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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Mg",
"S",
"Sc",
"Tm"
] | 14 | A8B4CD | MgS8Sc4Tm | Tm1 Mg1 Sc4 S8 | 4 | [
1,
1,
1
] | 3 | [
[
7.60410722,
0,
0
],
[
3.80205361,
6.58535003,
0
],
[
3.80205361,
2.19511668,
6.29770462
]
] | agm004919885 | [
[
3.802053571979464,
2.1951166580326995,
6.267222973914646
],
[
7.60410722,
4.390233356260319,
5.529987535623272
],
[
7.604107258020536,
4.39023337568442,
0.75557340948912
],
[
3.80205361,
4.34697559553611,
3.164924933868887
],
[
5.66561809641102,
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Mg", "attached": ... | [
"Tm",
"Mg",
"Sc",
"Sc",
"Sc",
"Sc",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.07142857142857142,
0.5714285714285714,
0.2857142857142857,
0.07142857142857142
] | [
[
0.76875085,
0,
0
],
[
0,
0.76875085,
0
],
[
0,
0,
0.721555
]
] | -89.970331 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00005527
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[
0,
0,
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],
[
0,
0,
0.00115128
],
[
0,
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[
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[
0.00121315,
0.00070041,
0.00053837
],
[
0,
0.00150437,
-0.00099372
... | -0.0001 | 4.913008 | pbe | true | ce6ddd59d6d7df6d6aedb5ab1826b061_160_Tm1Mg1Sc4S8 |
[
"Mg",
"Sc",
"Sn",
"Th"
] | 4 | ABCD | MgScSnTh | Th1 Mg1 Sc1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
5.27107701,
0,
0
],
[
2.63553851,
4.5648866,
0
],
[
2.63553851,
1.52162887,
4.30381636
]
] | agm001336569 | [
[
2.6355385074999997,
1.5216288675,
1.07595409
],
[
0,
0,
0
],
[
5.2710770149999995,
3.043257735,
2.15190818
],
[
7.9066155225,
4.5648866025,
3.22786227
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Mg", "attached"... | [
"Sc",
"Mg",
"Sn",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.3329656,
0,
0
],
[
0,
2.3329656,
0
],
[
0,
0,
2.3329656
]
] | -20.207361 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000021 | 3.698145 | pbe | true | 77e491bdf21c11db0ed024f33827b1f5_216_Th1Mg1Sc1Sn1 |
[
"Mn",
"Mo",
"Nb",
"Tc"
] | 4 | ABCD | MnMoNbTc | Mn1 Nb1 Tc1 Mo1 | 4 | [
1,
1,
1
] | 3 | [
[
4.38776768,
0,
0
],
[
2.19388384,
3.79991828,
0
],
[
2.19388384,
1.26663943,
3.58259731
]
] | agm001397709 | [
[
0,
0,
0
],
[
2.19388384,
1.2666394275,
0.8956493275
],
[
6.581651519999999,
3.7999182824999997,
2.6869479825
],
[
4.38776768,
2.533278855,
1.791298655
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Tc", "attached"... | [
"Mo",
"Mn",
"Tc",
"Nb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.7355647,
0,
0
],
[
0,
4.7355647,
0
],
[
0,
0,
4.7355647
]
] | -40.510476 | [
0.001,
0.089,
-0.002,
-0.011
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.076957 | 4.164751 | pbe | true | d5384b8980a2d18b4549e8aad6934e27_216_Mn1Nb1Tc1Mo1 |
[
"Mn",
"Mo",
"Sb",
"Si"
] | 5 | A2BCD | MnMo2SbSi | Mn1 Si1 Sb1 Mo2 | 4 | [
1,
1,
1
] | 3 | [
[
4.58753606,
0,
0
],
[
0,
4.28386086,
0
],
[
0,
0,
4.58753606
]
] | agm001470311 | [
[
2.29376803,
2.14193043,
2.29376803
],
[
0,
0,
2.29376803
],
[
2.29376803,
0,
0
],
[
0,
2.14193043,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
"Mo",
"Mo",
"Mn",
"Si"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
4.2757907,
0,
0
],
[
0,
1.5620126,
0
],
[
0,
0,
4.2757907
]
] | -36.904679 | [
-0.005,
-0.345,
-0.289,
2.68,
-0.032
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.022016 | 4.093533 | pbe | true | 6bf299deba0282cd0a09b3f9f8caf5dc_123_Mn1Si1Sb1Mo2 |
[
"Mn",
"N",
"Nd",
"Sm"
] | 16 | A4B2CD | MnN4Nd2Sm | Nd4 Sm2 Mn2 N8 | 4 | [
1,
1,
1
] | 3 | [
[
3.48343855,
0,
0
],
[
-1.74171928,
5.88885004,
0
],
[
0,
0,
12.13190878
]
] | agm004783524 | [
[
1.3731866287966081e-8,
4.340466962499112,
6.613991774338872
],
[
1.7417192562681336,
1.5483830775008887,
0.5480373843388716
],
[
1.7417192562681336,
1.5483830775008887,
5.517917005661128
],
[
1.3731866287966081e-8,
4.340466962499112,
11.583871395661127
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sm", "attached"... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Sm",
"Sm",
"Mn",
"Mn",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.25,
0.125
] | [
[
0.5752333,
0,
0
],
[
0,
0.35123715,
0
],
[
0,
0,
0.6044671
]
] | -128.952065 | [
0.044,
0.044,
0.044,
0.044,
0.102,
0.102,
2.8,
2.8,
0.034,
0.034,
0.034,
0.034,
0.053,
0.053,
-0.03,
-0.03
] | [
[
0,
0.00263641,
0.00275384
],
[
0,
-0.00263641,
0.00275384
],
[
0,
-0.00263641,
-0.00275384
],
[
0,
0.00263641,
-0.00275384
],
[
0,
0.00255251,
0
],
[
0,
-0.00255251,
0
],
[
0,
0.00199571,
0
],
[
0,
... | 7.121137 | 6.794357 | pbe | true | 671107d4a9a385c47342582e8cf1322d_63_Nd4Sm2Mn2N8 |
[
"Mn",
"Na",
"Pd",
"Ti"
] | 5 | A2BCD | MnNaPd2Ti | Na1 Ti1 Mn1 Pd2 | 4 | [
1,
1,
1
] | 3 | [
[
4.58534768,
0,
0
],
[
0,
4.67841655,
0
],
[
0,
0,
4.58534768
]
] | agm001480616 | [
[
0,
0,
0
],
[
2.29267384,
2.339208275,
2.29267384
],
[
0,
0,
2.29267384
],
[
2.29267384,
0,
0
],
[
0,
2.339208275,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pd", "attached"... | [
"Na",
"Mn",
"Pd",
"Pd",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
2.5059035,
0,
0
],
[
0,
4.5735993,
0
],
[
0,
0,
2.5059035
]
] | -22.862584 | [
-0.041,
4.07,
-0.098,
0.025,
-1.718
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.864443 | 6.810039 | pbe | true | ac837fd98551e4dec10888f99a6f407a_123_Na1Ti1Mn1Pd2 |
[
"Mn",
"Na",
"Se",
"U"
] | 11 | A6B2C2D | Mn2Na2Se6U | Na2 U1 Mn2 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
6.61563108,
0.06461474,
0.03635675
],
[
-3.21365246,
5.78300852,
0.03635675
],
[
-1.20533454,
-2.07183615,
7.15484687
]
] | agm004584566 | [
[
5.019910689331175,
0.9929588578073678,
0.03635675
],
[
-1.6179320693311745,
4.854664402192632,
0.03635675
],
[
-0.60266727,
-1.035918075,
3.577423435
],
[
-0.5637704894798402,
2.85485106962288,
3.613780185
],
[
2.7604145694798405,
0.920936040... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Na",
"U",
"Mn",
"Mn",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.18181818181818182,
0.5454545454545454,
0.09090909090909091
] | [
[
1.0651537,
-0.05648364,
0.04947159
],
[
-0.05648364,
1.0009252,
0.08503616
],
[
0.0494716,
0.08503618,
0.9890573
]
] | -62.826607 | [
0.005,
0.005,
1.71,
3.943,
3.943,
-0.041,
-0.041,
-0.041,
-0.041,
-0.041,
-0.041
] | [
[
0.00167553,
-0.00097478,
0
],
[
-0.00167553,
0.00097478,
0
],
[
0,
0,
0
],
[
-0.00542477,
0.00315597,
0
],
[
0.00542477,
-0.00315597,
0
],
[
-0.00202729,
-0.00348469,
-0.00539295
],
[
0.00039506,
-0.00020711,
... | 10.000294 | 6.837892 | pbe | true | 31f9fa99fbe37325d7639e4c2850e5b3_12_Na2U1Mn2Se6 |
[
"Mn",
"Nb",
"Y",
"Zr"
] | 5 | A2BCD | MnNb2YZr | Y1 Zr1 Mn1 Nb2 | 4 | [
1,
1,
1
] | 3 | [
[
4.85472503,
0,
0
],
[
0,
5.38915826,
0
],
[
0,
0,
4.85472503
]
] | agm001544978 | [
[
0,
2.69457913,
0
],
[
0,
0,
2.427362515
],
[
2.427362515,
0,
0
],
[
2.427362515,
2.69457913,
2.427362515
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mn", "attached"... | [
"Y",
"Nb",
"Nb",
"Mn",
"Zr"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
2.5707865,
0,
0
],
[
0,
1.3125297,
0
],
[
0,
0,
2.5707865
]
] | -34.601895 | [
0.024,
-0.006,
-0.058,
0.144,
-0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.065548 | 9.175805 | pbe | true | 9180ef91d25cb668c4c2bf77d7d37b60_123_Y1Zr1Mn1Nb2 |
[
"Mn",
"O",
"Os",
"Sb"
] | 8 | ABCD | MnOOsSb | Mn2 Sb2 Os2 O2 | 4 | [
1,
1,
1
] | 3 | [
[
7.97427023,
0,
0.07541513
],
[
0,
3.11225059,
0
],
[
-0.09516601,
0,
5.386678
]
] | agm002117531 | [
[
5.937452944661338,
0,
4.047957731055616
],
[
5.985035949661338,
1.556125295,
1.354618731055617
],
[
2.1495180075314506,
0,
4.0538904330242085
],
[
2.197101012531451,
1.556125295,
1.3605514330242088
],
[
0.1645553488948283,
0,
2.2230662360... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sb", "attached": ... | [
"Mn",
"Mn",
"Sb",
"Sb",
"Os",
"Os",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
0.7027845,
0,
-0.04927014
],
[
0,
0.31648025,
0
],
[
-0.04926944,
0,
0.4225885
]
] | -57.061345 | [
4.124,
4.124,
0.012,
0.012,
-0.248,
-0.248,
-0.064,
-0.064
] | [
[
-0.00211222,
0,
0.00095781
],
[
-0.00211222,
0,
0.00095781
],
[
0.00028413,
0,
-0.00351332
],
[
0.00028413,
0,
-0.00351332
],
[
0.00009109,
0,
-0.00038342
],
[
0.00009109,
0,
-0.00038342
],
[
0.00173701,
0,
... | 7.882059 | 2.173178 | pbe | true | f24307b9248463a0ef7e2102679e2d2d_8_Mn2Sb2Os2O2 |
[
"Mn",
"O",
"Pu",
"Rb"
] | 9 | A6BCD | MnO6PuRb | Rb1 Pu1 Mn1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.27623398,
0.00025281,
0.00140446
],
[
2.63796608,
4.57161747,
0.0012385
],
[
-0.0159562,
-0.0007666,
6.41970741
]
] | agm005069123 | [
[
2.6218768312029983,
4.570310886696621,
6.420882127695665
],
[
2.629959986582762,
1.5232017837736396,
3.210672599416701
],
[
5.267988341903635,
3.047894399540009,
3.2115543041793235
],
[
6.215058167128604,
1.7367745794174352,
2.1335236854914874
],
[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Rb", "attached": ... | [
"Rb",
"Pu",
"Mn",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.6666666666666666,
0.1111111111111111,
0.1111111111111111
] | [
[
0.6964963,
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],
[
0.00257607,
0.6862655,
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],
[
0.08331469,
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0.7306589
]
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3.116,
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[
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-0.0021... | 3.999996 | 0.124504 | pbe | true | 5c9870821389ba09554819b057dde4fe_149_Rb1Pu1Mn1O6 |
[
"Mn",
"O",
"Pu",
"Y"
] | 12 | A8B2CD | MnO8PuY2 | Y2 Pu1 Mn1 O8 | 4 | [
1,
1,
1
] | 3 | [
[
4.98005693,
-0.19062763,
0.16281859
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[
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pu", "attached": ... | [
"Y",
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"O",
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] | 2023-11-16 06:57:59 | [
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[
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-0.0025682,... | -3.036669 | -0.255214 | pbe | true | 9fde73ecffa73548b410837d4187f2c7_2_Y2Pu1Mn1O8 |
[
"Mn",
"O",
"Se",
"Tb"
] | 7 | A2B2C2D | MnO2Se2Tb2 | Tb2 Mn1 Se2 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.80943061,
0,
0
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[
1.90471531,
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[
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1... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Se", "attached": ... | [
"Tb",
"Tb",
"Mn",
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] | 2023-11-16 06:57:59 | [
0.14285714285714285,
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] | -50.035196 | [
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0,
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] | 4.999999 | 0 | pbe | true | 67527bed273526e8f07a2637c735a893_12_Tb2Mn1Se2O2 |
[
"Mn",
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"Tl"
] | 14 | A4BCD | MnO4TeTl | Mn2 Tl2 Te2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
5.71391047,
0,
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[
0,
5.78273149,
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[
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] | agm005049749 | [
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[
0.078835234640... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Te", "attached"... | [
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] | 2023-11-16 06:57:59 | [
0.14285714285714285,
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[
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[
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0.0010128... | 7.999815 | 0.419434 | pbe | true | ddc4f51343c0931408ab2f6fa62ba9a2_11_Mn2Tl2Te2O8 |
[
"Mn",
"S",
"Tl",
"V"
] | 12 | A3BCD | MnS3TlV | Mn2 Tl2 V2 S6 | 4 | [
1,
1,
1
] | 3 | [
[
3.47289669,
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0
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[
-1.73608053,
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0
],
[
0,
0,
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] | agm002353881 | [
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[
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[
1.736090814818414... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mn", "attached": ... | [
"Tl",
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"Mn",
"Mn",
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"S",
"S",
"S",
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"V",
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] | 2023-11-16 06:57:59 | [
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[
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0.026,
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[
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[
-0.00... | 4.649308 | 6.638092 | pbe | true | cba2d1f1eb5677f2cec12b4e29c72358_63_Mn2Tl2V2S6 |
[
"Mo",
"N",
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"Sm"
] | 80 | A12B3C3D2 | Mo2N12Re3Sm3 | Mo2 N12 Re3 Sm3 | 4 | [
1,
1,
1
] | 3 | [
[
-6.412878763,
6.412878763,
6.412878763
],
[
6.412878763,
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6.412878763
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[
6.412878763,
6.412878763,
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]
] | oqmd-7681410 | [
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0,
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[
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[
3.20644,
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[
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[
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[
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6.41288,
8.482632895973712e-1... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Re", "attached": ... | [
"Mo",
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... | 2024-11-01 00:00:00 | [
0.1,
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[
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0.00... | [
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... | 0.01335 | null | pbe | true | f27d07b63c956361ee0db93868e84d42_230_Sm12Re12Mo8N48 |
[
"Mn",
"Sr",
"Ti",
"Zn"
] | 5 | A2BCD | MnSrTi2Zn | Sr1 Ti2 Mn1 Zn1 | 4 | [
1,
1,
1
] | 3 | [
[
4.75144649,
0,
0
],
[
0,
4.39847289,
0
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[
0,
0,
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[
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[
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[
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Zn",
"Mn",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
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0.2
] | [
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0
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[
0,
4.0275726,
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[
0,
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] | -17.378213 | [
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0.000345 | 7.502595 | pbe | true | 890cd094a135888d50a520deea7ae47e_123_Sr1Ti2Mn1Zn1 |
[
"Mo",
"N",
"Rh",
"Se"
] | 5 | A2BCD | MoNRhSe2 | Mo1 Rh1 Se2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.01004042,
0,
0
],
[
0,
5.01004042,
0
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[
0,
0,
3.73461612
]
] | agm001795998 | [
[
0,
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[
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[
0,
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[
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[
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rh", "attached"... | [
"Mo",
"Rh",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.4
] | [
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[
0,
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[
0,
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] | -30.668854 | [
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000043 | 3.373337 | pbe | true | bafcb0fd680e725a1a840575d3007498_123_Mo1Rh1Se2N1 |
[
"Mo",
"Np",
"O",
"V"
] | 18 | A6BCD | MoNpO6V | Np2 V2 Mo2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.30962462,
0,
0
],
[
-2.65481231,
4.59826981,
0
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[
0,
0,
9.17426167
]
] | agm005082088 | [
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[
2.6548123365481233,
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[
0,
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Np", "attached": ... | [
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"O",
"O",
"O",
"O",
"O",
"O",
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"O",
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] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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[
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0
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[
0,
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[
0,
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] | -154.452141 | [
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[
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[
-0.00254989,
-0.000... | 11.999998 | 10.402834 | pbe | true | f45ea6ae38cfdd4cd1f9dcbdf7cac327_163_Np2V2Mo2O12 |
[
"Mo",
"O",
"P",
"Rb"
] | 44 | A7B2CD | MoO7P2Rb | Mo4 O28 P8 Rb4 | 4 | [
1,
1,
1
] | 3 | [
[
7.69716515,
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0
],
[
-2.36925566,
8.26697719,
0
],
[
0,
0,
10.61996229
]
] | mp-16856 | [
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2.907754623064741,
1.9399075295517771,
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[
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[
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[
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[
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"Th",
"U"
] | 8 | A4B2CD | N4Nd2ThU | Nd2 Th1 U1 N4 | 4 | [
1,
1,
1
] | 3 | [
[
3.59220607,
0,
0
],
[
0,
6.23102589,
0.12533981
],
[
0,
-2.16207113,
5.81302794
]
] | agm004848014 | [
[
1.796103035,
-1.081035565,
2.90651397
],
[
0,
2.03447738,
2.9691838749999997
],
[
1.796103035,
3.115512945,
0.062669905
],
[
0,
0,
0
],
[
1.796103035,
0.8903265374040655,
1.2487646411433133
],
[
1.796103035,
3.178628222595934,... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "N", "attached":... | [
"Nd",
"Nd",
"Th",
"U",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.125,
0.125
] | [
[
0.5639444,
0,
0
],
[
0,
0.3144342,
0.04248597
],
[
0,
0.04248593,
0.5796358
]
] | -73.231736 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00398747,
-0.00056117
],
[
0,
0.00398747,
0.00056117
],
[
0,
-0.00407067,
-0.00092431
],
[
0,
0.00407067,
0.00092431
]
] | 0.000154 | 3.074755 | pbe | true | b4b8f9393b7ff3610dd3f13d97318b6a_10_Nd2Th1U1N4 |
[
"N",
"Ni",
"Ti",
"W"
] | 5 | A2BCD | NNiTi2W | Ti2 Ni1 W1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.86872951,
0,
0
],
[
0,
3.84520744,
0
],
[
0,
0,
4.86872951
]
] | agm001483002 | [
[
2.434364755,
1.92260372,
2.434364755
],
[
0,
1.92260372,
0
],
[
0,
0,
0
],
[
0,
0,
2.434364755
],
[
2.434364755,
0,
0
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": ... | [
"Ni",
"N",
"W",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
-1.9403783,
0,
0
],
[
0,
6.7368894,
0
],
[
0,
0,
-1.9403783
]
] | -37.695517 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000012 | 6.136944 | pbe | true | 861180275951d32d746d7f2970fcd427_123_Ti2Ni1W1N1 |
[
"N",
"O",
"Pb",
"Rb"
] | 5 | A2BCD | N2OPbRb | Rb1 Pb1 N2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.23183102,
0,
0
],
[
0,
5.23183102,
0
],
[
0,
0,
5.07032212
]
] | agm001727732 | [
[
2.61591551,
2.61591551,
2.53516106
],
[
0,
0,
2.53516106
],
[
0,
0,
0
],
[
0,
2.61591551,
0
],
[
2.61591551,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Rb", "attached": ... | [
"Pb",
"O",
"Rb",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
-17.033459,
0,
0
],
[
0,
-17.033459,
0
],
[
0,
0,
-28.06951
]
] | -16.559359 | [
-0.221,
0.781,
0.138,
1.515,
1.515
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.999254 | 2.037888 | pbe | true | 51fd59ea73891c65ecfc3c7d6ab04566_123_Rb1Pb1N2O1 |
[
"N",
"O",
"Re",
"Sn"
] | 5 | A2BCD | N2OReSn | Re1 Sn1 N2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.15022654,
0,
0
],
[
0,
4.15022654,
0
],
[
0,
0,
3.91312124
]
] | agm001728292 | [
[
2.07511327,
2.07511327,
1.95656062
],
[
0,
0,
0
],
[
0,
0,
1.95656062
],
[
0,
2.07511327,
0
],
[
2.07511327,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Re", "attached": ... | [
"Re",
"Sn",
"O",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
0.8823777,
0,
0
],
[
0,
0.8823777,
0
],
[
0,
0,
0.19396897
]
] | -30.676723 | [
3.3,
0.015,
0.067,
-0.313,
-0.313
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.005044 | 2.490341 | pbe | true | f3ea159531c491a8c3ebb7dae1d0853d_123_Re1Sn1N2O1 |
[
"N",
"O",
"Re",
"Te"
] | 5 | A2BCD | N2OReTe | Re1 Te1 N2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
3.90963596,
0,
0
],
[
0,
3.90963596,
0
],
[
0,
0,
4.06657808
]
] | agm001738996 | [
[
1.95481798,
1.95481798,
2.03328904
],
[
0,
0,
2.03328904
],
[
0,
0,
0
],
[
0,
1.95481798,
0
],
[
1.95481798,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Te", "attached": ... | [
"Re",
"Te",
"O",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
0.03000936,
0,
0
],
[
0,
0.03000936,
0
],
[
0,
0,
1.3460395
]
] | -26.158568 | [
-0.004,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00287 | 3.573885 | pbe | true | ae91010a773f040de4e23b53acac6efa_123_Re1Te1N2O1 |
[
"N",
"O",
"Rh",
"Ta"
] | 5 | A2BCD | NO2RhTa | Ta1 Rh1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.91831022,
0,
0
],
[
0,
3.91831022,
0
],
[
0,
0,
4.17359589
]
] | agm001750928 | [
[
0,
0,
2.086797945
],
[
1.95915511,
1.95915511,
2.086797945
],
[
0,
1.95915511,
0
],
[
1.95915511,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Rh", "attached": ... | [
"N",
"Rh",
"O",
"O",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.8635544,
0,
0
],
[
0,
0.8635544,
0
],
[
0,
0,
0.42793795
]
] | -40.91014 | [
0.228,
1.698,
0.138,
0.138,
-0.031
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.365568 | 5.18771 | pbe | true | 84dcb4db52c5a854ac408ee424e87c85_123_Ta1Rh1N1O2 |
[
"N",
"O",
"Sc",
"Se"
] | 5 | A2BCD | NOScSe2 | Sc1 Se2 N1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.27596015,
0,
0
],
[
0,
4.27596015,
0
],
[
0,
0,
4.01193615
]
] | agm001796447 | [
[
2.137980075,
2.137980075,
2.005968075
],
[
0,
0,
0
],
[
0,
2.137980075,
0
],
[
2.137980075,
0,
0
],
[
0,
0,
2.005968075
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
"O",
"Se",
"Se",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
24.28234,
0,
0
],
[
0,
24.28234,
0
],
[
0,
0,
21.10464
]
] | -24.679495 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000087 | 1.713188 | pbe | true | 1115e35add9012d3df42713549bf34f0_123_Sc1Se2N1O1 |
[
"N",
"O",
"Se",
"Tc"
] | 5 | A2BCD | NOSe2Tc | Tc1 Se2 N1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.89082349,
0,
0
],
[
0,
4.89082349,
0
],
[
0,
0,
3.68874091
]
] | agm001796456 | [
[
2.445411745,
2.445411745,
1.844370455
],
[
0,
0,
0
],
[
0,
2.445411745,
0
],
[
2.445411745,
0,
0
],
[
0,
0,
1.844370455
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tc", "attached": ... | [
"O",
"Tc",
"Se",
"Se",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.9462568,
0,
0
],
[
0,
0.9462568,
0
],
[
0,
0,
0.8031688
]
] | -26.553765 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00054 | 5.194154 | pbe | true | 3e299c8cc1ff739e4b60457f888e2404_123_Tc1Se2N1O1 |
[
"N",
"O",
"Sn",
"V"
] | 5 | A2BCD | NO2SnV | V1 Sn1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
4.04242976,
0,
0
],
[
0,
4.04242976,
0
],
[
0,
0,
4.10993374
]
] | agm001751736 | [
[
0,
0,
2.05496687
],
[
0,
0,
0
],
[
0,
2.02121488,
0
],
[
2.02121488,
0,
0
],
[
2.02121488,
2.02121488,
2.05496687
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "V", "attached": n... | [
"N",
"Sn",
"O",
"O",
"V"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
1.079188,
0,
0
],
[
0,
1.079188,
0
],
[
0,
0,
0.41424513
]
] | -30.147852 | [
-0.446,
0.016,
-0.097,
-0.097,
2.622
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.999508 | 1.360961 | pbe | true | d52e46be1bc2deaeac19ea4d414636e1_123_V1Sn1N1O2 |
[
"N",
"O",
"Tc",
"V"
] | 5 | A2BCD | N2OTcV | V1 Tc1 N2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
3.88997452,
0,
0
],
[
0,
3.88997452,
0
],
[
0,
0,
3.65075463
]
] | agm001728633 | [
[
0,
1.94498726,
0
],
[
1.94498726,
0,
0
],
[
1.94498726,
1.94498726,
1.825377315
],
[
0,
0,
1.825377315
],
[
0,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "V", "attached": n... | [
"N",
"N",
"Tc",
"O",
"V"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
1.4155401,
0,
0
],
[
0,
1.4155401,
0
],
[
0,
0,
0.96692944
]
] | -36.946833 | [
-0.189,
-0.189,
3.34,
0.035,
0.602
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.808189 | 1.927896 | pbe | true | ba74323ad39944d7b327c951e8239c26_123_V1Tc1N2O1 |
[
"N",
"O",
"Zn",
"Zr"
] | 5 | A2BCD | NO2ZnZr | Zr1 Zn1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.73350763,
0,
0
],
[
0,
3.73350763,
0
],
[
0,
0,
3.90560039
]
] | agm001751905 | [
[
0,
0,
0
],
[
0,
1.866753815,
0
],
[
1.866753815,
0,
0
],
[
1.866753815,
1.866753815,
1.952800195
],
[
0,
0,
1.952800195
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Zn", "attached": ... | [
"Zn",
"O",
"O",
"Zr",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.50917315,
0,
0
],
[
0,
0.50917315,
0
],
[
0,
0,
0.96342033
]
] | -31.564193 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.645531 | pbe | true | 927b2ea058c62a92086f5c20840d8d8a_123_Zr1Zn1N1O2 |
[
"N",
"Os",
"Ru",
"S"
] | 5 | A2BCD | NOsRuS2 | Ru1 Os1 S2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.71440422,
0,
0
],
[
0,
4.71440422,
0
],
[
0,
0,
3.5680101
]
] | agm001774073 | [
[
0,
0,
0
],
[
0,
2.35720211,
0
],
[
2.35720211,
0,
0
],
[
2.35720211,
2.35720211,
1.78400505
],
[
0,
0,
1.78400505
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "N", "attached": n... | [
"Ru",
"S",
"S",
"Os",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
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0.2,
0.4
] | [
[
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0
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[
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[
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] | -30.823505 | [
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1.108,
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[
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[
0,
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[
0,
0,
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] | 1.194499 | 5.588424 | pbe | true | 0cee7c960845629c0ffb827700c1f19b_123_Ru1Os1S2N1 |
[
"N",
"Pa",
"Rh",
"W"
] | 18 | A5B2CD | N5Pa2RhW | Pa4 Rh2 W2 N10 | 4 | [
1,
1,
1
] | 3 | [
[
3.31275016,
0,
0
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[
-1.65637508,
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[
0,
0,
10.29819267
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] | agm005162674 | [
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[... | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Rh", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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0... | 0.000111 | 9.183362 | pbe | true | 68abb459b71173e2dd3830950d0d9fd9_36_Pa4Rh2W2N10 |
[
"N",
"Ti",
"Tl",
"Zr"
] | 5 | A2BCD | NTi2TlZr | Zr1 Ti2 Tl1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.19751268,
0
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[
0,
0,
4.62711712
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] | agm001619928 | [
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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": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ti", "attached"... | [
"Tl",
"N",
"Zr",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
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0.2,
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[
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[
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] | -38.783034 | [
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[
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[
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[
0,
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] | 0 | 3.54091 | pbe | true | 8071a6ecb484142b003875eb8f1501e0_123_Zr1Ti2Tl1N1 |
[
"N",
"Tb",
"Th",
"Zr"
] | 12 | A3BCD | N3TbThZr | Tb2 Th2 Zr2 N6 | 4 | [
1,
1,
1
] | 3 | [
[
3.36023184,
0,
0
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[
0,
6.37797516,
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[
0,
-1.81382599,
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] | agm005040984 | [
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[
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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": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Th", "attached"... | [
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"N",
"N",
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] | 2023-11-16 06:57:59 | [
0.5,
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[
0,
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] | -106.718158 | [
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0.004,
0.009,
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[
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[
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[
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0.00148236,
... | 1.455 | 5.256024 | pbe | true | 0330a3d74d916fad0dc372331e570f4c_11_Tb2Th2Zr2N6 |
[
"Na",
"Nb",
"Rb",
"Re"
] | 5 | A2BCD | NaNbRb2Re | Rb2 Na1 Nb1 Re1 | 4 | [
1,
1,
1
] | 3 | [
[
6.96303169,
0,
0
],
[
0,
4.68736495,
0
],
[
0,
0,
6.96303169
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] | agm001602555 | [
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0,
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[
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[
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[
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],
[
3.481515845,
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] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Re", "attached"... | [
"Re",
"Nb",
"Rb",
"Rb",
"Na"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
1.2327973,
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0
],
[
0,
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[
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] | -19.192657 | [
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[
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[
0,
0,
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[
0,
0,
0
]
] | 0.000091 | 4.022131 | pbe | true | a3d0dc639abe222af32cca6c1c4df020_123_Rb2Na1Nb1Re1 |
[
"Na",
"Ni",
"O",
"Zr"
] | 12 | A6B3C2D | Na3Ni2O6Zr | Na3 Zr1 Ni2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.33847893,
0.04521087,
-0.00625483
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[
-2.62878,
4.64660274,
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[
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5.47985449
]
] | agm004624398 | [
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[
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[
2.... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": ... | [
"Na",
"Na",
"Na",
"Zr",
"Ni",
"Ni",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.5,
0.08333333333333333
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[
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[
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[
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1.616,
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[
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[
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[
0.001... | 2.999776 | 4.565732 | pbe | true | 1ef28d2a12eebe67ce24b8614f2c6885_12_Na3Zr1Ni2O6 |
[
"Na",
"Np",
"O",
"Rb"
] | 7 | A4BCD | NaNpO4Rb | Rb1 Na1 Np1 O4 | 4 | [
1,
1,
1
] | 3 | [
[
4.34123686,
0,
0
],
[
0,
4.34123686,
0
],
[
-2.17061843,
-2.17061843,
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]
] | agm005058689 | [
[
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[
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[
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6.880473150472057
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[
2.1706184299999998,
1.197340385283951e-16,
6.82466772476559... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Np", "attached": ... | [
"Rb",
"Na",
"Np",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.14285714285714285,
0.5714285714285714,
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[
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[
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] | -51.895652 | [
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1.17,
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[
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[
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[
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[
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[
0,
0,
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[
0,
0,
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]
] | 1.000017 | 2.112257 | pbe | true | 5fcef6c32bf2a258c4879fe3ca5f506b_107_Rb1Na1Np1O4 |
[
"Na",
"Np",
"O",
"Rb"
] | 12 | A3BCD | NaNpO3Rb | Rb2 Na2 Np2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
3.59173111,
0,
0
],
[
0,
9.39778266,
0.34718241
],
[
0,
-2.15053256,
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]
] | agm005031845 | [
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[
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[
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[
0.8979327775,
5.9... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Np", "attached": ... | [
"Rb",
"Rb",
"Na",
"Na",
"Np",
"Np",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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0.5,
0.16666666666666666
] | [
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0
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[
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[
0,
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] | -86.517021 | [
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3.107,
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[
0,
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[
0,
0.00006647,
-0.... | 6.00033 | 12.353128 | pbe | true | c4cc67819cbaf7e09b7c64fc236ad8d4_11_Rb2Na2Np2O6 |
[
"Na",
"Np",
"Pu",
"Te"
] | 16 | A8B4C3D | Na4Np3PuTe8 | Na4 Pu1 Np3 Te8 | 4 | [
1,
1,
1
] | 3 | [
[
8.96901857,
0,
0
],
[
0,
9.12218074,
0.08750681
],
[
-4.48450929,
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6.34857187
]
] | agm004732598 | [
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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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[
2.24225463... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Np", "attached"... | [
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"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.5
] | [
[
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0
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[
0,
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[
0,
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] | -97.549932 | [
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[
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[
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[
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[
0,
-0.00257381,
... | 17.000349 | 46.063347 | pbe | true | 239f48ef12b54667941aa997cd447407_166_Na4Pu1Np3Te8 |
[
"Na",
"O",
"P",
"Rb"
] | 5 | A2BCD | NaO2PRb | Rb1 Na1 P1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
5.07437928,
0,
0
],
[
0,
5.07437928,
0
],
[
0,
0,
6.33465999
]
] | agm001754339 | [
[
0,
0,
3.167329995
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[
0,
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0
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[
2.53718964,
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0
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[
0,
0,
0
],
[
2.53718964,
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3.167329995
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached": ... | [
"P",
"O",
"O",
"Rb",
"Na"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
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0,
0
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[
0,
0.30255547,
0
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[
0,
0,
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] | -14.012758 | [
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1.022,
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] | [
[
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5 | 2.648394 | pbe | true | 38e0d143ae97469f8576131e9d328fca_123_Rb1Na1P1O2 |
[
"Na",
"O",
"P",
"Ta"
] | 62 | A21B6C2D2 | Na2O21P6Ta2 | Na4 O42 P12 Ta4 | 4 | [
1,
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[
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1,
1
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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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1,
1
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0.00034... | -0 | 11.590652 | pbe | true | eec7a8a09e76c0e3bd533b002a74512f_166_Th2Ni12Sb1P3 |
[
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1,
1
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[
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1,
1
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[
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1,
1
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[
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1,
1
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[
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0.00046... | 4 | 2.073344 | pbe | true | 7ef4657a979674e7d9caf4efed362896_164_Tm1Np1P2O8 |
[
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[
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[
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1
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[
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[
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1,
1,
1
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[
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1,
1
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0.001... | 0 | 0 | pbe | true | 8840c9d24cf0644ea26005daba2786a0_139_Rb2Ta1P1O6 |
[
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1
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7.5193... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Zn", "attached": ... | [
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[
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[
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[
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] | agm001763142 | [
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] | 2.729487 | 3.575032 | pbe | true | 9a4427498325b7c30384c00c1c0e4a49_123_Ti1Tc1P2O1 |
[
"O",
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1,
1,
1
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pa", "attached": ... | [
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[
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-0.0025... | 0.831141 | 4.057775 | pbe | true | 084b9a42296267584d02ded0270b0f22_146_Sr1Pa1Pb2O6 |
[
"O",
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"Rb",
"Si"
] | 16 | A4B2CD | O4PrRb2Si | Rb4 Pr2 Si2 O8 | 4 | [
1,
1,
1
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[
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0,
0
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[
2.93982854,
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[
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] | agm004767758 | [
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Rb", "attached": ... | [
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"O",
"O",
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] | 2023-11-16 06:57:59 | [
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[
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0.0031... | 0 | 3.822986 | pbe | true | fec1a0baee1ccf9fbf32684e476d2d0b_70_Rb4Pr2Si2O8 |
[
"O",
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"Tl"
] | 20 | A6B2CD | O6Pr2ScTl | Pr4 Sc2 Tl2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
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[
0,
6.01364192,
0
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[
0.00167222,
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[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pr", "attached": ... | [
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... | -0 | 0 | pbe | true | 6d6c179217c399305b5bc54c67704dfb_14_Pr4Sc2Tl2O12 |
[
"O",
"Pt",
"Sc",
"Ti"
] | 5 | A2BCD | OPtScTi2 | Sc1 Ti2 Pt1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.1125587,
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[
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pt", "attached": ... | [
"Sc",
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"Ti",
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] | 0.000002 | 3.12689 | pbe | true | a15f75d07ebfdb587bbf6ddb742ab331_123_Sc1Ti2Pt1O1 |
[
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1,
1,
1
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[
4.35159145,
0,
0
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[
0,
4.35159145,
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[
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[
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2.... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": nul... | [
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] | 2023-11-16 06:57:59 | [
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... | 1.000738 | 6.636674 | pbe | true | ca2e962bc02f611517aa39173d524c6b_139_Rb3U2S2O5 |
[
"O",
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"Si",
"Tl"
] | 8 | A4B2CD | O4Rb2SiTl | Rb2 Tl1 Si1 O4 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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2.32083028185622... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rb", "attached": ... | [
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[
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-0.003... | 0.942378 | 2.484676 | pbe | true | 8f9301147a884063060319b40ae24db8_82_Rb2Tl1Si1O4 |
[
"O",
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1,
1,
1
] | 3 | [
[
3.69303949,
0,
0
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[
0,
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[
0,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tc", "attached": nu... | [
"S",
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[
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[
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[
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] | 0 | 2.244375 | pbe | true | db97a8a590915fe168ebdb2ab371ac07_123_Si1Tc1S1O2 |
[
"O",
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"Y",
"Zr"
] | 18 | A6BCD | O6SbYZr | Y2 Zr2 Sb2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.42422286,
0,
0
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[
-2.71211143,
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[
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[
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[
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] | 2023-11-16 06:57:59 | [
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[
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-0.000... | 0 | 0 | pbe | true | 8015ff35cb2d42e984abb8282e40f624_163_Y2Zr2Sb2O12 |
[
"Os",
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"S",
"Th"
] | 8 | A4B2CD | Os2PdSTh4 | Th4 Os2 Pd1 S1 | 4 | [
1,
1,
1
] | 3 | [
[
4.13341819,
0,
0
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[
0,
7.23394344,
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[
0,
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] | agm004829375 | [
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[
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[
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3.42... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Os", "attached": ... | [
"Th",
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0.5
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[
1.5831541,
0,
0
],
[
0,
1.5376004,
0.00102191
],
[
0,
0.00102196,
1.5538824
]
] | -67.740654 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0.00343278
],
[
0,
0.00039688,
-0.00343278
],
[
0,
0.00016401,
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[
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
]
] | -0.000001 | 2.983781 | pbe | true | 927c263fca9764c4c7b3bf68dec30ad9_10_Th4Os2Pd1S1 |
[
"Os",
"Pt",
"Rb",
"Y"
] | 5 | A2BCD | OsPtRbY2 | Rb1 Y2 Os1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
5.48054154,
0,
0
],
[
0,
4.96954536,
0
],
[
0,
0,
5.48054154
]
] | agm001456158 | [
[
0,
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[
2.74027077,
0,
0
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[
0,
2.48477268,
0
],
[
2.74027077,
2.48477268,
2.74027077
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached"... | [
"Y",
"Y",
"Os",
"Rb",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
4.792218,
0,
0
],
[
0,
1.3227746,
0
],
[
0,
0,
4.792218
]
] | -29.112465 | [
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[
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 | 4.330521 | pbe | true | 994d06a054f923f402417069b08ffc5d_123_Rb1Y2Os1Pt1 |
[
"Pb",
"Pu",
"Sn",
"Tl"
] | 4 | ABCD | PbPuSnTl | Pu1 Tl1 Sn1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.69898677,
0,
0
],
[
0,
4.77058302,
0
],
[
0,
0,
4.83791911
]
] | agm005203455 | [
[
2.349493385,
2.38529151,
0
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[
2.349493385,
0,
2.418959555
],
[
0,
0,
0
],
[
0,
2.38529151,
2.418959555
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pb", "attached"... | [
"Pu",
"Tl",
"Sn",
"Pb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
6.628559,
0,
0
],
[
0,
6.578378,
0
],
[
0,
0,
6.67251
]
] | -25.113703 | [
-5.375,
0.008,
0.037,
0.016
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -5.512734 | 11.364665 | pbe | true | d84eb9bb5882156cd0df69c1bde8f718_47_Pu1Tl1Sn1Pb1 |
[
"Pb",
"Pm",
"Pt",
"Si"
] | 20 | A6B2CD | PbPm2Pt6Si | Pm4 Si2 Pt12 Pb2 | 4 | [
1,
1,
1
] | 3 | [
[
5.57844644,
0,
0
],
[
0,
8.87250155,
0
],
[
0,
0,
8.66862541
]
] | agm004937034 | [
[
2.78922322,
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[
0,
2.2331044769668034,
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[
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[
0,
2.2331044769668034,
2.2746443602513606
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[
2.78922322,
2.0328600135096826,
4.334... | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
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"Si",
"Si",
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"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.1,
0.2,
0.6,
0.1
] | [
[
5.526849,
0,
0
],
[
0,
5.4641733,
0
],
[
0,
0,
5.6311035
]
] | -125.568005 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
[
0,
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[
0,
0.00297008,
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[
0,
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[
0,
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[
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[
0,
0.00864645,
0
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[
0,
0.00454861,
0.00484991
],
... | 0.000002 | 11.479506 | pbe | true | 0993c0375f24b808d4b093bbfdb4f8a4_59_Pm4Si2Pt12Pb2 |
[
"Pb",
"S",
"Sc",
"Sn"
] | 18 | A5B2CD | Pb2S5ScSn | Sc2 Sn2 Pb4 S10 | 4 | [
1,
1,
1
] | 3 | [
[
3.95259041,
0,
0
],
[
-1.97629521,
8.48284268,
0
],
[
0,
0,
13.405027
]
] | agm005155346 | [
[
1.976295202183973,
4.777582974383325,
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[
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3.705259705616674,
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[
1.9762951847918873,
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12.653552848753492
],
[
1.5208112605977157e-8,
7.727597127744691,
5.95103934875349
],
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pb", "attached": ... | [
"Sc",
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"Pb",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.5555555555555556,
0.1111111111111111,
0.1111111111111111
] | [
[
2.0004444,
0,
0
],
[
0,
1.983806,
0
],
[
0,
0,
2.1092653
]
] | -91.007595 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
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0,
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] | [
[
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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,
0.00016301,
0.... | -0.000094 | 7.447178 | pbe | true | 8dfb6ed15e2a577aed600c89a8381c31_36_Sc2Sn2Pb4S10 |
[
"Pb",
"Sb",
"Sm",
"Th"
] | 4 | ABCD | PbSbSmTh | Sm1 Th1 Sb1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.53130895,
0,
0
],
[
2.26565447,
3.92422867,
0
],
[
2.26565447,
1.30807622,
7.36222239
]
] | agm005213061 | [
[
6.796963396781755,
3.924228656357538,
1.240608242183348
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[
4.531308921788763,
2.616152431364546,
4.906240438230597
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[
2.2656544946049864,
1.3080762350292041,
3.0587634682173097
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[
6.796963394275605,
3.924228653851388,
6.775858555859569
]
] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pb", "attached"... | [
"Sm",
"Th",
"Sb",
"Pb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.7871279,
0,
0
],
[
0,
1.7871279,
0
],
[
0,
0,
1.7991961
]
] | -22.828911 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00361785
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[
0,
0,
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[
0,
0,
0.00194805
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[
0,
0,
-0.00291004
]
] | -0.000003 | 1.702917 | pbe | true | aa92d8a684f1d9a0bbb9fd664f1135ba_160_Sm1Th1Sb1Pb1 |
[
"Pb",
"Se",
"Sn",
"Sr"
] | 8 | A4B2CD | PbSe4SnSr2 | Sr2 Sn1 Pb1 Se4 | 4 | [
1,
1,
1
] | 3 | [
[
4.40492468,
-0.00000211,
-0.00000142
],
[
0.00004642,
7.65716299,
-0.16056358
],
[
0.00004136,
2.68488558,
7.1447599
]
] | agm004819890 | [
[
0.000041360005059999996,
2.68489055227741,
7.14475259467652
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[
2.2024830200050602,
1.34244670727741,
3.5723719346765206
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[
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5.170990424006114,
3.49213127480032
],
[
2.20252250512427,
6.513476163303805,
7.064473586776101
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[
... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pb", "attached"... | [
"Sr",
"Sr",
"Sn",
"Pb",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.125,
0.25
] | [
[
1.6591135,
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[
0.00000907,
1.5781443,
0.05247751
],
[
0.00000555,
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1.6536206
]
] | -35.066315 | [
0,
0,
0,
0,
0,
0,
0,
0
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[
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[
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[
0,
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[
0,
0,
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[
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[
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[
0,
-0.00197924,
0.00319715
],
[
0,
0.00197924,
-0.00319715
]
] | 0 | -0.000368 | pbe | true | 98ee22ab733e229f13422fb768868ab6_10_Sr2Sn1Pb1Se4 |
[
"Pd",
"Pr",
"Rh",
"Sb"
] | 10 | A4B3C2D | Pd4Pr2RhSb3 | Pr2 Sb3 Pd4 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.34031281,
0,
0
],
[
0,
4.34031281,
0
],
[
0,
0,
11.4935415
]
] | agm004538502 | [
[
2.170156405,
0,
3.0241465036617443
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[
0,
2.170156405,
8.469394996338254
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[
0,
0,
5.74677075
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[
2.170156405,
0,
9.95902199376441
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[
0,
2.170156405,
1.5345195062355899
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[
2.170156405,
2.170156405,
0
],
[
0,... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Rh", "attached"... | [
"Pr",
"Pr",
"Sb",
"Sb",
"Sb",
"Pd",
"Pd",
"Pd",
"Pd",
"Rh"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.1,
0.3
] | [
[
3.983867,
0,
0
],
[
0,
3.983867,
0
],
[
0,
0,
4.4385824
]
] | -57.290163 | [
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0,
0,
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0,
0,
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0
] | [
[
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[
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[
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[
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[
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[
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[
0,
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0
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[
0,
0,
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[
0,
0,
0.00214065
],
... | -0.000003 | 7.2996 | pbe | true | ef34dd5c1b49931dd8c6276f8c200714_115_Pr2Sb3Pd4Rh1 |
[
"Pr",
"S",
"Sm",
"Tm"
] | 9 | A5B2CD | Pr2S5SmTm | Pr2 Sm1 Tm1 S5 | 4 | [
1,
1,
1
] | 3 | [
[
4.83022919,
0,
0
],
[
0,
4.83022919,
0
],
[
0,
0,
10.39884223
]
] | agm005173939 | [
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[
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[
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[
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[
0,
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[
2.415114595,
0,
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[
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0,
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Tm", "attached": ... | [
"Pr",
"Pr",
"Sm",
"Tm",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.5555555555555556,
0.1111111111111111,
0.1111111111111111
] | [
[
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0,
0
],
[
0,
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0
],
[
0,
0,
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] | -53.152301 | [
0,
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0,
0,
0,
0,
0
] | [
[
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[
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[
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[
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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,
0
]
] | -0.000013 | 5.291529 | pbe | true | f5fc0944929dbdd4bd1d4a04662d7e36_123_Pr2Sm1Tm1S5 |
[
"Pr",
"Sc",
"Tm",
"Y"
] | 18 | A5B2CD | PrSc2TmY5 | Pr2 Y10 Tm2 Sc4 | 4 | [
1,
1,
1
] | 3 | [
[
5.63199911,
0,
0
],
[
-2.81599956,
10.78718715,
0
],
[
0,
0,
9.35262043
]
] | agm005152681 | [
[
2.815999551830779,
6.837396656573259,
4.840273248387232
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[
-1.8307786575390496e-9,
3.949790493426741,
0.1639630333872332
],
[
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8.412941173756423,
0.44546325350440535
],
[
2.8159995526482455,
5.073761890008477,
7.812444552413427
... | [{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Tm", "attached"... | [
"Pr",
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"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Tm",
"Tm",
"Sc",
"Sc",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.1111111111111111,
0.5555555555555556
] | [
[
2.0191371,
0,
0
],
[
0,
2.0255127,
0
],
[
0,
0,
1.9529619
]
] | -105.449712 | [
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0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00158945,
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[
0,
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[
0,
0.00268925,
0.001824
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[
0,
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[
0,
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[
0,
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-0.00011639
],
[
0,
0.00416683,
-... | 0.000032 | 28.270683 | pbe | true | eff356befda782ec3f673d0f3f98d32d_36_Pr2Y10Tm2Sc4 |
[
"Pu",
"Sn",
"Th",
"Tl"
] | 4 | ABCD | PuSnThTl | Pu1 Th1 Tl1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
5.44229932,
0,
0
],
[
2.72114966,
4.71316947,
0
],
[
2.72114966,
1.57105649,
4.44361879
]
] | agm001337090 | [
[
8.16344898,
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[
2.72114966,
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[
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[
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Th", "attached"... | [
"Tl",
"Sn",
"Th",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
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[
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[
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] | -28.817309 | [
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[
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[
0,
0,
0
]
] | 6.204586 | 11.074158 | pbe | true | 294f86b8568d7986736bc24de4090891_216_Pu1Th1Tl1Sn1 |
[
"Rb",
"Se",
"Sn",
"Te"
] | 20 | A6B2CD | RbSe6SnTe2 | Rb2 Sn2 Te4 Se12 | 4 | [
1,
1,
1
] | 3 | [
[
8.21227053,
0.17761842,
0.18432782
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[
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10.23563142,
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[
2.88821641,
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[
6.47421933... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
0.0... | 0 | 6.79158 | pbe | true | 6ac258c358b3d892d039aa4e22fba1d6_15_Rb2Sn2Te4Se12 |
[
"Rh",
"Ru",
"S",
"Se"
] | 5 | A2BCD | Rh2RuSSe | Ru1 Rh2 Se1 S1 | 4 | [
1,
1,
1
] | 3 | [
[
4.5794542,
0,
0
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[
0,
4.58939129,
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[
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ru", "attached": ... | [
"Ru",
"S",
"Rh",
"Rh",
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] | 2023-11-16 06:57:59 | [
0.4,
0.2,
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0.2
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[
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[
0,
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[
0,
0,
0
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] | 1.91126 | 4.918098 | pbe | true | 35c26c9522a0516224c1a698704de766_123_Ru1Rh2Se1S1 |
[
"Rh",
"Ru",
"Se",
"Th"
] | 8 | A4B2CD | RhRuSe2Th4 | Th4 Ru1 Rh1 Se2 | 4 | [
1,
1,
1
] | 3 | [
[
4.10488154,
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[
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[
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[
... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ru", "attached"... | [
"Th",
"Th",
"Th",
"Th",
"Ru",
"Rh",
"Se",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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0
... | -0.000032 | 5.410076 | pbe | true | a74ccb1e010b785e0fd1718d7d82054a_10_Th4Ru1Rh1Se2 |
[
"S",
"Se",
"Tl",
"V"
] | 8 | A3B2C2D | S2Se2Tl3V | Tl3 V1 Se2 S2 | 4 | [
1,
1,
1
] | 3 | [
[
7.7567645,
0.12105802,
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[
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[
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[
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... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": ... | [
"Tl",
"Tl",
"Tl",
"V",
"Se",
"Se",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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[
0.0... | -0 | 0 | pbe | true | 90a9d9264e9c0f10876dfc452fec51b8_42_Tl3V1Se2S2 |
[
"S",
"Tl",
"Tm",
"U"
] | 15 | A8B3C3D | S8Tl3TmU3 | Tm1 U3 Tl3 S8 | 4 | [
1,
1,
1
] | 3 | [
[
7.9899622,
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[
-3.99503964,
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[
-0.0000113,
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[
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[
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3.45966114... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "U", "attached": n... | [
"Tm",
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"Tl",
"Tl",
"Tl",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
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] | 2023-11-16 06:57:59 | [
0.5333333333333333,
0.2,
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0.2
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[
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[
-0.00692915,
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[
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... | 8.002582 | 13.42623 | pbe | true | 41851b8ed92737c3961fdb343eb5b4a8_166_Tm1U3Tl3S8 |
[
"Sm",
"Tb",
"Th",
"Y"
] | 18 | A5B2CD | SmTb2ThY5 | Tb4 Sm2 Y10 Th2 | 4 | [
1,
1,
1
] | 3 | [
[
8.79904373,
0,
0
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[
0,
8.79904373,
0
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[
-4.39952187,
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] | agm005153969 | [
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0
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[
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3.79... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sm", "attached"... | [
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"Y",
"Y",
"Y",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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[
-0... | 0.000027 | 23.376324 | pbe | true | 09faf60b959ff57a8f556452fd3cc4a3_140_Tb4Sm2Y10Th2 |