1.46510429
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mo", "attached"... | [
"Hg",
"Mo",
"Mo",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
7.967813,
0,
0
],
[
0,
7.424546,
0
],
[
0,
0,
7.782621
]
] | -32.121819 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
-0.00447397
],
[
0,
0,
0.00447397
],
[
0,
0,
0
]
] | -0.000003 | 2.975656 | pbe | true | 52b451a1b8d6578b5a9b27d601680b00_47_Ta1Hg1Mo2 |
[
"K",
"Sb",
"Se",
"Sm"
] | 56 | A8B3C2D | KSb3Se8Sm2 | K4 Sb12 Se32 Sm8 | 4 | [
1,
1,
1
] | 3 | [
[
4.13961035,
0,
0
],
[
0,
17.1350884,
0
],
[
0,
0,
22.31865922
]
] | mp-567322 | [
[
3.1047077625,
5.10173782038892,
5.447316271758361
],
[
1.0349025875,
12.033350579611081,
16.87134294824164
],
[
3.1047077625,
13.66928202038892,
5.71201333824164
],
[
1.0349025875,
3.46580637961108,
16.60664588175836
],
[
3.1047077625,
16.505... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Se", "attached": ... | [
"K",
"K",
"K",
"K",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
... | 2014-02-18 04:06:06 | [
0.07142857142857142,
0.21428571428571427,
0.5714285714285714,
0.14285714285714285
] | [] | -258.434641 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | 3.430651 | pbe | true | d72fc494451ed451ba3c8557d3dbfb93_62_K4Sm8Sb12Se32 |
[
"K",
"Sb",
"Se",
"Th"
] | 40 | A6B2CD | KSb2Se6Th | K4 Sb8 Se24 Th4 | 4 | [
1,
1,
1
] | 3 | [
[
4.29645477,
0,
-0.18159221
],
[
0,
15.31653242,
0
],
[
-0.05362713,
0,
17.29390385
]
] | mp-568904 | [
[
1.100421613556681,
10.92482859316507,
11.588469556304727
],
[
1.127235178556681,
12.049970036834928,
2.941517631304726
],
[
3.14240602644332,
4.391703826834929,
5.523842083695274
],
[
3.1155924614433195,
3.266562383165071,
14.170794008695273
],
[
... | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Se", "attached": ... | [
"K",
"K",
"K",
"K",
"Th",
"Th",
"Th",
"Th",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Sb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2014-02-18 16:23:55 | [
0.1,
0.2,
0.6,
0.1
] | [] | -187.41583 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | 4.033773 | pbe | true | e2ff2d0de8693bb0ec51dddd485d4597_14_K4Th4Sb8Se24 |
[
"Hg",
"Na",
"V"
] | 4 | A2BC | HgNa2V | Na2 V1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.63946619,
3.63946619
],
[
3.63946619,
0,
3.63946619
],
[
3.63946619,
3.63946619,
0
]
] | agm002710157 | [
[
1.819733095,
1.819733095,
1.819733095
],
[
5.4591992849999995,
5.4591992849999995,
5.4591992849999995
],
[
3.63946619,
3.63946619,
3.63946619
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "V", "attached":... | [
"Na",
"Na",
"Hg",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.608613,
0,
0
],
[
0,
2.608613,
0
],
[
0,
0,
2.608613
]
] | -9.72143 | [
0.015,
0.015,
0.023,
3.143
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.237045 | 4.733757 | pbe | true | f4d278dd692a1298bd65d5be7cf4b8cd_225_Na2V1Hg1 |
[
"Hg",
"Nb",
"Rb"
] | 3 | ABC | HgNbRb | Rb1 Nb1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.8078897,
3.8078897
],
[
3.8078897,
0,
3.8078897
],
[
3.8078897,
3.8078897,
0
]
] | agm003134592 | [
[
5.71183455,
5.71183455,
5.71183455
],
[
0,
0,
0
],
[
1.90394485,
1.90394485,
1.90394485
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rb", "attached"... | [
"Nb",
"Hg",
"Rb"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.2371948,
0,
0
],
[
0,
2.2371948,
0
],
[
0,
0,
2.2371948
]
] | -7.317799 | [
2.833,
0.069,
0.04
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.014678 | 0.560708 | pbe | true | 3b0bfa9ac9cb91a51ed83faa7af0bb77_216_Rb1Nb1Hg1 |
[
"O",
"Rh",
"Sr",
"Te"
] | 10 | A6B2CD | O6RhSr2Te | Sr2 Te1 Rh1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.03972234,
0,
0.12529287
],
[
0,
5.46967803,
0
],
[
-1.93468984,
-2.73483901,
5.15730345
]
] | agm004934613 | [
[
0.20080829322038612,
0.0000027371416624341706,
2.4022335475363903
],
[
2.9042242067796136,
2.734836282858337,
2.8803627724636094
],
[
0,
2.734839015,
0
],
[
2.51986117,
0,
0.062646435
],
[
0.6744607403387801,
2.7348417242203733,
1.8175747... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rh", "attached": ... | [
"Sr",
"Sr",
"Te",
"Rh",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6,
0.1,
0.2,
0.1
] | [
[
1.2096314,
0,
0.03066797
],
[
0,
1.2145004,
0
],
[
0.03066814,
0,
0.6571584
]
] | -61.0078 | [
0.002,
0.002,
-0.009,
0.745,
-0.003,
0.055,
0.055,
0.055,
0.055,
-0.003
] | [
[
-0.00124599,
0,
0.00443892
],
[
0.00124599,
0,
-0.00443892
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00085196,
0,
0.0018029
],
[
-0.00142038,
-0.00151546,
0.00034019
],
[
0.00142038,
-0.00151546,
-0.00034019
],
... | 1.012531 | 3.160613 | pbe | true | b0d0ae8e3ce9d5c283c3e2eca220647c_12_Sr2Te1Rh1O6 |
[
"O",
"Sr",
"Tc",
"Y"
] | 12 | A8B2CD | O8SrTc2Y | Sr1 Y1 Tc2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
5.91295803,
9e-7,
0
],
[
-2.95647979,
5.12077141,
0
],
[
0,
0,
7.17603456
]
] | agm004877070 | [
[
0,
0,
0
],
[
0,
0,
3.58801728
],
[
2.95647878623146,
1.7069243862640981,
1.5085375892427648
],
[
-5.46231459432501e-7,
3.4138479237359016,
5.667496970757235
],
[
-5.46231459432501e-7,
3.4138479237359016,
0.257951891104128
],
[
1.4... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Y",
"Tc",
"Tc",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.08333333333333333,
0.16666666666666666,
0.08333333333333333
] | [
[
0.63845944,
-0.00000471,
0
],
[
0.00000471,
0.63845944,
0
],
[
0,
0,
0.88886976
]
] | -93.078406 | [
0.009,
0.067,
0.98,
0.98,
0.127,
0.062,
0.062,
0.127,
0.062,
0.062,
0.062,
0.062
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00381264
],
[
0,
0,
0.00381264
],
[
0,
0,
-0.00211847
],
[
-0.00302264,
-0.00294482,
0.00319379
],
[
0.0040616,
-0.00114527,
0.00319379
],
[
0,
0,
0.002118... | 3.001684 | 8.561862 | pbe | true | ca0d1aa8c2a11e680ebc543d89f2c782_164_Sr1Y1Tc2O8 |
[
"Hg",
"Pb",
"Pt"
] | 3 | ABC | HgPbPt | Hg1 Pt1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
6.55670073,
0.06806222,
-0.00146959
],
[
4.763775,
4.50570803,
0.00146951
],
[
-5.75537485,
-2.05140748,
2.37956832
]
] | agm004198120 | [
[
0.286980852040938,
0.11594782009965,
-2.028047999999959e-9
],
[
3.49494194452406,
1.4120485633814701,
-2.469819839997056e-8
],
[
1.7831779702302448,
0.9943663407811778,
2.379568266726247
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pt", "attached"... | [
"Hg",
"Pb",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
6.6133747,
-0.18211693,
0.8577212
],
[
-0.18211693,
6.9905443,
-2.122917
],
[
0.8577212,
-2.122917,
7.5500565
]
] | -10.071345 | [
0,
0,
0
] | [
[
0.00396246,
0.00160094,
0
],
[
-0.01603474,
-0.00647846,
0
],
[
0.01207228,
0.00487752,
0
]
] | 0 | 0.822496 | pbe | true | 84ec98d72e74f5b9e4e34aad62f8005f_44_Hg1Pt1Pb1 |
[
"O",
"Sr",
"U",
"Zn"
] | 10 | A6B2CD | O6Sr2UZn | Sr2 U1 Zn1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.88303256,
0,
-0.33923328
],
[
0,
5.82990508,
0
],
[
-2.75975445,
-2.91495254,
4.33571596
]
] | agm004935009 | [
[
0.005100755212604366,
0.000002914952540007431,
2.1133734037655763
],
[
3.1181773547873957,
2.9149496250474596,
1.883109276234424
],
[
0,
2.91495254,
0
],
[
2.94151628,
0,
-0.16961664
],
[
0.5986479498603493,
2.91495545495254,
1.9854294938... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Sr", "attached": nu... | [
"Sr",
"Sr",
"U",
"Zn",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.1,
0.1
] | [
[
0.49963498,
0,
0.00845846
],
[
0,
0.64239234,
0
],
[
0.00845845,
0,
0.78307015
]
] | -73.384068 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00213262,
0,
0.00062426
],
[
0.00213262,
0,
-0.00062426
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00230709,
0,
-0.00367692
],
[
0.00100095,
-0.00149663,
-0.00266405
],
[
-0.00100095,
-0.00149663,
0.00266405
],
... | 0 | 0 | pbe | true | e1f7f91af05e65cbe720fc2652276c5c_12_Sr2U1Zn1O6 |
[
"P",
"Pd",
"Sn",
"Sr"
] | 10 | A2BCD | PPd2SnSr | P1 Pd2 Sn1 Sr1 | 4 | [
1,
1,
1
] | 3 | [
[
4.396094183,
0,
0
],
[
0,
4.396094183,
0
],
[
0,
0,
10.694190255
]
] | oqmd-9947547 | [
[
0,
2.1980500000000003,
1.24009
],
[
2.1980500000000003,
0,
9.4541
],
[
0,
0,
0
],
[
2.1980500000000003,
2.1980500000000003,
0
],
[
0,
2.1980500000000003,
3.63529
],
[
2.1980500000000003,
0,
7.0589
],
[
0,
0,
... | [{"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sn", "attached": ... | [
"P",
"P",
"Pd",
"Pd",
"Pd",
"Pd",
"Sn",
"Sn",
"Sr",
"Sr"
] | 2024-11-01 00:00:00 | [
0.2,
0.4,
0.2,
0.2
] | [
[
2.92592015,
0,
0
],
[
0,
2.92592015,
0
],
[
0,
0,
1.28108092
]
] | -50.5799 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.024005
],
[
0,
0,
-0.024005
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.006306
],
[
0,
0,
0.006306
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.003713
],
[
0,
0,
... | null | null | pbe | true | d70fdce7635e4c77f0f1ef3741b62d66_129_Sr2Sn2P2Pd4 |
[
"Be",
"Co",
"Ru"
] | 4 | A2BC | BeCoRu2 | Be1 Co1 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
4.58959611,
-0.0051779,
0
],
[
1.921668,
4.1679265,
0
],
[
-3.25563066,
-2.08137341,
2.47652438
]
] | agm004111941 | [
[
0,
0,
0
],
[
0.9608346975,
2.0839636950000004,
1.23826219
],
[
2.2947987525,
-0.002588504999999852,
1.23826219
],
[
3.2556320549999995,
2.0813743000000002,
0
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Be", "attached"... | [
"Ru",
"Ru",
"Co",
"Be"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.5414345,
-0.04921767,
0.00000147
],
[
-0.04921767,
2.586954,
9.4e-7
],
[
0.00000147,
9.4e-7,
2.6184251
]
] | -29.249111 | [
0.015,
0.109,
0.438,
-0.007
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.550696 | 5.056984 | pbe | true | 5a756fb8517945c79abdced585f9def1_119_Be1Co1Ru2 |