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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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1
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0.002... | 0 | 4.955573 | pbe | true | 8ac7de496a06f27d9c845c8890392415_127_Al4In2Os4 |
[
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1,
1,
1
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0.00360382,... | -0 | -0.000017 | pbe | true | 2ff7ba1e7f4a6e91579a0ac1062725a1_1_K4Al2Se4 |
[
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1
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1.86... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached"... | [
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... | -0.000002 | 8.331059 | pbe | true | f1e56159a300e3beb840263227c7459a_189_La6Al2Ni1 |
[
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1,
1,
1
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[
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1,
1,
1
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[
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] | -13.692996 | [
0,
0,
0
] | [
[
0,
0,
0.00226582
],
[
0,
0,
0.00375051
],
[
0,
0,
-0.00601633
]
] | -0.000025 | 2.027254 | pbe | true | d8b89dfdfe29db1a46c75ac6150124d9_107_Sm1Lu1Al1 |
[
"Al",
"Mg",
"Rh"
] | 8 | A2BC | AlMgRh2 | Mg2 Al2 Rh4 | 3 | [
1,
1,
1
] | 3 | [
[
6.74798032,
0,
0
],
[
0,
6.74798032,
0
],
[
3.37399016,
3.37399016,
2.84668767
]
] | agm002853370 | [
[
3.37399016,
3.37399016,
0
],
[
3.37399016,
6.74798032,
1.423343835
],
[
5.2485470399894805,
1.68699508,
0.7116719175
],
[
1.49943328001052,
5.060985239999999,
0.7116719175
],
[
5.06098524,
4.873423440010519,
2.1350157525
],
[
8.43... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached"... | [
"Mg",
"Mg",
"Rh",
"Rh",
"Rh",
"Rh",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
6.331247,
0,
0
],
[
0,
6.331247,
0
],
[
0,
0,
7.747879
]
] | -42.184275 | [
0,
0,
0,
0,
0,
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0.00567695,
0,
0
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[
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[
0,
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0
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[
0,
0.00567695,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 5.707164 | pbe | true | 6b91603e8a10107ea206c4114e1772f5_122_Mg2Al2Rh4 |
[
"Al",
"Mg",
"Tl"
] | 5 | A2B2C | Al2MgTl2 | Mg1 Al2 Tl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.79924536,
0,
0
],
[
0,
3.79924536,
0
],
[
1.89962268,
1.89962268,
8.66884243
]
] | agm002932552 | [
[
0,
0,
0
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[
1.8996226989962268,
1.8996226989962268,
1.8316014874395836
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[
3.799245341003773,
3.799245341003773,
6.837240942560416
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[
3.79924536,
1.89962268,
4.334421215
],
[
1.89962268,
3.79924536,
4.334421215
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached"... | [
"Mg",
"Tl",
"Tl",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
4.5319276,
0,
0
],
[
0,
4.5319276,
0
],
[
0,
0,
2.0322998
]
] | -12.835965 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0.01276541
],
[
0,
0,
-0.01276541
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.745329 | pbe | true | 644e043a510e5b97935007306f89b268_139_Mg1Al2Tl2 |
[
"Al",
"N",
"Pd"
] | 8 | A2BC | AlNPd2 | Al2 Pd4 N2 | 3 | [
1,
1,
1
] | 3 | [
[
4.81818368,
0,
0
],
[
0,
4.81818368,
0
],
[
2.40909184,
2.40909184,
5.77774918
]
] | agm002860689 | [
[
0,
0,
0
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[
4.81818368,
2.40909184,
2.88887459
],
[
3.136073125461888,
1.20454592,
1.444437295
],
[
1.6821105545381116,
3.61363776,
1.444437295
],
[
3.6136377599999996,
4.0912023945381115,
4.333311885
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[
6.0227296,
5.545164... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "N", "attached":... | [
"Al",
"Al",
"Pd",
"Pd",
"Pd",
"Pd",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
-0.18715116,
0
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[
0,
0,
0.74966633
]
] | -42.495769 | [
0,
0,
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0,
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0,
0
] | [
[
0,
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0
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[
0,
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[
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[
0.02705891,
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[
0,
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0
],
[
0,
-0.02705891,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.512648 | pbe | true | 4afb83a0e9dcddec153c384ab296af57_122_Al2Pd4N2 |
[
"Al",
"N",
"Zr"
] | 8 | A2BC | AlNZr2 | Zr4 Al2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
3.26213713,
-0.00001079,
0
],
[
-1.63104832,
2.82510531,
0
],
[
0,
0,
14.42921894
]
] | agm003264948 | [
[
-0.000035157907324502717,
1.883428034404421,
10.821914205
],
[
1.6311239679073248,
0.941666485595579,
3.607304735
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[
0,
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0
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[
0,
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[
0.000011669877432051274,
1.883400998043344,
1.2841007797571247
],
[
1.631077... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "N", "attached":... | [
"Al",
"Al",
"N",
"N",
"Zr",
"Zr",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.3107527,
-0.0005366,
0
],
[
-0.0005366,
0.3101331,
0
],
[
0,
0,
0.36026517
]
] | -66.967983 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00011937,
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0
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[
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0
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[
0,
0,
0
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[
0,
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[
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[
-0.00005863,
0.00003385,
0.00289216
],
[
-0.00005863,
0.00003385,
-0.002892... | 0.000003 | 3.764512 | pbe | true | 90b6839d27260af39c202578e34c241a_194_Zr4Al2N2 |
[
"Al",
"Na",
"Pm"
] | 10 | A5B4C | Al4NaPm5 | Na1 Pm5 Al4 | 3 | [
1,
1,
1
] | 3 | [
[
3.66859555,
0,
0
],
[
0,
3.66859555,
1e-8
],
[
0,
-9.4e-7,
20.16843328
]
] | agm006049112 | [
[
0,
0,
0
],
[
1.834297775,
1.8342976517890581,
2.6435868763396413
],
[
1.834297775,
1.8342974781994932,
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[
1.834297775,
1.834297305,
10.084216645
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[
1.834297775,
1.8342971318005068,
13.800346881951077
],
[
1.8... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pm", "attached"... | [
"Na",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.4,
0.1,
0.5
] | [
[
0.3935965,
0,
0
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[
0,
0.3935965,
-1e-8
],
[
0,
-1e-8,
0.29918244
]
] | -42.653857 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
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[
0,
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[
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[
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[
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[
0,
0,
-0.00261327
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[
0,
0,
0.00154531
],
[
0,
0,
-0.0015... | -0.000022 | 3.601058 | pbe | true | de8fc3f0bee2a3fcb2f23995faaa8c6c_123_Na1Pm5Al4 |
[
"Al",
"Ni",
"Si"
] | 16 | A2BC | AlNiSi2 | Al4 Si8 Ni4 | 3 | [
1,
1,
1
] | 3 | [
[
4.82357286,
0,
0
],
[
0,
6.62905658,
0
],
[
0,
0,
7.99348168
]
] | agm005523603 | [
[
3.922120989602215,
2.7233479635465474,
6.810038324120237
],
[
1.5103345596022149,
3.9057086164534525,
1.183443355879764
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[
3.922120989602215,
6.037876253546548,
5.180184195879764
],
[
1.5103345596022149,
0.5911803264534528,
2.813297484120236
],
[
... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Si", "attached"... | [
"Ni",
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"Ni",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-2.6970649,
0,
0
],
[
0,
-2.7171881,
0
],
[
0,
0,
-2.6338062
]
] | -83.028443 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
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0.01143898
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[
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[
-0.00303854,
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-0.01143898
],
[
-0.00004629,
0.00207383,
-0.00129956
],
[
-0.00004629,
-0.... | 0 | 3.831454 | pbe | true | f183d43a3f3862f4936b5c4464e61ae2_33_Al4Si8Ni4 |
[
"Al",
"O",
"Sc"
] | 10 | A3BC | AlOSc3 | Sc6 Al2 O2 | 3 | [
1,
1,
1
] | 3 | [
[
4.79335001,
0,
0
],
[
0,
4.79335001,
0
],
[
2.39667501,
2.39667501,
10.70685172
]
] | agm003129551 | [
[
3.6835096614501683,
4.793350035257543,
2.764066599922412
],
[
2.3966749847424564,
3.506515358549832,
7.942785120077587
],
[
2.3966749847424564,
6.080184668868581,
7.942785120077587
],
[
1.1098403511314185,
4.793350035257543,
2.764066599922412
],
[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Al",
"Al",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
-0.05496811,
0,
0
],
[
0,
-0.05496811,
0
],
[
0,
0,
1.5905102
]
] | -54.806213 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.04557728,
0,
0.0009805
],
[
0,
-0.04557728,
-0.0009805
],
[
0,
0.04557728,
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[
-0.04557728,
0,
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[
0,
0,
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[
0,
0,
-0.00503818
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[
0,
0,
0
],
[
0,
0,
0
... | 0.00042 | 10.52372 | pbe | true | d23844a5dee26f48c5c3a42b0e442f66_119_Sc6Al2O2 |
[
"Al",
"O",
"Ti"
] | 10 | A6B3C | Al3O6Ti | Ti1 Al3 O6 | 3 | [
1,
1,
1
] | 3 | [
[
4.91407666,
-2.1e-7,
0
],
[
2.45703851,
4.25571512,
0
],
[
2.45703839,
1.41857163,
4.44953024
]
] | agm003568409 | [
[
7.371115145429616,
4.255714892960648,
1.904600639925779
],
[
4.914076755429616,
2.837143252839545,
4.210193212052173
],
[
4.914076755429616,
2.8371432588047196,
0.22885976358700158
],
[
2.457038365429616,
1.4185716187524517,
2.488509957088742
],
[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ti", "attached": ... | [
"Ti",
"Al",
"Al",
"Al",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.3,
0.6,
0.1
] | [
[
0.43875912,
-0.00000917,
0
],
[
0.00000917,
0.43875912,
0
],
[
0,
0,
0.81284636
]
] | -77.703959 | [
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0.008,
0.004,
0.001,
-0.004,
-0.004,
-0.004,
-0.003,
-0.003,
-0.003
] | [
[
0,
0,
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[
0,
0,
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[
0,
0,
0.00186135
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[
0,
0,
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[
0.00228845,
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[
-0.00312485,
0.00083834,
-0.00110446
],
[
0.0008364,
-0.00312537,
-0.001104... | 1.000014 | 4.705599 | pbe | true | cfc5ad42ae33839fb75054c81dde5f5b_146_Ti1Al3O6 |
[
"Al",
"Pd",
"Pt"
] | 20 | A3BC | AlPdPt3 | Al4 Pd4 Pt12 | 3 | [
1,
1,
1
] | 3 | [
[
4.06464141,
0,
0
],
[
0,
8.94898583,
0
],
[
0,
0,
8.69615334
]
] | agm005729047 | [
[
1.0161603525,
1.2402863914161577,
5.809265662067847
],
[
3.0484810575,
3.2342065235838424,
1.4611889920678471
],
[
3.0484810575,
7.708699438583842,
2.886887677932153
],
[
1.0161603525,
5.714779306416157,
7.234964347932154
],
[
1.0161603525,
2... | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached"... | [
"Al",
"Al",
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"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
7.2323456,
0,
0
],
[
0,
7.8261085,
0
],
[
0,
0,
7.7440233
]
] | -116.368139 | [
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0,
0,
0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00333474,
0.00074432
],
[
0,
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0.00074432
],
[
0,
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],
[
0,
0.00333474,
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[
0,
0.00722897,
0.00352652
],
[
0,
-0.00722897,
0.00352652
],
[
0,
-0.00722897,
... | 0 | 18.591736 | pbe | true | 993c2b2e91fcc47a8109895195dfdf51_62_Al4Pd4Pt12 |
[
"Al",
"Pd",
"Tb"
] | 18 | A6B2C | AlPd2Tb6 | Tb12 Al2 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
8.02633181,
-0.09390567,
-2.9291406
],
[
-4.29859251,
7.00395383,
-2.3403843
],
[
-0.08968075,
0.09390669,
8.54364177
]
] | agm005735353 | [
[
1.1397420405121121,
5.0322282315507865,
3.7628422292865125
],
[
2.4983165094878887,
1.971726618449214,
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],
[
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6.025137488201401
],
[
4.09870341239489,
4.9383220032717166,
-2.751020618201401
],... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached"... | [
"Tb",
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"Tb",
"Tb",
"Tb",
"Tb",
"Al",
"Al",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.6666666666666666
] | [
[
0.89999604,
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],
[
-0.03082035,
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] | -92.82054 | [
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[
0.00335583,
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[
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0.00113163... | 0.000071 | 17.567364 | pbe | true | 09b2bb09b2a5f29f3b385ddd6deb077d_71_Tb12Al2Pd4 |
[
"Al",
"Pd",
"U"
] | 10 | A2B2C | AlPd2U2 | U4 Al2 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
5.90310056,
-0.05721064,
-0.14772536
],
[
-3.01132533,
4.90058261,
0.19628094
],
[
-0.15767707,
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6.58342114
]
] | agm002250264 | [
[
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2.52491221429166,
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4.123106550055708
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[
0.20919718973772766,
2.5672033364606652,
5.722763576191735
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... | [{"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached": ... | [
"U",
"U",
"U",
"U",
"Al",
"Al",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
4.782921,
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[
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[
0.06404974,
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] | -77.06555 | [
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0.607,
0.908,
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0.006,
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[
0.00539088,
0.0010675,
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[
-0.00532811,
-0.00114... | 3.154908 | 17.192377 | pbe | true | 9b87f1d7707e83a24a683034d88bd397_2_U4Al2Pd4 |
[
"Al",
"Pt",
"Y"
] | 11 | A8B2C | Al8PtY2 | Y2 Al8 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.29415905,
0,
0
],
[
0,
4.29415905,
0
],
[
0,
0,
11.21121833
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] | agm005886036 | [
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[
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[
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[
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3.405681794137852
],
[
2.147079525,
2.147079525,
7.8055365358621485
],
... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Pt"
] | 2023-11-16 06:57:59 | [
0.7272727272727273,
0.09090909090909091,
0.18181818181818182
] | [
[
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0,
0
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[
0,
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[
0,
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] | -55.081223 | [
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[
0,
0,
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[
0,
0,
0.0042... | 0.000002 | 2.952007 | pbe | true | e448f01997bef1b11dfd4fe1f4cb023b_123_Y2Al8Pt1 |
[
"Al",
"Pt",
"Zn"
] | 4 | A2BC | AlPtZn2 | Al1 Zn2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.692429,
-0.00256686,
0.00335023
],
[
3.79184141,
2.76420608,
0.00335023
],
[
0.76268414,
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4.59377443
]
] | agm004156336 | [
[
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[
6.960041697199711,
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[
2.290384736581201,
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1.249817695386557
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] | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Zn",
"Al",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.2697859,
3.8381693,
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[
3.8381693,
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[
-5.20945,
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23.230173
]
] | -13.919782 | [
0,
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] | [
[
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[
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[
0.02794818,
0.00909716,
0.00122214
],
[
-0.00891631,
-0.00290227,
-0.00412166
]
] | 0 | 0.646089 | pbe | true | ebc192b4de03bcdaa3af2141c9aaedbf_8_Al1Zn2Pt1 |
[
"Al",
"Rh",
"Ru"
] | 4 | A2BC | AlRh2Ru | Al1 Ru1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
2.7305058,
0.00430938,
0
],
[
-1.28407865,
2.40973495,
0
],
[
0,
0,
8.70611901
]
] | agm004422793 | [
[
0,
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[
0,
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[
0.7232135749999999,
1.207022165,
2.209358176634577
],
[
0.7232135749999999,
1.207022165,
6.543372698055442
]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ru",
"Rh",
"Rh",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
10.214455,
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0
],
[
-0.09119496,
10.116894,
0
],
[
0,
0,
9.805144
]
] | -27.96003 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0.00993705
],
[
0,
0,
-0.01304677
],
[
0,
0,
0.00410385
]
] | 0.000108 | 5.341097 | pbe | true | 1ece2cb2860e3f6719c43d6711e263ac_35_Al1Ru1Rh2 |
[
"Al",
"Ru",
"Ta"
] | 7 | A3B2C2 | Al2Ru3Ta2 | Ta2 Al2 Ru3 | 3 | [
1,
1,
1
] | 3 | [
[
4.24321683,
0.00763957,
-1.17411258
],
[
-2.27888494,
3.76093156,
0.00078992
],
[
-0.2325148,
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7.29500326
]
] | agm005558004 | [
[
2.3418121813813566,
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[
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2.5400222083161665
],
[
1.0269451470486288,
3.203163253918861,
3.581658391683833
],... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Al", "attached"... | [
"Ta",
"Ta",
"Al",
"Al",
"Ru",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.42857142857142855,
0.2857142857142857
] | [
[
5.941519,
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[
0.09174544,
5.9379854,
0.02259585
],
[
-0.02762144,
0.02259591,
5.908182
]
] | -62.105295 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0.0007042,
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[
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[
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[
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[
0,
0,
0
],
[
-0.00471178,
-0.00280623,
-0.01555727
],
... | 0.000001 | 2.414576 | pbe | true | 070207cd1e1bb84fffcd1a47437e968d_12_Ta2Al2Ru3 |
[
"Al",
"S",
"Tm"
] | 7 | A4B2C | AlS4Tm2 | Tm2 Al1 S4 | 3 | [
1,
1,
1
] | 3 | [
[
3.77743751,
0,
0
],
[
0,
6.72442074,
-0.10052691
],
[
-1.88871876,
-3.37170741,
5.88916828
]
] | agm003447915 | [
[
1.888716864024006,
3.436674862340532,
2.584520095616841
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[
0.0000018859759942363156,
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[
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[
1.8887168435037025,
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4.562918731511749
],
[
0.0000019064962974021116,
4.68699... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Tm", "attached": ... | [
"Tm",
"Tm",
"Al",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
] | [
[
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0,
0
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[
0,
0.02208791,
0.03310703
],
[
0,
0.03310696,
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]
] | -40.221855 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00031986,
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],
[
0,
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[
0,
0,
0
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[
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[
0,
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[
0,
-0.00119367,
-0.00550906
],
[
0,
0.00119367,
0.00550906
]
] | -0.000012 | 3.370011 | pbe | true | 53f57f7c76608fc04dafcd3e1c2ec713_12_Tm2Al1S4 |
[
"Al",
"Sc",
"Sr"
] | 4 | A2BC | Al2ScSr | Sr1 Sc1 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
10.03666646,
0.05117861,
0.03019205
],
[
9.41912622,
3.46660557,
0.03019205
],
[
9.41912622,
1.70306364,
3.01957612
]
] | agm003943099 | [
[
7.218729725000001,
1.305211955,
0.769990055
],
[
21.656189175,
3.915635865,
2.309970165
],
[
28.651870257719114,
5.180518597887237,
3.056168605286577
],
[
14.660508092280885,
2.650753132112763,
1.563771724713423
]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sc",
"Sr",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.5115973,
0.01391087,
0.00820651
],
[
0.01391087,
1.4371756,
0.00148381
],
[
0.00820651,
0.00148381,
1.4355358
]
] | -15.270509 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
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[
-0.00032564,
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-0.00003473
],
[
0.00032564,
0.00005888,
0.00003473
]
] | 0.000043 | 3.528364 | pbe | true | 5cd6c7647411214312ac2b5ff5a9a9e2_166_Sr1Sc1Al2 |
[
"Al",
"Tc",
"Zn"
] | 5 | A2B2C | Al2TcZn2 | Al2 Zn2 Tc1 | 3 | [
1,
1,
1
] | 3 | [
[
3.42312978,
0,
0
],
[
-1.71156488,
4.24596307,
-1.25452968
],
[
0,
-2.76072689,
5.83120533
]
] | agm003400313 | [
[
-1.300922158082852e-8,
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4.197505395647077
],
[
1.7115649130092214,
1.9728291112849579,
0.3791702543529228
],
[
1.7115666207855507,
-0.22427485817748027,
2.0974749486887556
],
[
-0.00000172078555039665,
1.7095110381774805,
2.4792007013... | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached"... | [
"Al",
"Al",
"Zn",
"Zn",
"Tc"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
2.962963,
0,
0
],
[
0,
3.4664562,
0.10124353
],
[
0,
0.10124287,
3.1071932
]
] | -21.294748 | [
0,
0,
0,
0,
0
] | [
[
0,
0.00321028,
0.00460715
],
[
0,
-0.00321028,
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],
[
0,
-0.00743851,
-0.00356277
],
[
0,
0.00743851,
0.00356277
],
[
0,
0,
0
]
] | 0.000141 | 2.357246 | pbe | true | 5aa738747cad9526245c7ec0249353c9_12_Al2Zn2Tc1 |
[
"Al",
"Tl",
"Y"
] | 4 | A2BC | AlTl2Y | Y1 Al1 Tl2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.70889954,
3.70889954
],
[
3.70889954,
0,
3.70889954
],
[
3.70889954,
3.70889954,
0
]
] | agm002633486 | [
[
3.70889954,
3.70889954,
3.70889954
],
[
1.85444977,
1.85444977,
1.85444977
],
[
5.5633493099999995,
5.5633493099999995,
5.5633493099999995
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Tl",
"Tl",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.117407,
0,
0
],
[
0,
5.117407,
0
],
[
0,
0,
5.117407
]
] | -14.971674 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.869587 | pbe | true | 8fab0f565486716d816401c1e7f5d1fb_225_Y1Al1Tl2 |
[
"Al",
"Ti",
"Zn"
] | 6 | A3B2C | AlTi2Zn3 | Ti2 Al1 Zn3 | 3 | [
1,
1,
1
] | 3 | [
[
2.72277598,
-2e-8,
-0.72475273
],
[
-0.19811443,
2.61890934,
-0.74428493
],
[
1.85960406,
2.25993702,
12.46311485
]
] | agm005666749 | [
[
0.7927701457318392,
0.9063953323444737,
2.978307129208631
],
[
3.6956040947085844,
2.6687717561694337,
8.406889863295572
],
[
2.7336922342856798,
4.548212956191098,
10.270031594520116
],
[
2.5445559285635415,
2.775457006912032,
4.082590311494698
],
[... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached"... | [
"Ti",
"Ti",
"Al",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.5
] | [
[
3.4628465,
0.0150616,
0.05336113
],
[
0.0150616,
3.4814398,
0.0565821
],
[
0.05336113,
0.0565821,
3.6491134
]
] | -23.994225 | [
0.146,
-0.028,
0,
0.001,
0.002,
-0.001
] | [
[
0.00039436,
0.00045089,
0.00148156
],
[
-0.00248487,
-0.00284101,
-0.00933523
],
[
-0.0016719,
-0.00191153,
-0.00628105
],
[
0.00351636,
0.00402035,
0.01321038
],
[
-0.00454223,
-0.00519325,
-0.01706441
],
[
0.00478827,
0.0054... | 0.14524 | 5.58583 | pbe | true | 828ef8f6594280680967ce2f9e4a50eb_44_Ti2Al1Zn3 |
[
"As",
"B",
"Te"
] | 5 | A3BC | AsBTe3 | B1 Te3 As1 | 3 | [
1,
1,
1
] | 3 | [
[
4.8556556,
0,
0
],
[
0,
4.8556556,
0
],
[
0,
0,
4.8556556
]
] | agm002412444 | [
[
2.4278278,
2.4278278,
2.4278278
],
[
0,
2.4278278,
0
],
[
0,
0,
2.4278278
],
[
2.4278278,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "B", "attached":... | [
"As",
"Te",
"Te",
"Te",
"B"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.1175687,
0,
0
],
[
0,
1.1175687,
0
],
[
0,
0,
1.1175687
]
] | -16.745657 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.611093 | pbe | true | 3a2e4335d62ac7a5e557ec034ab47e80_221_B1Te3As1 |
[
"As",
"Ba",
"Br"
] | 4 | A2BC | AsBa2Br | Ba2 As1 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
5.73967107,
0.00076923,
-0.10792934
],
[
-0.00342514,
5.73967162,
-0.1079294
],
[
0.09842145,
0.09849338,
4.06604483
]
] | agm003888009 | [
[
0.047498155,
2.9190825,
1.979057715
],
[
0,
0,
0
],
[
2.868122965,
2.8702204250000003,
-0.10792937
],
[
2.91904626,
0.049631305,
1.979057745
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached"... | [
"As",
"Ba",
"Ba",
"Br"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.545057,
0.02896581,
-0.16439603
],
[
0.02896581,
0.5450996,
-0.16451629
],
[
-0.16439617,
-0.1645164,
0.55844885
]
] | -15.560174 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 0.561397 | pbe | true | 181714c3004c33f38d80128e4e307963_123_Ba2As1Br1 |
[
"As",
"Ba",
"Ni"
] | 4 | A2BC | As2BaNi | Ba1 Ni1 As2 | 3 | [
1,
1,
1
] | 3 | [
[
5.33659488,
-0.03337915,
-0.00968491
],
[
-0.29482403,
5.3285493,
0.00968488
],
[
-1.63777514,
-3.48843832,
3.69173981
]
] | agm004058151 | [
[
-1.4864489592403836,
-3.329506488484527,
3.6917398090995652
],
[
3.4912377922076256,
-0.036562574937936576,
1.8410274402306472
],
[
0.9296669549653616,
-0.7919566377525715,
3.691739794722974
],
[
-0.28512493293260455,
1.6354659661750341,
1.85071234094681... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ni", "attached"... | [
"As",
"As",
"Ba",
"Ni"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.6287473,
0.01823577,
0.07425419
],
[
0.01823577,
-1.6269579,
-0.07069888
],
[
0.07425419,
-0.07069888,
-1.7144052
]
] | -17.695966 | [
0,
0,
0,
0
] | [
[
-0.00172779,
-0.00181462,
0
],
[
-0.00088803,
-0.00093266,
0
],
[
-0.00140649,
-0.00147718,
0
],
[
0.0040223,
0.00422447,
0
]
] | 0.000245 | 3.950626 | pbe | true | 36ae0cc68af3937e3ed883027b0e1edb_44_Ba1Ni1As2 |
[
"As",
"Be",
"Fe"
] | 4 | A2BC | As2BeFe | Be1 Fe1 As2 | 3 | [
1,
1,
1
] | 3 | [
[
4.54648537,
0.078068,
0.03561115
],
[
0.84240538,
4.46844243,
-0.03561115
],
[
-2.26249606,
-2.78523975,
2.79310663
]
] | agm004111014 | [
[
0.6371773475,
1.9782289474999997,
1.37874774
],
[
-2.097064550644235,
-2.6456681539833937,
2.79310663
],
[
2.529013865644235,
2.133683618983393,
4.938138020609273e-19
],
[
2.4892173425000004,
-0.21695826750000013,
1.41435889
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Be", "attached"... | [
"Be",
"As",
"As",
"Fe"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.0927467,
0.22402953,
-0.0269627
],
[
0.22402953,
3.0162187,
0.03195494
],
[
-0.0269627,
0.03195494,
2.846165
]
] | -20.252034 | [
0.021,
-0.025,
-0.025,
2.338
] | [
[
0,
0,
0
],
[
0.00156049,
0.00131656,
0
],
[
-0.00156049,
-0.00131656,
0
],
[
0,
0,
0
]
] | 2.238194 | 2.369837 | pbe | true | 6244444bbf4d3aeed8fdd4c3703ba0a5_71_Be1Fe1As2 |
[
"As",
"Br",
"K"
] | 5 | A3BC | As3BrK | K1 As3 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
6.69768177,
0,
0
],
[
0,
6.69768177,
0
],
[
0,
0,
6.69768177
]
] | agm002501444 | [
[
0,
3.348840885,
0
],
[
0,
0,
3.348840885
],
[
3.348840885,
0,
0
],
[
0,
0,
0
],
[
3.348840885,
3.348840885,
3.348840885
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Br", "attached": ... | [
"As",
"As",
"As",
"K",
"Br"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
-0.01175824,
0,
0
],
[
0,
-0.01175824,
0
],
[
0,
0,
-0.01175824
]
] | -9.374867 | [
1.191,
1.202,
1.171,
0.06,
0.021
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 8.394405 | 9.26321 | pbe | true | e1dc8c9583952f58f062a030117be120_221_K1As3Br1 |
[
"As",
"Cd",
"Ti"
] | 8 | A2BC | AsCdTi2 | Ti4 Cd2 As2 | 3 | [
1,
1,
1
] | 3 | [
[
7.25259628,
0,
0
],
[
0,
7.25259628,
0
],
[
3.62629814,
3.62629814,
2.86984513
]
] | agm002897061 | [
[
3.62629814,
3.62629814,
0
],
[
3.62629814,
7.25259628,
1.434922565
],
[
5.248550100268901,
1.81314907,
0.7174612825
],
[
2.0040461797310987,
5.43944721,
0.7174612825
],
[
5.43944721,
5.6303443197310985,
2.1523838475
],
[
9.0657453... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ti", "attached"... | [
"As",
"As",
"Ti",
"Ti",
"Ti",
"Ti",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.4276643,
0,
0
],
[
0,
3.4276643,
0
],
[
0,
0,
5.337202
]
] | -43.54771 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.03953273,
0,
0
],
[
0.03953273,
0,
0
],
[
0,
0.03953273,
0
],
[
0,
-0.03953273,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 6.962993 | pbe | true | 77b2c57d057256c1d61fcf38f6c3f29e_122_Ti4Cd2As2 |
[
"As",
"Ce",
"Pb"
] | 5 | A2B2C | As2CePb2 | Ce1 As2 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
4.41835581,
0.00367433,
0.00194593
],
[
2.21121402,
3.82570757,
0.00167332
],
[
2.21276492,
1.27784694,
9.08701465
]
] | agm002254335 | [
[
2.2117859468083356,
1.2774424684989336,
3.0728904552619816
],
[
6.630548803191665,
3.8297863715010667,
6.017743444738019
],
[
4.4205920648388375,
2.5533852475728773,
1.6192858501017724
],
[
4.4217426851611625,
2.5538435924271226,
7.4713480498982285
],
... | [{"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"]}, {"mass": null, "name": "Ce", "attached"... | [
"Pb",
"Pb",
"As",
"As",
"Ce"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
1.508179,
0.00020834,
-0.00393775
],
[
0.00020776,
1.5048554,
0.01056311
],
[
-0.00393792,
0.01056307,
1.7480054
]
] | -25.137844 | [
0.008,
0.008,
0,
0,
0.888
] | [
[
-0.0001209,
0.00005937,
0.00472042
],
[
0.0001209,
-0.00005937,
-0.00472042
],
[
-0.00038058,
-0.0001351,
-0.00185401
],
[
0.00038058,
0.0001351,
0.00185401
],
[
0,
0,
0
]
] | 1.115015 | 7.711387 | pbe | true | 63fd85a18ff7293b25ad083f23504381_166_Ce1As2Pb2 |
[
"As",
"Cl",
"P"
] | 5 | A3BC | AsCl3P | As1 P1 Cl3 | 3 | [
1,
1,
1
] | 3 | [
[
5.0651332,
0,
0
],
[
0,
5.0651332,
0
],
[
0,
0,
5.0651332
]
] | agm002572971 | [
[
2.5325666,
2.5325666,
2.5325666
],
[
0,
0,
0
],
[
0,
2.5325666,
0
],
[
0,
0,
2.5325666
],
[
2.5325666,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"As",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
-0.79134095,
0,
0
],
[
0,
-0.79134095,
0
],
[
0,
0,
-0.79134095
]
] | -13.944544 | [
1.131,
0.079,
0.025,
0.027,
0.045
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.859481 | 3.187993 | pbe | true | 2998818dd579b8668c5be9a51418da63_221_As1P1Cl3 |
[
"As",
"Co",
"Nb"
] | 12 | A3B2C | As3Co2Nb | Nb2 Co4 As6 | 3 | [
1,
1,
1
] | 3 | [
[
3.05960529,
-0.01804389,
0
],
[
0.05695918,
9.47666113,
0
],
[
0,
0,
19.88146128
]
] | agm2000103832 | [
[
0.0295861853327594,
4.852893541109767,
9.756620753591914
],
[
1.5308949599620474,
0.1054711750894491,
10.124738534511721
],
[
0.013357213879016299,
2.1802810476750882,
10.673736458454677
],
[
3.065470872572044,
0.9755709164296724,
8.29113378844574
],
... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "As", "attached"... | [
"Nb",
"Nb",
"Co",
"Co",
"Co",
"Co",
"As",
"As",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
] | [
[
0.3522409,
-0.02981552,
-0.00010602
],
[
-0.02981547,
0.37082455,
0.00195957
],
[
-0.00010592,
0.00195956,
-0.08876416
]
] | -77.686758 | [
0.02,
0.02,
0.079,
0.328,
0.328,
0.078,
0.007,
-0.003,
-0.003,
0.007,
0.004,
0.004
] | [
[
-0.00034455,
-0.01211783,
-0.00388153
],
[
-0.00019168,
0.00309532,
0.00341264
],
[
-0.00152892,
0.00146193,
0.0003674
],
[
-0.00079246,
0.00882713,
0.00054694
],
[
-0.00079963,
0.00454689,
0.00103889
],
[
-0.0014954,
0.004302... | 0.942442 | 9.40666 | pbe | true | cf66b4a136a926dbdd1fc69b6752b71c_31_Nb2Co4As6 |
[
"As",
"Co",
"Np"
] | 21 | A12B7C2 | As7Co12Np2 | Np2 Co12 As7 | 3 | [
1,
1,
1
] | 3 | [
[
3.72620372,
0,
0
],
[
0,
8.12311546,
-4.68985727
],
[
0,
0.00001447,
9.37973291
]
] | agm005669141 | [
[
1.86310186,
0.000008123144399999999,
0.000014069608549999999
],
[
0,
5.415417837685859,
-0.00000794626297022406
],
[
1.86310186,
7.31128175249636,
1.5422017690241174
],
[
1.86310186,
5.803063908202031,
-2.4129495675717525
],
[
1.86310186,
3.1... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
"Np",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"As",
"As",
"As",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.5714285714285714,
0.09523809523809523
] | [
[
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[
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2.601464,
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[
0,
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] | -150.405447 | [
3.426,
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0.314,
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0,
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[
0,
0.00... | 13.457937 | 27.62394 | pbe | true | 3eb1afd970ecb89f86874e11bf9a1461_174_Np2Co12As7 |
[
"As",
"Cr",
"Ir"
] | 4 | A2BC | As2CrIr | Cr1 As2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.49741205,
0,
0
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[
0,
4.49741205,
0
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[
0,
0,
2.98267069
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] | agm004298594 | [
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[
2.248706025,
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[
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ir", "attached"... | [
"As",
"As",
"Cr",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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[
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[
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] | -27.392918 | [
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[
0,
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[
0,
0,
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]
] | 2.357155 | 3.694311 | pbe | true | 9962c6960c9d6ac594a6829ef6eb8082_123_Cr1As2Ir1 |
[
"As",
"Cr",
"V"
] | 4 | A2BC | AsCrV2 | V2 Cr1 As1 | 3 | [
1,
1,
1
] | 3 | [
[
3.1703021,
0,
0
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[
0,
3.1703021,
0
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[
0,
0,
5.28441688
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] | agm001144023 | [
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[
0,
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[
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "V", "attached":... | [
"Cr",
"As",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
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[
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] | -33.093209 | [
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[
0,
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[
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] | 0.102357 | 4.384326 | pbe | true | 4dce1f215d77a81c1df5325cd2f20c14_123_V2Cr1As1 |
[
"As",
"Er",
"Hg"
] | 6 | ABC | AsErHg | Er2 Hg2 As2 | 3 | [
1,
1,
1
] | 3 | [
[
4.8070539,
0,
0
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[
2.40352695,
4.16303079,
0
],
[
2.40352695,
1.38767693,
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] | agm001051331 | [
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[
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[
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Er", "attached"... | [
"As",
"As",
"Hg",
"Hg",
"Er",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | -22.815579 | [
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[
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[
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[
0,
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[
0,
0,
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]
] | 0 | 0.856527 | pbe | true | 81832effa3488bdb4585f819105f87ef_166_Er2Hg2As2 |
[
"As",
"Dy",
"Sc"
] | 16 | A8B5C3 | As8Dy5Sc3 | Dy5 Sc3 As8 | 3 | [
1,
1,
1
] | 3 | [
[
7.00086864,
0,
4.01012556
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[
2.35192695,
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4.01012556
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[
0.03163873,
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] | agm005716833 | [
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[
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]... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Sc", "attached"... | [
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"Sc",
"Sc",
"As",
"As",
"As",
"As",
"As",
"As",
"As",
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] | 2023-11-16 06:57:59 | [
0.5,
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[
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[
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[
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-0.... | -0.000002 | 2.494597 | pbe | true | aa1e75a6806cab712063957a3a6bdd84_166_Dy5Sc3As8 |
[
"As",
"Er",
"Se"
] | 6 | ABC | AsErSe | As2 Er2 Se2 | 3 | [
1,
1,
1
] | 3 | [
[
3.886393,
0,
0
],
[
0,
3.899986,
0
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[
0,
0,
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]
] | mp-2275508 | [
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[
0.9715... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Se", "attached"... | [
"Er",
"Er",
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"As",
"Se",
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] | 2022-06-07 03:17:32 | [
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] | -33.876728 | [] | [
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[
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[
0,
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]
] | null | 4.351796 | pbe | true | 2ab4ec7b297a44b710f26ddac7d87560_59_Er2As2Se2 |
[
"As",
"Eu",
"O"
] | 12 | A4BC | AsEuO4 | Eu2 As2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
6.11905054,
-0.0014748,
0
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[
-2.64803253,
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0
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[
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] | agm005221015 | [
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[
3.2535447577089... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Eu", "attached": ... | [
"Eu",
"Eu",
"As",
"As",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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] | -93.386753 | [
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[
0.00284719,
-0.000... | 11.998635 | 22.695717 | pbe | true | 29265d4dd788000f6ad62bcdccb327fb_141_Eu2As2O8 |
[
"As",
"Fe",
"Pt"
] | 4 | A2BC | AsFe2Pt | Fe2 As1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.71184675,
-0.0002141,
0
],
[
1.63096831,
4.42057034,
0
],
[
-3.17140849,
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2.69421189
]
] | agm004249563 | [
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[
0.8154836749999999,
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[
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0
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pt", "attached"... | [
"As",
"Fe",
"Fe",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
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[
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]
] | -27.603251 | [
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2.745,
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[
0,
0,
0
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[
0,
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0
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[
0,
0,
0
]
] | 5.732186 | 3.564677 | pbe | true | 326783749233abb7a1d70e4c3e06f10b_119_Fe2As1Pt1 |
[
"As",
"Fe",
"Rb"
] | 10 | A2B2C | As2FeRb2 | Rb4 Fe2 As4 | 3 | [
1,
1,
1
] | 3 | [
[
5.59990851,
0,
0
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[
0,
7.02015959,
-0.00034185
],
[
0,
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7.81177318
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] | agm002150089 | [
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[
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[
4.1999313825,
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[
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... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rb", "attached"... | [
"As",
"As",
"As",
"As",
"Fe",
"Fe",
"Rb",
"Rb",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
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[
0,
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[
0,
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]
] | -41.887824 | [
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2.178,
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[
0,
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[
0,
0.0000... | 4.038421 | 4.386598 | pbe | true | 4b0b8f9e862c6e4db0558527491ea4f9_63_Rb4Fe2As4 |
[
"As",
"Ga",
"Pu"
] | 4 | A2BC | As2GaPu | Pu1 Ga1 As2 | 3 | [
1,
1,
1
] | 3 | [
[
2.98361186,
0,
0
],
[
1.49180593,
2.58388366,
0
],
[
1.49180593,
0.86129455,
11.21056275
]
] | agm001952302 | [
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1.4918074068878706,
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[
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2.583882806443204,
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[
2.98361186,
1.722589105,
5.605281375
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[
0,
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ga", "attached"... | [
"As",
"As",
"Ga",
"Pu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.6344117,
0,
0
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[
0,
1.6344117,
0
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[
0,
0,
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]
] | -25.635409 | [
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5.043
] | [
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 5.312525 | 5.648214 | pbe | true | dccf2177dc0c2d89abf362dcb1fcd93f_166_Pu1Ga1As2 |
[
"As",
"Ga",
"Ta"
] | 8 | A2BC | As2GaTa | Ta2 Ga2 As4 | 3 | [
1,
1,
1
] | 3 | [
[
5.98419624,
0,
0
],
[
0,
5.98419624,
0
],
[
2.99209812,
2.99209812,
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]
] | agm002831553 | [
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[
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0
],
[
2.9... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ga", "attached"... | [
"As",
"As",
"As",
"As",
"Ga",
"Ga",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0
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[
0,
1.201414,
0
],
[
0,
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]
] | -47.2627 | [
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[
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[
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[
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.348449 | pbe | true | 1a9af86a05f409b720e4bdc1e826a5eb_122_Ta2Ga2As4 |
[
"As",
"Hf",
"Pt"
] | 12 | A4BC | AsHf4Pt | Hf8 As2 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
6.47789827,
0,
-0.11255099
],
[
0,
6.50073399,
0
],
[
-0.20666635,
0,
6.32893996
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] | agm003744129 | [
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5.535274089429482,
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[
... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pt", "attached"... | [
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"As",
"As",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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[
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] | -105.664209 | [
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] | [
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[
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[
-0.00649712,
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[
0.00649712,
0.00... | -0.000007 | 11.031169 | pbe | true | 1123c06d7bd149e56791f0a36c54d0c5_14_Hf8As2Pt2 |
[
"As",
"Hg",
"Tl"
] | 26 | A7B5C | AsHg5Tl7 | Tl14 Hg10 As2 | 3 | [
1,
1,
1
] | 3 | [
[
4.08463707,
-1.4e-7,
8e-7
],
[
-2.04231919,
9.09935618,
-0.60675787
],
[
0.00000377,
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21.78812895
]
] | agm006083039 | [
[
4.77008079789216e-7,
5.499855913083587,
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[
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[
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[
0.0000011134274346562508,
5.377219341999809,
20.750352030167967
]... | [{"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": "As", "attached"... | [
"Tl",
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"Tl",
"Tl",
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"Tl",
"Tl",
"Tl",
"Tl",
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"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.07692307692307693,
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0.5384615384615384
] | [
[
4.3026857,
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[
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[
0.00000164,
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] | -45.064218 | [
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[
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0.02338688,
0... | -0 | 8.506987 | pbe | true | 9624af9779e0e4f4875189d70f07a9b6_8_Tl14Hg10As2 |
[
"As",
"Hg",
"Zn"
] | 4 | A2BC | AsHg2Zn | Zn1 Hg2 As1 | 3 | [
1,
1,
1
] | 3 | [
[
4.21677099,
-0.01173562,
-0.00169687
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[
2.10554855,
3.65348609,
-0.00169687
],
[
-0.02704647,
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6.84176947
]
] | agm004167222 | [
[
0.8295991395437047,
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[
0.7078365354556968,
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[
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1.6924286385404945,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Zn", "attached"... | [
"As",
"Hg",
"Hg",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
0.07169922,
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],
[
-0.09819619,
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3.6663978
]
] | -6.435728 | [
0,
0,
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[
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[
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[
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0.00170999,
0.00054084
],
[
-0.0011934,
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-0.00434824
]
] | 0 | 0.577513 | pbe | true | 0a98e84928ad238d5d6e6fdbc2f2e541_8_Zn1Hg2As1 |
[
"As",
"In",
"Si"
] | 3 | ABC | AsInSi | In1 Si1 As1 | 3 | [
1,
1,
1
] | 3 | [
[
4.61276839,
0,
0
],
[
2.3063842,
3.99477461,
0
],
[
2.3063842,
1.33159154,
3.76630962
]
] | agm004049910 | [
[
0,
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0
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[
4.612768395,
2.663183075,
1.88315481
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[
6.919152592500001,
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]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "In", "attached"... | [
"As",
"In",
"Si"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
0,
2.106516,
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[
0,
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] | -11.685653 | [
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000013 | 1.912565 | pbe | true | b2b811ebb0fe2c4859cf7b0b051f1beb_216_In1Si1As1 |
[
"As",
"K",
"Rh"
] | 5 | A2B2C | As2KRh2 | As2 K1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
4.0219607,
-0.021555,
-0.41713061
],
[
-0.021555,
4.0219607,
-0.41713061
],
[
-1.25748983,
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6.99867915
]
] | mp-34232 | [
[
2.2317101411111615,
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[
0.5112057288888385,
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[
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[
2.3801489945250442,
0.3627668754749561,
3... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rh", "attached": ... | [
"As",
"As",
"K",
"Rh",
"Rh"
] | 2014-02-19 11:23:36 | [
0.4,
0.2,
0.4
] | [
[
1.55620899,
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[
-0.1638376,
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[
-0.41702464,
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]
] | -28.195609 | [] | [
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0.02789755,
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[
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[
-0.00969992,
0.00969992,
0
],
[
0.00969992,
-0.00969992,
0
]
] | null | 3.854271 | pbe | true | c89263339094f1cf8e0731c6448938c7_12_K1As2Rh2 |
[
"As",
"Li",
"Zn"
] | 4 | A2BC | AsLiZn2 | Li1 Zn2 As1 | 3 | [
1,
1,
1
] | 3 | [
[
4.61646439,
0.08630402,
0.15026402
],
[
3.64644558,
2.83242414,
0.15026402
],
[
1.10268724,
0.38950495,
5.26862691
]
] | agm003848840 | [
[
4.860167186064313,
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[
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[
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[
2.176550592484698,
0.7688283590799043,
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]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Zn", "attached"... | [
"As",
"Li",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
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],
[
-0.16607401,
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]
] | -9.587346 | [
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] | [
[
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[
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[
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0.00684303
],
[
-0.00005157,
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]
] | -0.000003 | 0.9033 | pbe | true | 1b05bc53af4449c6c4956016b83859b6_8_Li1Zn2As1 |
[
"As",
"Mn",
"Te"
] | 12 | A3B2C | AsMn3Te2 | Mn6 Te4 As2 | 3 | [
1,
1,
1
] | 3 | [
[
7.00831609,
2e-8,
0
],
[
-3.9e-7,
6.08511929,
0
],
[
0,
0,
18.67914909
]
] | agm2000090041 | [
[
1.8006865742772595,
2.5946710775782904,
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[
5.207628762634798,
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[
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[
1.7034705226348208,
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[
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "As", "attached"... | [
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Te",
"Te",
"Te",
"Te",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.3333333333333333
] | [
[
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0
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[
-2e-8,
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],
[
0,
0.01914733,
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]
] | -73.950181 | [
3.542,
3.542,
3.542,
3.542,
2.115,
2.115,
-0.048,
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] | [
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[
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[
0,
0.00170398,
0.00077382
],
[
0,
0.00170398,
0.00077382
]... | 19.05462 | 9.55598 | pbe | true | f78d543d3ea15f23ef11d0aacaefd05f_8_Mn6Te4As2 |
[
"As",
"Mo",
"Pb"
] | 4 | A2BC | As2MoPb | Mo1 As2 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.51574214,
0.00134903,
0.00027199
],
[
3.25569689,
3.12927573,
0.00027199
],
[
0.91194178,
0.36736408,
6.1855641
]
] | agm004016293 | [
[
2.1708452025,
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1.5465270199999999
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[
6.5125356075,
2.6234916299999997,
4.639581059999999
],
[
1.0473684534429706,
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5.640446678118543
],
[
4.20626373155703,
1.6944395180743606,
3.6381714618814565
]
] | [{"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"]}, {"mass": null, "name": "Mo", "attached"... | [
"Pb",
"Mo",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.9143307,
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[
-0.06034325,
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],
[
-0.3288822,
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3.6424937
]
] | -23.059446 | [
0,
0,
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0
] | [
[
0,
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[
0,
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[
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],
[
0.00158995,
0.00064049,
-0.00285356
]
] | 0.000136 | 3.061968 | pbe | true | e7e2c5aa03b30d5eaa30a94d3664a6a3_12_Mo1As2Pb1 |
[
"As",
"N",
"Tc"
] | 5 | A2B2C | As2N2Tc | Tc1 As2 N2 | 3 | [
1,
1,
1
] | 3 | [
[
2.90031569,
-0.82391674,
0.52278823
],
[
0.73638821,
2.92385488,
0.52275227
],
[
1.38448822,
0.79929709,
12.50562542
]
] | agm005965175 | [
[
0,
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0
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[
1.5019865482205539,
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1.9885435547519785
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[
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[
2.40165283876932,
1.3867811645802837,
7.317650417105898
],
[
2.6195392812306793,
1.512454065419716,
... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "N", "attached":... | [
"Tc",
"As",
"As",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
0.02800501,
0.0201251,
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],
[
0.0201251,
0.00477485,
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],
[
-0.07858669,
-0.04537847,
0.00283709
]
] | -36.281541 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0.00253422,
0.00146335,
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[
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[
0.00020599,
0.00011896,
-0.00129365
],
[
-0.00020599,
-0.00011896,
0.00129365
]
] | -0.000013 | 2.552176 | pbe | true | 882a0e730a23bcd0791eb4191c971ba5_12_Tc1As2N2 |
[
"As",
"Nb",
"Tc"
] | 4 | A2BC | AsNbTc2 | Nb1 Tc2 As1 | 3 | [
1,
1,
1
] | 3 | [
[
3.17080611,
0,
0
],
[
0,
3.17080611,
0
],
[
0,
0,
6.16345245
]
] | agm001143904 | [
[
1.585403055,
1.585403055,
3.081726225
],
[
1.585403055,
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0
],
[
0,
0,
4.571374314270298
],
[
0,
0,
1.5920781357297016
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Nb", "attached"... | [
"As",
"Nb",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
7.354453,
0,
0
],
[
0,
7.354453,
0
],
[
0,
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7.097421
]
] | -36.055156 | [
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
-0.01722804
],
[
0,
0,
0.01722804
]
] | 0.000003 | 2.588149 | pbe | true | 86c7db9c24a3172ae48e50e6b3384fce_123_Nb1Tc2As1 |
[
"As",
"Ni",
"Pm"
] | 4 | A2BC | As2NiPm | Pm1 Ni1 As2 | 3 | [
1,
1,
1
] | 3 | [
[
4.04680171,
0.00323391,
-0.00013343
],
[
0.00102494,
4.04674562,
-0.00137608
],
[
-2.02438863,
-2.02391633,
4.8539627
]
] | agm003631728 | [
[
0.43390497738639083,
3.1053519183127345,
1.1063894929673022
],
[
0.433535782200787,
1.082219350763757,
3.533721390131724
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[
2.457189456499559,
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2.411292984130773
],
[
0.43427883990515337,
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4.656483244038081
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Ni",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-2.6103706,
0.00204739,
0.00508039
],
[
0.00204731,
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],
[
0.00483928,
0.00491775,
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]
] | -23.401056 | [
0,
0,
0,
0
] | [
[
0.00017973,
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6e-8
],
[
-0.00158901,
0.00158812,
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[
-0.00089705,
-0.00230739,
-0.00188889
],
[
0.00230633,
0.0008989,
0.00188932
]
] | 0.000001 | 1.786066 | pbe | true | 96eefb554135ab8e998b45df23304f76_119_Pm1Ni1As2 |
[
"As",
"Ni",
"Te"
] | 12 | ABC | AsNiTe | Ni4 Te4 As4 | 3 | [
1,
1,
1
] | 3 | [
[
6.10032879,
0,
0
],
[
0,
6.35839808,
0.01709878
],
[
0,
-1.74377233,
6.11372321
]
] | agm003608261 | [
[
0.08703015767267129,
1.1409129754703184,
1.622492338216783
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[
2.9631342373273286,
4.320112015470318,
1.631041728216783
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[
6.013298632327328,
3.4737127745296807,
4.5083296517832165
],
[
3.137194552672671,
0.29451373452968116,
4.499780261783217
],
... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Te", "attached"... | [
"Ni",
"Ni",
"Ni",
"Ni",
"Te",
"Te",
"Te",
"Te",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0
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[
0,
-3.1359305,
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],
[
0,
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]
] | -56.817343 | [
0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
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[
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[
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],
[
0.00179078,
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[
-0.00179078,
0.000... | 0 | 6.609116 | pbe | true | 0658427ce07247c4a63c7971f655483e_14_Ni4Te4As4 |
[
"As",
"Np",
"P"
] | 6 | ABC | AsNpP | Np2 As2 P2 | 3 | [
1,
1,
1
] | 3 | [
[
3.87005297,
0,
0
],
[
0,
3.87005297,
0
],
[
-1.93502648,
-1.93502648,
7.90787088
]
] | agm003605762 | [
[
2.2881236955798338e-8,
2.2881236955798338e-8,
5.584494368615199
],
[
1.9350264671187631,
1.9350264671187631,
2.3233765113848017
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[
0,
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[
1.935026485,
0,
0
],
[
-1.7543033901115204e-8,
-1.7543033901115204e-8,
2.858269800... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "P", "attached":... | [
"Np",
"Np",
"As",
"As",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.5673255,
0,
0
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[
0,
1.5673255,
0
],
[
0,
0,
1.250081
]
] | -49.686133 | [
3.049,
3.049,
-0.067,
-0.067,
-0.15,
-0.15
] | [
[
0,
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[
0,
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[
0,
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[
0,
0,
0
],
[
0,
0,
-0.0015338
],
[
0,
0,
0.0015338
]
] | 5.706893 | 14.16136 | pbe | true | e0b9102afc7001cf48012b0e51b0d192_139_Np2As2P2 |
[
"As",
"O",
"Sr"
] | 16 | A5B2C | AsO5Sr2 | Sr4 As2 O10 | 3 | [
1,
1,
1
] | 3 | [
[
4.0912402,
0,
0
],
[
-2.0456201,
6.0498364,
0
],
[
0,
0,
10.72265401
]
] | agm003472705 | [
[
2.0456201,
4.354697771029608,
4.533220832095844
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[
2.0456201,
4.354697771029608,
0.8281061729041559
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[
1.7728180131967975e-17,
1.695138628970392,
6.189433177904155
],
[
1.7728180131967975e-17,
1.695138628970392,
9.894547837095844
],
[
2.04562... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
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"Sr",
"Sr",
"As",
"As",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.125,
0.625,
0.25
] | [
[
0.91535354,
0,
0
],
[
0,
0.93007433,
0
],
[
0,
0,
0.90784216
]
] | -95.622224 | [
0.002,
0.002,
0.002,
0.002,
-0.021,
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0.172,
0.172,
0.116,
0.116,
0.301,
0.301,
0.116,
0.116,
0.172,
0.172
] | [
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0,
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[
0,
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[
0,
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[
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[
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[
0,
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0
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[
0,
0.00189503,
0.00327275
],
... | 2.05284 | 6.609531 | pbe | true | a9a7e1e5d4684deff6a2a0950a8b3042_63_Sr4As2O10 |
[
"As",
"Os",
"P"
] | 5 | A3BC | AsOsP3 | As1 P3 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.48305505,
0,
0
],
[
0,
4.48305505,
0
],
[
0,
0,
4.48305505
]
] | agm002566951 | [
[
0,
2.241527525,
0
],
[
0,
0,
2.241527525
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[
2.241527525,
0,
0
],
[
0,
0,
0
],
[
2.241527525,
2.241527525,
2.241527525
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"P",
"P",
"As",
"Os"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
2.0136058,
0,
0
],
[
0,
2.0136058,
0
],
[
0,
0,
2.0136058
]
] | -23.798217 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.566356 | pbe | true | 6ae863dc5cf023ac6eca4d059251b82f_221_As1P3Os1 |
[
"As",
"Os",
"Tc"
] | 12 | ABC | AsOsTc | Tc4 As4 Os4 | 3 | [
1,
1,
1
] | 3 | [
[
4.50648892,
0,
0
],
[
0,
2.88928831,
0
],
[
0,
0,
13.66550791
]
] | agm002069019 | [
[
0,
0,
3.3151228066060923
],
[
0,
1.444644155,
10.147876761606092
],
[
2.25324446,
0,
9.011367714386054
],
[
2.25324446,
1.444644155,
2.178613759386055
],
[
0,
0,
12.31152323679864
],
[
0,
1.444644155,
5.478769281798641
]... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached"... | [
"As",
"As",
"As",
"As",
"Os",
"Os",
"Os",
"Os",
"Tc",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
8.467783,
0,
0
],
[
0,
8.00547,
0
],
[
0,
0,
8.635829
]
] | -104.413577 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
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[
0,
0,
0.00443551
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[
0,
0,
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[
0,
0,
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[
0,
0,
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[
0,
0,
0.02367884
],
[
0,
0,
0.02367884
],
[
0,... | 0.000024 | 10.611774 | pbe | true | dff388f8434f69c2a08b42a86ca3d4a7_38_Tc4As4Os4 |
[
"As",
"P",
"Pb"
] | 4 | A2BC | AsP2Pb | As1 P2 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.8643133,
0,
0
],
[
0,
3.60821375,
0.01916705
],
[
0,
-0.00377991,
5.25854985
]
] | agm004359364 | [
[
2.43215665,
2.70332538,
3.958287675
],
[
0,
0.026204924107158602,
4.640029386940572
],
[
0,
1.7722320858928413,
3.2573789130594277
],
[
2.43215665,
0.90110846,
1.319429225
]
] | [{"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"]}, {"mass": null, "name": "P", "attached":... | [
"As",
"P",
"P",
"Pb"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.3639336,
0,
0
],
[
0,
2.0537984,
-0.06319423
],
[
0,
-0.06319424,
2.4210007
]
] | -18.147924 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0.00510936,
-0.00419344
],
[
0,
-0.00510936,
0.00419344
],
[
0,
0,
0
]
] | 0 | 1.618641 | pbe | true | 02550bad1c2452c72fc97606c21fd4cd_10_As1P2Pb1 |
[
"As",
"Pb",
"Ru"
] | 5 | A2B2C | As2PbRu2 | As2 Ru2 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.31613519,
0,
0
],
[
0,
4.31613519,
0
],
[
2.15806759,
2.15806759,
5.07088009
]
] | agm002909695 | [
[
0,
0,
0
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[
4.3161351875,
2.1580675925,
2.535440045
],
[
2.1580675925,
4.3161351875,
2.535440045
],
[
2.158067572082333,
2.158067572082333,
1.3559440563554352
],
[
4.316135207917666,
4.316135207917666,
3.7149360336445647
]
] | [{"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"]}, {"mass": null, "name": "Ru", "attached"... | [
"Pb",
"Ru",
"Ru",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
5.036121,
0,
0
],
[
0,
5.036121,
0
],
[
0,
0,
4.9096675
]
] | -32.177284 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00235571
],
[
0,
0,
0.00235571
]
] | -0.000017 | 2.868638 | pbe | true | 6662b795171564e97ee363cf8a9eb7dc_139_As2Ru2Pb1 |
[
"As",
"Pd",
"Sm"
] | 6 | ABC | AsPdSm | Sm2 As2 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
4.12569504,
0.00049882,
-0.00222474
],
[
0.00049882,
4.12569983,
-0.00215335
],
[
-2.06060425,
-2.06075459,
7.63794462
]
] | agm002198793 | [
[
2.0645307726667745,
0.0008632590514552148,
3.8348621438415478
],
[
-0.0005572208285850998,
0.0004280622584305996,
0.018092013317997698
],
[
0.0011162039532958132,
0.0003765192125673331,
2.4993251722933256
],
[
2.064503312380804,
0.0024769105110008603,
6.... | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pd", "attached"... | [
"As",
"As",
"Pd",
"Pd",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.9765086,
0.06214333,
-0.01270466
],
[
0.06214315,
2.2728796,
-0.01844098
],
[
-0.01270443,
-0.01844122,
2.1121936
]
] | -35.915983 | [
0,
0,
0,
0,
0,
0
] | [
[
0.0030916,
0.00151431,
-0.00891875
],
[
0.0012215,
0.00310325,
-0.01857902
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[
-0.0012044,
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0.01000584
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[
-0.00012621,
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0.01045123
],
[
-0.00137595,
-0.00163772,
0.01100971
],
[
-0.00160656,
-0.001269... | 0 | 3.372235 | pbe | true | 45ad2ec5816af85fb9c66a98577f441f_109_Sm2As2Pd2 |
[
"As",
"Ru",
"Tl"
] | 4 | A2BC | AsRuTl2 | Tl2 As1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
5.24360085,
-0.01820208,
-1e-8
],
[
1.50276353,
5.02368222,
-1e-8
],
[
-3.37318329,
-2.50274088,
3.13904502
]
] | agm004136117 | [
[
2.621799875,
-0.009101444999999986,
1.5695225000000002
],
[
0,
0,
0
],
[
3.37318219,
2.50274007,
-1e-8
],
[
0.7513812149999999,
2.5118407050000005,
1.5695225000000002
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "As", "attached"... | [
"Ru",
"Tl",
"Tl",
"As"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.8430114,
0.05775795,
-0.00000167
],
[
0.05775795,
4.808019,
-0.00000124
],
[
-0.00000167,
-0.00000124,
4.76516
]
] | -15.925191 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000031 | 3.867626 | pbe | true | 9365e470a51163d77dc80aaa774debc7_139_Tl2As1Ru1 |
[
"As",
"Ru",
"Tm"
] | 4 | A2BC | AsRuTm2 | Tm2 As1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
3.49063024,
0,
0
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[
0,
3.49063024,
0
],
[
0,
0,
6.69591895
]
] | agm001121394 | [
[
1.74531512,
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0
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[
1.74531512,
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[
0,
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5.0703709281837295
],
[
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Tm", "attached"... | [
"Ru",
"As",
"Tm",
"Tm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
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[
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] | -25.929303 | [
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[
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[
0,
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[
0,
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]
] | 0.000132 | 2.67483 | pbe | true | 84803a6ee8ee2377d9d30f27248f2821_123_Tm2As1Ru1 |
[
"As",
"S",
"Sb"
] | 16 | A5B2C | AsS5Sb2 | Sb4 As2 S10 | 3 | [
1,
1,
1
] | 3 | [
[
5.36882094,
0,
0
],
[
-2.68441047,
6.56582727,
0
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[
0,
0,
12.42417001
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] | agm003473698 | [
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[
2.6844104968441047,
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[
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"S",
"S",
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"S",
"S",
"S",
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] | 2023-11-16 06:57:59 | [
0.125,
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[
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[
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[
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... | -0.000013 | 8.656041 | pbe | true | 92842df6d91fff221cbfc212a97aadfe_63_Sb4As2S10 |
[
"As",
"Sb",
"Sr"
] | 20 | A3BC | AsSbSr3 | Sr12 Sb4 As4 | 3 | [
1,
1,
1
] | 3 | [
[
8.86654729,
0.00000657,
1.58434955
],
[
0.00002143,
8.63805302,
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],
[
-0.18805687,
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]
] | agm005754146 | [
[
3.539508185994156,
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[
5.139003664005843,
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[
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[
... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sr", "attached"... | [
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"Sb",
"Sb",
"Sb",
"As",
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"As",
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] | 2023-11-16 06:57:59 | [
0.2,
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] | [
[
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[
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] | -76.397334 | [
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[
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[
0.00223263,
-0.0008... | 0 | -0.1636 | pbe | true | 7b439aef371c2f610313dcd0805e6f93_14_Sr12Sb4As4 |
[
"As",
"Sb",
"Zr"
] | 4 | A2BC | AsSb2Zr | Zr1 Sb2 As1 | 3 | [
1,
1,
1
] | 3 | [
[
5.0999402,
-0.07328829,
0.00075143
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[
3.88831337,
3.30087569,
0.00075143
],
[
0.47089238,
0.1690925,
6.0739358
]
] | agm004001433 | [
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[
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[
4.642356252430757,
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2.6003024903220906
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
"Sb",
"As",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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[
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[
-0.01229196,
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] | -22.299427 | [
0,
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0
] | [
[
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[
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[
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-0.00100824,
0.00139343
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[
0.00122013,
0.00043814,
-0.00370155
]
] | 0 | 1.987905 | pbe | true | 93e3b7003aba940fcdb4fb91b51becf7_8_Zr1Sb2As1 |
[
"As",
"Se",
"Zr"
] | 28 | A3B3C | AsSe3Zr3 | Zr12 As4 Se12 | 3 | [
1,
1,
1
] | 3 | [
[
8.86576851,
-1e-8,
-3.13452393
],
[
-4.43288329,
7.67797826,
-3.13452201
],
[
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0,
9.40356796
]
] | agm005918825 | [
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6.575806577115271,
3.7965474829029793,
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[
4.432879545705032,
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[
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[... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached"... | [
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"Se",
"Se",
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"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
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0.42857142857142855
] | [
[
1.3839625,
9e-8,
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9e-8,
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0
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[
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] | -199.031493 | [
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[
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[
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... | 0.000001 | 10.408402 | pbe | true | bd6745b99a024a17f810494530ddecee_214_Zr12As4Se12 |
[
"As",
"Sn",
"Ti"
] | 14 | A3B3C | As3Sn3Ti | Ti2 Sn6 As6 | 3 | [
1,
1,
1
] | 3 | [
[
9.79963641,
0.00000477,
0
],
[
-0.00005239,
5.48570113,
0
],
[
0,
0,
20.72318478
]
] | agm2000101436 | [
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4.900256510791111,
5.308333462889552,
10.361592182768153
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4.899309601901361,
2.5654822939887665,
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[
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[
... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ti", "attached"... | [
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"Sn",
"As",
"As",
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] | 2023-11-16 06:57:59 | [
0.42857142857142855,
0.42857142857142855,
0.14285714285714285
] | [
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[
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] | -67.204643 | [
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] | [
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[
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[
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[
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[
-0.00012124,
0.00097359,
-0.00183735
... | 0.000009 | 9.003866 | pbe | true | e5b971740246100d32b79f6aa1e1ab98_51_Ti2Sn6As6 |
[
"Au",
"B",
"Ir"
] | 5 | A3BC | Au3BIr | B1 Ir1 Au3 | 3 | [
1,
1,
1
] | 3 | [
[
4.31373734,
0,
0
],
[
0,
4.31373734,
0
],
[
0,
0,
4.31373734
]
] | agm002408794 | [
[
0,
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[
2.15686867,
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2.15686867
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[
0,
2.15686867,
0
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[
0,
0,
2.15686867
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[
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] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Au", "attached": ... | [
"B",
"Ir",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0,
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[
0,
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[
0,
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] | -21.748974 | [
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0.024
] | [
[
0,
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.580399 | 4.865413 | pbe | true | 44d0b3d65ed0986863772d840c961d76_221_B1Ir1Au3 |
[
"Au",
"B",
"Os"
] | 4 | A2BC | AuBOs2 | B1 Os2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.00747346,
3.00747346
],
[
3.00747346,
0,
3.00747346
],
[
3.00747346,
3.00747346,
0
]
] | agm002640821 | [
[
1.50373673,
1.50373673,
1.50373673
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[
4.51121019,
4.51121019,
4.51121019
],
[
0,
0,
0
],
[
3.00747346,
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3.00747346
]
] | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Au", "attached": ... | [
"Os",
"Os",
"B",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
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0
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[
0,
0,
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] | -27.873241 | [
0,
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0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.170561 | pbe | true | 83e27bb7228de252d7210476cd42be82_225_B1Os2Au1 |
[
"Au",
"B",
"Pd"
] | 4 | A2BC | AuBPd2 | B1 Pd2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
3.09241565,
0.00090702,
-0.01124638
],
[
1.54699333,
2.67765701,
-0.01124638
],
[
1.52191978,
0.87868079,
6.93524546
]
] | agm005110795 | [
[
4.616175152107796,
2.665149966377042,
6.917023292330732
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[
1.518535720086346,
0.8767270032428613,
5.76239919371624
],
[
1.5505250270480349,
0.8951960427779615,
1.1669066822796474
],
[
3.0786755140572413,
1.7774741377081527,
3.458038475780374
]
] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Au", "attached": ... | [
"B",
"Pd",
"Pd",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.4856844,
0.15653925,
0.08317091
],
[
0.15653925,
2.3049283,
0.04801875
],
[
0.08317082,
0.04801869,
2.7094073
]
] | -20.926907 | [
0,
0,
0,
0
] | [
[
-0.00018328,
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],
[
0.00176944,
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0.00301876
],
[
-0.00136163,
-0.00078614,
-0.00273314
],
[
-0.00022453,
-0.00012963,
0.00037712
]
] | 0 | 0.813289 | pbe | true | 95718018f5ee956eca3c639986c57ba0_8_B1Pd2Au1 |
[
"Au",
"Ba",
"Ca"
] | 4 | A2BC | AuBaCa2 | Ba1 Ca2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
8.75454097,
1.08647983,
-0.19149956
],
[
5.86466063,
6.59000663,
0.19149905
],
[
-6.87132038,
-4.6729062,
2.96782588
]
] | agm004231061 | [
[
0.06088224983126401,
0.0319690349221284,
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],
[
3.2543693038481445,
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1.388163079317954
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[
0.5568776696358873,
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2.9678256208626608
],
[
4.314032416684705,
3.488128602169393,
1.5796622969433005... | [{"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"]}, {"mass": null, "name": "Au", "attached"... | [
"Ca",
"Ca",
"Au",
"Ba"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.6732134,
0.14361756,
0.00336858
],
[
0.14361756,
1.4751194,
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],
[
0.00336858,
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1.394104
]
] | -10.525974 | [
0,
0,
0,
0
] | [
[
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0
],
[
0.00104856,
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0
],
[
-0.00198993,
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],
[
0.00210643,
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[
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[
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[
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[
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[
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[
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1
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[
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... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Au", "attached"... | [
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[
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[
0,
0,
7.34033179
]
] | agm004281137 | [
[
-1.8098085895948347e-8,
1.7048867685244338,
4.891826270014484
],
[
1.4764752580980858,
0.8524433714755661,
2.5052510559378796
],
[
0,
0,
7.283586254047637
]
] | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Au", "attached"... | [
"Os",
"Ca",
"Au"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
6.2694154,
0,
0
],
[
0,
6.2694154,
0
],
[
0,
0,
6.4183574
]
] | -14.779687 | [
0.241,
-0.003,
0.009
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[
0,
0,
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[
0,
0,
0.00412831
],
[
0,
0,
-0.00247729
]
] | 0.251092 | 2.698518 | pbe | true | 08f011d10b51688423cb4a5bde41b1b0_156_Ca1Os1Au1 |
[
"Au",
"Ca",
"Mn"
] | 4 | A2BC | AuCaMn2 | Ca1 Mn2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
5.20092245,
0.48418951,
-1.1e-7
],
[
1.37874559,
5.0381638,
-1.1e-7
],
[
-3.28983169,
-2.7611747,
2.97270031
]
] | agm004172699 | [
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2.6004623900000006,
0.24209573249999994,
1.486350045
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[
0,
0,
0
],
[
0.68937396,
2.5190828775,
1.486350045
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[
3.2898340200000002,
2.7611766550000003,
-1.1e-7
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Au", "attached"... | [
"Ca",
"Mn",
"Mn",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.4440167,
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0.0000028
],
[
-0.17601985,
3.5060031,
0.00000235
],
[
0.0000028,
0.00000235,
3.6537447
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] | -22.729515 | [
-0.045,
3.652,
3.676,
-0.008
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.531024 | 4.452539 | pbe | true | a650ecc5db88db9609f117570b8f95f4_119_Ca1Mn2Au1 |
[
"Au",
"Ca",
"Si"
] | 4 | A2BC | AuCaSi2 | Ca1 Si2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
3.62916207,
0.0021351,
0
],
[
-0.92781306,
3.50855879,
0
],
[
0,
0,
6.5544996
]
] | agm003861213 | [
[
1.350674505,
1.7553469449999999,
1.6386249
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[
1.350674505,
1.7553469449999999,
4.9158747
],
[
0,
0,
0.375768741073044
],
[
0,
0,
2.9014810589269557
]
] | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
"Ca",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.3453348,
0.3055153,
0
],
[
0.3055153,
2.507302,
0
],
[
0,
0,
2.2966146
]
] | -16.442437 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.0055201
],
[
0,
0,
-0.0055201
]
] | 0.000001 | 1.622764 | pbe | true | af2d7547f32fb7776095ea839a80877c_65_Ca1Si2Au1 |