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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"C",
"La",
"Ru",
"Te"
] | 5 | A2BCD | CLa2RuTe | La2 Te1 Ru1 C1 | 4 | [
1,
1,
1
] | 3 | [
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "C", "attached":... | [
"Ru",
"C",
"Te",
"La",
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] | 2023-11-16 06:57:59 | [
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0,
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] | 0 | 1.459292 | pbe | true | 26973a7388601024b6928bfd05cff0e6_123_La2Te1Ru1C1 |
[
"C",
"Li",
"N",
"Y"
] | 32 | A4B2CD | C2LiN4Y | Li4 Y4 C8 N16 | 4 | [
1,
1,
1
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[
... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}, {"mass": null, "name": "C", "attached": n... | [
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-0.001... | 0 | 0 | pbe | true | 5533ff2c376a8274b46b132e9f96e055_60_Li4Y4C8N16 |
[
"C",
"Mg",
"Tb",
"Y"
] | 5 | A2BCD | CMgTbY2 | Tb1 Y2 Mg1 C1 | 4 | [
1,
1,
1
] | 3 | [
[
5.0286678,
0,
0
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[
0,
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[
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "C", "attached":... | [
"Tb",
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] | 2023-11-16 06:57:59 | [
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] | 0.816067 | 5.983099 | pbe | true | 157e08425a28632434f58482102d0521_123_Tb1Y2Mg1C1 |
[
"C",
"Mo",
"Rb",
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] | 5 | A2BCD | C2MoRbRh | Rb1 Mo1 Rh1 C2 | 4 | [
1,
1,
1
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[
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0,
0
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[
0,
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Rh", "attached"... | [
"Mo",
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"C",
"C",
"Rb"
] | 2023-11-16 06:57:59 | [
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] | 1.668806 | 5.554474 | pbe | true | f42be13cbd9638d53d25ed5e723b4f7b_123_Rb1Mo1Rh1C2 |
[
"C",
"N",
"Na",
"O"
] | 20 | A2BCD | CNNaO2 | C4 N4 Na4 O8 | 4 | [
1,
1,
1
] | 3 | [
[
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1.48655591
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[
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] | mp-1210777 | [
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[
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0.8638181810043... | [{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Na", "attached": nu... | [
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"O",
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"O",
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] | 2019-01-12 13:15:42 | [
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[
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0.089... | 0 | 1.427872 | pbe | true | 79bfc7b85c3e833fdffe845f1b462894_14_Na4C4N4O8 |
[
"C",
"N",
"Os",
"Si"
] | 12 | ABCD | CNOsSi | Si3 Os3 C3 N3 | 4 | [
1,
1,
1
] | 3 | [
[
2.85247885,
0,
0
],
[
-1.42623942,
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0
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0,
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] | agm002047184 | [
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[
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3.019... | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Si", "attached": ... | [
"Si",
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"Os",
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"C",
"C",
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] | 2023-11-16 06:57:59 | [
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[
... | 0.000027 | 3.918227 | pbe | true | 494392a07d7320535d5a6853d512bb85_160_Si3Os3C3N3 |
[
"C",
"N",
"Re",
"Se"
] | 5 | A2BCD | CNReSe2 | Re1 C1 Se2 N1 | 4 | [
1,
1,
1
] | 3 | [
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0,
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "C", "attached":... | [
"Re",
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] | 2023-11-16 06:57:59 | [
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] | -28.944412 | [
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] | 0.962825 | 3.055419 | pbe | true | f6e40eef4deaddc985a7eb839f379ca3_123_Re1C1Se2N1 |
[
"C",
"Nb",
"Os",
"Si"
] | 7 | A2B2C2D | CNb2Os2Si2 | Nb2 Si2 Os2 C1 | 4 | [
1,
1,
1
] | 3 | [
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... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "C", "attached":... | [
"C",
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... | 0 | 3.378319 | pbe | true | a1180b0c38a9c23eeee704b88459c0dd_12_Nb2Si2Os2C1 |
[
"C",
"Nd",
"S",
"Tb"
] | 4 | ABCD | CNdSTb | Tb1 Nd1 C1 S1 | 4 | [
1,
1,
1
] | 3 | [
[
3.81479825,
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0
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] | agm005213497 | [
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Nd", "attached": ... | [
"Tb",
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] | 2023-11-16 06:57:59 | [
0.25,
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] | -0.000002 | 0.590162 | pbe | true | 1fc82f1f9ec5ce2bd1873a24177ac25c_160_Tb1Nd1C1S1 |
[
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"Sn",
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] | 14 | A4BCD | CNd4SnTl | Nd8 Tl2 Sn2 C2 | 4 | [
1,
1,
1
] | 3 | [
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0,
0
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[
0,
7.14520333,
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] | agm005057558 | [
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[
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3.572... | [{"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": "Nd", "attached"... | [
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"C"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.5714285714285714,
0.14285714285714285,
0.14285714285714285
] | [
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[
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[
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] | -74.593084 | [
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[
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[
"C",
"S",
"Sc",
"Se"
] | 12 | A6B3C2D | CS2Sc6Se3 | Sc6 C1 Se3 S2 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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] | agm004603325 | [
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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": "Sc", "attached": ... | [
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"C",
"Se",
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"S"
] | 2023-11-16 06:57:59 | [
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[
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-0.000254... | -0.000026 | 5.776969 | pbe | true | da5444c4dea08b688e757d71b4d4ee19_12_Sc6C1Se3S2 |
[
"C",
"S",
"Sn",
"Zn"
] | 5 | A2BCD | CSSnZn2 | Zn2 Sn1 C1 S1 | 4 | [
1,
1,
1
] | 3 | [
[
4.53355188,
0,
0
],
[
0,
5.5758272,
0
],
[
0,
0,
4.53355188
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] | agm001520837 | [
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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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "C", "attached": n... | [
"S",
"C",
"Zn",
"Zn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | 0.766483 | 2.665337 | pbe | true | 2bc6e112960ecd09a368c00cb4d08424_123_Zn2Sn1C1S1 |
[
"C",
"Sb",
"Si",
"Te"
] | 5 | A2BCD | CSb2SiTe | Si1 Sb2 Te1 C1 | 4 | [
1,
1,
1
] | 3 | [
[
4.74045371,
0,
0
],
[
0,
4.74045371,
0
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[
0,
0,
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]
] | agm001783205 | [
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[
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[
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[
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Si", "attached"... | [
"Sb",
"Sb",
"Si",
"Te",
"C"
] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -20.34978 | [
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[
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[
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[
0,
0,
0
]
] | 0 | 2.883806 | pbe | true | 4de6b1d22743bd90584c85ce89282501_123_Si1Sb2Te1C1 |
[
"C",
"Sc",
"Ti",
"Zr"
] | 5 | A2BCD | CScTi2Zr | Zr1 Sc1 Ti2 C1 | 4 | [
1,
1,
1
] | 3 | [
[
4.27619273,
0,
0
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[
0,
4.27619273,
0
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[
0,
0,
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] | agm001651662 | [
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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": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "C", "attached":... | [
"Sc",
"C",
"Zr",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
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[
0,
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[
0,
0,
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] | -40.64587 | [
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[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.036272 | 9.382808 | pbe | true | bf3fcd947feff62d443068abeeacad49_123_Zr1Sc1Ti2C1 |
[
"C",
"Si",
"Tm",
"Y"
] | 7 | A3B2CD | CSi2TmY3 | Y3 Tm1 Si2 C1 | 4 | [
1,
1,
1
] | 3 | [
[
4.62443795,
0,
0
],
[
0,
4.66698629,
0
],
[
-2.31221898,
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] | agm004759963 | [
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[
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[
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[
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2.3334908101511997,
2.0473397505468602
... | [{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Si", "attached": ... | [
"Y",
"Y",
"Y",
"Tm",
"Si",
"Si",
"C"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.2857142857142857,
0.14285714285714285,
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[
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[
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] | -48.006464 | [
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[
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[
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[
0,
0,
0
]
] | -0.000001 | 0.833175 | pbe | true | 77433e9684c1becafbcb12e215b7e090_71_Y3Tm1Si2C1 |
[
"C",
"Sm",
"Tc",
"Th"
] | 16 | A4B2CD | C4SmTcTh2 | Sm2 Th4 Tc2 C8 | 4 | [
1,
1,
1
] | 3 | [
[
3.64676482,
0,
0
],
[
-1.82338241,
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0
],
[
0,
0,
12.68463495
]
] | agm004781401 | [
[
1.4327828070626936e-18,
1.2298252088574497,
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[
1.82338241,
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[
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[
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[
1.8233824... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
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"C",
"C",
"C",
"C",
"C",
"C",
"C",
"C"
] | 2023-11-16 06:57:59 | [
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] | [
[
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[
0,
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[
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] | -133.965265 | [
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[
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[
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[
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... | -0.000048 | 10.147356 | pbe | true | 94958e9aca078229a4ee54f6a8c71360_63_Sm2Th4Tc2C8 |
[
"Ca",
"Cd",
"Cl",
"Sn"
] | 5 | A2BCD | CaCdCl2Sn | Ca1 Cd1 Sn1 Cl2 | 4 | [
1,
1,
1
] | 3 | [
[
5.17572258,
0,
0
],
[
0,
5.88069527,
0
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[
0,
0,
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] | agm001532203 | [
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[
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[
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sn", "attached"... | [
"Ca",
"Cl",
"Cl",
"Sn",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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[
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[
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] | -12.997266 | [
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[
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[
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[
0,
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[
0,
0,
0
]
] | 0.000472 | 3.942938 | pbe | true | e5bdad23118bcb3a46cbae03117de974_123_Ca1Cd1Sn1Cl2 |
[
"Ca",
"Cd",
"Pd",
"Tl"
] | 4 | ABCD | CaCdPdTl | Ca1 Tl1 Cd1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
5.04861724,
0,
0
],
[
2.52430862,
4.37223078,
0
],
[
2.52430862,
1.45741026,
4.12217871
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] | agm001328448 | [
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[
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ca", "attached"... | [
"Tl",
"Ca",
"Pd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25,
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] | [
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[
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[
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] | -11.821267 | [
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[
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[
0,
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[
0,
0,
0
]
] | -0.000001 | 2.208575 | pbe | true | a5bfa31545516ec823d49de586f458ce_216_Ca1Tl1Cd1Pd1 |
[
"Ca",
"Cl",
"Mn",
"Tl"
] | 18 | A6BCD | CaCl6MnTl | Ca2 Mn2 Tl2 Cl12 | 4 | [
1,
1,
1
] | 3 | [
[
6.79975068,
0,
0
],
[
-3.39987534,
5.88875683,
0
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[
0,
0,
13.5494595
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] | agm005091417 | [
[
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[
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[
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3.387364875
],
[
-3.399875373179179e-8,
3.925837906295856,
10.162094625
],
[
0,
0,
... | [{"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": "Ca", "attached"... | [
"Ca",
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"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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] | [
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[
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[
0,
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] | -75.256587 | [
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[
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[
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[
-0.00115334,
-0.0... | 8.000002 | 11.481625 | pbe | true | 9a34254bd857f63f900c13f136ffa315_163_Ca2Mn2Tl2Cl12 |
[
"Ca",
"Co",
"Hf",
"W"
] | 5 | A2BCD | CaCo2HfW | Ca1 Hf1 Co2 W1 | 4 | [
1,
1,
1
] | 3 | [
[
4.344417,
0,
0
],
[
0,
4.7983732,
0
],
[
0,
0,
4.344417
]
] | agm001476817 | [
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[
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": ... | [
"Co",
"Co",
"Ca",
"Hf",
"W"
] | 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,
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] | -29.746324 | [
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[
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[
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[
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[
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[
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... | 1.102947 | 8.972782 | pbe | true | 83b500e627d828edb63f54c2f845ebfe_12_Ca3U3Cu1N8 |
[
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3.43217761... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached"... | [
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0.00... | -0.000017 | 6.266738 | pbe | true | 9c9ad5128eaefddda440c434219daadb_12_Ca3Nd3Cu1Se8 |
[
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1,
1,
1
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... | -0.000444 | 13.502478 | pbe | true | 3329256ab251c72524285e3a86b46148_127_Ca4Zn10Cu2Rh4 |
[
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1,
1,
1
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2.202035065... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pm", "attached"... | [
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... | -0.000146 | 6.092922 | pbe | true | 3fce5fe01a6678ff5ea16d3ddb1033e8_166_Ca4Pm1Dy3Te8 |
[
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1,
1,
1
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] | 7.03584 | 8.149347 | pbe | true | e7b2e99f582efd6ac47448bd57223777_216_Ca1Eu1Hg1Ir1 |
[
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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": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ca", "attached": nu... | [
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] | 2023-11-16 06:57:59 | [
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] | -27.957768 | [
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] | 1.001525 | 1.720124 | pbe | true | 24d4b9e76afd6fa80812338474460280_123_Sr1Ca1O2F1 |
[
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1,
1,
1
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] | -0.000013 | 2.625324 | pbe | true | 4a7960921b0abd19234973277f086ad1_123_Ca1Fe1Se1N2 |
[
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1,
1
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5.22... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ca",
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... | 0.00011 | 6.495577 | pbe | true | a4b44a53aa33f90be3bf2aef8bd6b2f7_115_Ca2Ga4Ir3Ru1 |
[
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1,
1,
1
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[
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[
"Ca",
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] | 4 | ABCD | CaGeTlY | Ca1 Y1 Tl1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
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0,
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] | agm001285167 | [
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] | -0.000001 | 1.860615 | pbe | true | abc25af4db7cb01ec5f30d478ba2a6b0_216_Ca1Y1Tl1Ge1 |
[
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1,
1,
1
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[
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] | 0.626987 | 5.772377 | pbe | true | 2e2bd11604a739cfff6aae402d9be3a4_123_Li1Ca1Sc2H1 |
[
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1,
1,
1
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[
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[
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3.095473865123... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached"... | [
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0.... | 0.000001 | 14.135144 | pbe | true | 4fdb188c76d8bd1c80a731b1ade5a2ca_12_Ca1La2Pr6Ho3 |
[
"Ca",
"Ir",
"N",
"Zn"
] | 5 | A2BCD | Ca2IrNZn | Ca2 Zn1 Ir1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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] | 0 | 0.730883 | pbe | true | 1d284069914b1fd55699bf726021fb7d_123_Ca2Zn1Ir1N1 |
[
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1,
1,
1
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[
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[
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[
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4.79618582127688... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ca", "attached"... | [
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[
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[
"Ca",
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] | 16 | A8B4C3D | Ca4MgN8Np3 | Ca4 Mg1 Np3 N8 | 4 | [
1,
1,
1
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[
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[
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[
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[
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[
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1.74733... | [{"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached"... | [
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... | 7.000173 | 13.752844 | pbe | true | 9109e4e74eedd09e62a923bbcd78f647_166_Ca4Mg1Np3N8 |
[
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1,
1,
1
] | 3 | [
[
5.4301129,
0,
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[
0,
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... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ca", "attached": ... | [
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... | 5.51465 | 6.490231 | pbe | true | 7c3e03fdbfcaf9c9622d119488b79fbd_14_Ca4Mg2Rh2O12 |
[
"Ca",
"Mg",
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] | 5 | A2BCD | Ca2MgScY | Ca2 Y1 Mg1 Sc1 | 4 | [
1,
1,
1
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] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Sc", "attached"... | [
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] | -0.000144 | 6.574361 | pbe | true | b5450c9bcee2ff4a1049e52b5d019988_123_Ca2Y1Mg1Sc1 |
[
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] | 5 | A2BCD | Ca2MoNNi | Ca2 Ni1 Mo1 N1 | 4 | [
1,
1,
1
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[
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0,
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[
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[
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] | agm001476254 | [
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] | 1.622932 | 4.974255 | pbe | true | 24407839cdd98bf19f61bd270e04615a_123_Ca2Ni1Mo1N1 |
[
"Ca",
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] | 5 | A2BCD | Ca2NNiRh | Ca2 Ni1 Rh1 N1 | 4 | [
1,
1,
1
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[
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0,
0
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[
0,
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[
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] | 0.593549 | 3.187527 | pbe | true | cd9d2481b70c6023a04446a9845885e6_123_Ca2Ni1Rh1N1 |
[
"Ca",
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] | 5 | A2BCD | CaOPbSc2 | Ca1 Sc2 Pb1 O1 | 4 | [
1,
1,
1
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[
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[
0,
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] | 1.579467 | 6.890047 | pbe | true | a6ef919b885673d31e978895f0ff737c_123_Ca1Sc2Pb1O1 |
[
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] | 12 | A8B2CD | CaO8Pa2Te | Ca1 Pa2 Te1 O8 | 4 | [
1,
1,
1
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[
5.07775043,
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[
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1.6539218042727495... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ca", "attached": ... | [
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[
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0.00065... | 0 | 0 | pbe | true | fddfca9e3f08f235945bbdeb1cbdc7c4_65_Ca1Pa2Te1O8 |
[
"Ca",
"O",
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"Zr"
] | 10 | A6B2CD | Ca2O6TeZr | Ca2 Zr1 Te1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
5.84609939,
0
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[
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0,
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[
3.364392894... | [{"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": "Ca", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -69.229692 | [
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[
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0
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[
0.0045134... | 0 | 0 | pbe | true | f5ed67dc5356e8f8982d3c924e31bd80_99_Ca2Zr1Te1O6 |
[
"Ca",
"Se",
"Sm",
"Tb"
] | 12 | A6B3C2D | Ca3Se6SmTb2 | Ca3 Tb2 Sm1 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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[
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2.0... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ca", "attached"... | [
"Ca",
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"Sm",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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[
-0... | -0.000002 | 4.453074 | pbe | true | 39cba005feb7d6c3bbc8989e27b95f02_12_Ca3Tb2Sm1Se6 |
[
"Cd",
"Ce",
"Cu",
"Zn"
] | 4 | ABCD | CdCeCuZn | Ce1 Zn1 Cd1 Cu1 | 4 | [
1,
1,
1
] | 3 | [
[
4.83284396,
0,
0
],
[
2.41642198,
4.18536564,
0
],
[
2.41642198,
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3.94600057
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] | agm001323540 | [
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cu", "attached"... | [
"Zn",
"Cu",
"Ce",
"Cd"
] | 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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] | -13.011513 | [
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[
0,
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[
0,
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0
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] | 0.448707 | 5.083731 | pbe | true | d58f2c310a2ee290e7e1a64127cc6729_216_Ce1Zn1Cd1Cu1 |
[
"Cd",
"Cl",
"Hg",
"Rb"
] | 16 | A5BCD | CdCl5HgRb | Rb2 Cd2 Hg2 Cl10 | 4 | [
1,
1,
1
] | 3 | [
[
7.67086357,
-0.0958251,
0.03964394
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[
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[
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] | agm005067363 | [
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[
3.9650357634923945,
1.5163606536547816,
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[
-0.7... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Hg", "attached"... | [
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"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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] | 2023-11-16 06:57:59 | [
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0.125
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[
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[
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] | -40.854481 | [
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[
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0
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[
0.00075697,
... | 0.000021 | 0 | pbe | true | b2543dfa01f07e23d9c76a103ac8d6c6_15_Rb2Cd2Hg2Cl10 |
[
"Cd",
"Cr",
"F",
"N"
] | 5 | A2BCD | CdCrFN2 | Cr1 Cd1 N2 F1 | 4 | [
1,
1,
1
] | 3 | [
[
4.2472827,
0,
0
],
[
0,
4.2472827,
0
],
[
0,
0,
4.36222503
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] | agm001718145 | [
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[
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[
0,
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[
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0
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cd", "attached": ... | [
"Cr",
"N",
"N",
"F",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.0893337,
0,
0
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[
0,
1.0893337,
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[
0,
0,
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]
] | -21.985985 | [
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[
0,
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[
0,
0,
0
]
] | 1.864227 | 2.517637 | pbe | true | 98eb2355c0f016fed1b10814333c4873_123_Cr1Cd1N2F1 |
[
"Cd",
"Cr",
"Cs",
"H"
] | 9 | A6BCD | CdCrCsH6 | Cs1 Cr1 Cd1 H6 | 4 | [
1,
1,
1
] | 3 | [
[
5.0769182,
0.00003384,
-0.00009207
],
[
2.53852317,
4.3968102,
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[
0.00007833,
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5.96392012
]
] | agm005097669 | [
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5.07692192394465,
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[
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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": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Cd", "attached": ... | [
"Cs",
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"Cd",
"H",
"H",
"H",
"H",
"H",
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] | 2023-11-16 06:57:59 | [
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] | [
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] | -31.530467 | [
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[
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-0.002... | 2.995411 | 0.539005 | pbe | true | dc4ded850794a2adcadbd3cbd954dd18_187_Cs1Cr1Cd1H6 |
[
"Cd",
"Cr",
"Hf",
"Sb"
] | 5 | A2BCD | CdCrHfSb2 | Hf1 Cr1 Cd1 Sb2 | 4 | [
1,
1,
1
] | 3 | [
[
5.38592707,
0,
0
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[
0,
5.34789345,
0
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[
0,
0,
5.38592707
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] | agm001509179 | [
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[
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cd", "attached"... | [
"Sb",
"Sb",
"Hf",
"Cr",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
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[
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[
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] | -22.102589 | [
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[
0,
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[
0,
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] | 5.111033 | 4.409984 | pbe | true | bbd4d183ed399a6c2813e97e1ae96c88_123_Hf1Cr1Cd1Sb2 |
[
"Cd",
"Cs",
"O",
"P"
] | 5 | A2BCD | CdCsOP2 | Cs1 Cd1 P2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.59647838,
0,
0
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[
0,
5.59647838,
0
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[
0,
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] | agm001760352 | [
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[
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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": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "P", "attached": n... | [
"Cs",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -10.596486 | [
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[
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[
0,
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] | 1.429338 | 3.263516 | pbe | true | a2add633589804e166957a2829adfe46_123_Cs1Cd1P2O1 |
[
"Cd",
"Cu",
"La",
"Sn"
] | 10 | A4B3C2D | CdCu4La2Sn3 | La2 Cd1 Cu4 Sn3 | 4 | [
1,
1,
1
] | 3 | [
[
4.49341139,
0,
0
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[
0,
4.49341139,
0
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[
0,
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] | agm004523652 | [
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[
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2.... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sn", "attached"... | [
"La",
"La",
"Cd",
"Cu",
"Cu",
"Cu",
"Cu",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.1,
0.4,
0.2,
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] | [
[
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[
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[
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] | -43.428753 | [
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[
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[
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[
0,... | 0 | 5.154668 | pbe | true | 867fe857a7c1ed541dc0bdc2df49642a_115_La2Cd1Cu4Sn3 |
[
"Cd",
"Cu",
"O",
"Pu"
] | 16 | A5BCD | CdCuO5Pu | Pu2 Cd2 Cu2 O10 | 4 | [
1,
1,
1
] | 3 | [
[
6.02017048,
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[
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[
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] | agm005064200 | [
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[
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[
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[
-1.2... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cu", "attached": ... | [
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"O",
"O",
"O",
"O",
"O",
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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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... | 1.964233 | 5.031915 | pbe | true | f3768a0e78cc0129eff96da6b0056af9_15_Pu2Cd2Cu2O10 |
[
"Cd",
"Dy",
"Pd",
"Tm"
] | 4 | ABCD | CdDyPdTm | Dy1 Tm1 Cd1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
3.56948505,
0,
0
],
[
0,
3.56948505,
0
],
[
0,
0,
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]
] | agm005210540 | [
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[
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[
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],
[
1.784742525,
1.784742525,
4.401841528025717
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Tm", "attached"... | [
"Dy",
"Tm",
"Cd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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[
0,
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[
0,
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]
] | -17.652896 | [
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] | [
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[
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[
0,
0,
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[
0,
0,
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]
] | -0.000034 | 2.877164 | pbe | true | 5b260b89910bd9464415f0ffa6e13571_99_Dy1Tm1Cd1Pd1 |
[
"Cd",
"Dy",
"Tb",
"Zn"
] | 4 | ABCD | CdDyTbZn | Tb1 Dy1 Zn1 Cd1 | 4 | [
1,
1,
1
] | 3 | [
[
5.19336379,
0,
0
],
[
2.5966819,
4.49758498,
0
],
[
2.5966819,
1.49919499,
4.24036378
]
] | agm001326241 | [
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[
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[
5.193363795,
2.998389985,
2.12018189
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[
0,
0,
0
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached"... | [
"Zn",
"Cd",
"Tb",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0
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[
0,
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[
0,
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] | -12.671168 | [
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0.001,
0.001
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.002665 | 4.082251 | pbe | true | 66d6b6c75a0e6e3a81f618fe5481cb92_216_Tb1Dy1Zn1Cd1 |
[
"Cd",
"F",
"H",
"Rb"
] | 7 | A3B2CD | CdF3HRb2 | Rb2 Cd1 H1 F3 | 4 | [
1,
1,
1
] | 3 | [
[
3.84534001,
0,
0
],
[
0,
4.6523051,
0
],
[
-1.92267001,
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7.40326177
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] | agm004759969 | [
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[
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[
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[
-1.5952925882111185e-9,
-1.7783... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Rb", "attached": ... | [
"Rb",
"Rb",
"Cd",
"H",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.42857142857142855,
0.14285714285714285,
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] | [
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[
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[
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]
] | -25.627712 | [
0,
0,
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0,
0,
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] | [
[
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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,
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],
[
0,
0,
0.00107988
]
] | 0 | 0 | pbe | true | 4f8df82530de39aa2d11e239a753c985_71_Rb2Cd1H1F3 |
[
"Cd",
"F",
"Li",
"Y"
] | 5 | A2BCD | CdFLi2Y | Li2 Y1 Cd1 F1 | 4 | [
1,
1,
1
] | 3 | [
[
4.37034027,
0,
0
],
[
0,
4.37034027,
0
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[
0,
0,
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]
] | agm001664914 | [
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[
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[
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[
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],
[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Li", "attached": ... | [
"Y",
"F",
"Li",
"Li",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
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0
],
[
0,
0.73712206,
0
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[
0,
0,
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]
] | -18.642604 | [
0.012,
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0.001,
0.001,
0.002
] | [
[
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
]
] | 0.03216 | 3.696741 | pbe | true | 15049247a1fad5fef481223cfa087796_123_Li2Y1Cd1F1 |
[
"Cd",
"F",
"Mo",
"O"
] | 5 | A2BCD | CdFMoO2 | Cd1 Mo1 O2 F1 | 4 | [
1,
1,
1
] | 3 | [
[
4.08425794,
0,
0
],
[
0,
4.08425794,
0
],
[
0,
0,
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]
] | agm001742505 | [
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[
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[
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[
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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": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mo", "attached": nu... | [
"Mo",
"F",
"O",
"O",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4
] | [
[
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[
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] | 2.361527 | 1.593582 | pbe | true | f274340a29d295f2c27dd752392d9ae9_123_Cd1Mo1O2F1 |
[
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"Ir",
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1,
1
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] | 0.175276 | 5.23732 | pbe | true | 8b9abeaed33958caedeecf11d6cfc575_123_Na1Cd1Fe1Ir2 |
[
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... | 0 | 6.724433 | pbe | true | 048d5f343852165725080b49f8b1529e_127_Mg10Cd4Ga4Hg2 |
[
"Cd",
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"N",
"W"
] | 5 | A2BCD | Cd2GaNW | Cd2 Ga1 W1 N1 | 4 | [
1,
1,
1
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[
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] | 0 | 3.645158 | pbe | true | 9b561c39af345ad7a3177a9ab1871731_123_Cd2Ga1W1N1 |
[
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1,
1,
1
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[
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] | 3.821942 | 3.86421 | pbe | true | 67e3de652803a01577d0c0633c90092b_123_Na1V1Cd1Ga2 |
[
"Cd",
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"Tm"
] | 4 | ABCD | CdGdIrTm | Gd1 Tm1 Cd1 Ir1 | 4 | [
1,
1,
1
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] | 7.08838 | 2.432148 | pbe | true | 8e3930e471283ffa17cb6db2e911e537_216_Gd1Tm1Cd1Ir1 |
[
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] | 20 | A6B2CD | CdGe2O6Pd | Cd2 Ge4 Pd2 O12 | 4 | [
1,
1,
1
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[
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0.000891... | 0 | 3.631295 | pbe | true | f3bcc2806e3901f21def5cbbec419be7_15_Cd2Ge4Pd2O12 |
[
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"Hf",
"K",
"Si"
] | 5 | A2BCD | CdHfK2Si | K2 Hf1 Cd1 Si1 | 4 | [
1,
1,
1
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[
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "K", "attached":... | [
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[
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[
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] | 0.000001 | 4.567483 | pbe | true | b2409e275c57b729b75f7f5093b2d4d0_123_K2Hf1Cd1Si1 |
[
"Cd",
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] | 7 | A2B2C2D | Cd2Hg2Li2Pb | Li2 Cd2 Hg2 Pb1 | 4 | [
1,
1,
1
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[
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] | agm004548680 | [
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[
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached"... | [
"Li",
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[
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[
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] | 0 | 1.919619 | pbe | true | ebdcb259ececd181500d95ce63a6f700_166_Li2Cd2Hg2Pb1 |
[
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"O",
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] | 8 | ABCD | CdHgOPm | Pm2 Cd2 Hg2 O2 | 4 | [
1,
1,
1
] | 3 | [
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[
0,
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[
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] | agm005202439 | [
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... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Hg", "attached": ... | [
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] | 0 | 5.059162 | pbe | true | 04859323b65872359be922f9dfe013b4_129_Pm2Cd2Hg2O2 |
[
"Cd",
"Hg",
"Os",
"Rb"
] | 5 | A2BCD | CdHgOs2Rb | Rb1 Cd1 Hg1 Os2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
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[
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[
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[
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] | -9.144176 | [
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[
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[
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] | 4.528123 | 4.559344 | pbe | true | b4fd8d36797d03248600f6069d9a4fd5_123_Rb1Cd1Hg1Os2 |
[
"Cd",
"Hg",
"Os",
"W"
] | 5 | A2BCD | CdHgOsW2 | Cd1 Hg1 Os1 W2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
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[
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[
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] | agm001492590 | [
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Cd", "attached": ... | [
"Os",
"Hg",
"W",
"W",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
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0.2,
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[
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] | -22.823275 | [
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] | 1.858103 | 9.777888 | pbe | true | 97bd58d7d099b475cb414afa033a53fc_123_Cd1Hg1Os1W2 |
[
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"Sm"
] | 7 | A2B2C2D | Cd2In2La2Sm | La2 Sm1 Cd2 In2 | 4 | [
1,
1,
1
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[
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] | -0.001858 | 4.754211 | pbe | true | 0ccdb6f1c784d636f47341b8fea8d589_166_La2Sm1Cd2In2 |
[
"Cd",
"In",
"Na",
"Pm"
] | 4 | ABCD | CdInNaPm | Na1 Pm1 Cd1 In1 | 4 | [
1,
1,
1
] | 3 | [
[
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2.66202795,
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] | 0.000002 | 2.33019 | pbe | true | 149a8bda94afe622dfdd1076531cfd55_216_Na1Pm1Cd1In1 |
[
"Cd",
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"Pm",
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] | 8 | A4B2CD | Cd2InPm4Tl | Pm4 Tl1 Cd2 In1 | 4 | [
1,
1,
1
] | 3 | [
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[
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] | -0.006881 | 10.384196 | pbe | true | abae446ae1556f50efda0742cc532153_166_Pm4Tl1Cd2In1 |
[
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"Pd",
"Zn"
] | 20 | A5B2C2D | Cd2InPd5Zn2 | Zn4 Cd4 In2 Pd10 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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[
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... | 0.000002 | 5.912155 | pbe | true | 99bdae8efcff41e98eb935f91a90c3cd_127_Zn4Cd4In2Pd10 |
[
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"Ir",
"P",
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] | 5 | A2BCD | CdIrP2S | Cd1 P2 Ir1 S1 | 4 | [
1,
1,
1
] | 3 | [
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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": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ir", "attached": ... | [
"P",
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[
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[
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] | 0.000038 | 2.137853 | pbe | true | b706c2970e2b19e6d40d17ad7eb5aa85_123_Cd1P2Ir1S1 |
[
"Cd",
"La",
"O",
"U"
] | 9 | A6BCD | CdLaO6U | La1 U1 Cd1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
4.54028801,
0,
0
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[
0,
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[
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[
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5.1917197... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "U", "attached":... | [
"La",
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] | 2023-11-16 06:57:59 | [
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... | 0.726089 | 8.78412 | pbe | true | 764d8b33a75b1c2c58b740b10e3830bc_149_La1U1Cd1O6 |
[
"Cd",
"La",
"Re",
"Ta"
] | 5 | A2BCD | Cd2LaReTa | La1 Ta1 Cd2 Re1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Re", "attached"... | [
"Re",
"La",
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"Cd",
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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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[
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] | -0.000727 | 11.340573 | pbe | true | 4c5e24bfa3c4049dc382321c3676ee5f_123_La1Ta1Cd2Re1 |
[
"Cd",
"Li",
"O",
"Re"
] | 12 | A8B2CD | CdLiO8Re2 | Li1 Cd1 Re2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
5.17194088,
6e-8,
0
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[
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[
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[
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[
1.7330... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Re", "attached": ... | [
"Li",
"Cd",
"Re",
"Re",
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"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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[
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[
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0.0... | 0 | 2.043855 | pbe | true | c012269c362f5e37bcadb8712156c799_82_Li1Cd1Re2O8 |
[
"Cd",
"Li",
"Tc",
"Zr"
] | 5 | A2BCD | CdLi2TcZr | Li2 Zr1 Cd1 Tc1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
0,
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] | agm001433250 | [
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[
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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": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Cd", "attached"... | [
"Li",
"Li",
"Tc",
"Zr",
"Cd"
] | 2023-11-16 06:57:59 | [
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[
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[
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] | -18.312749 | [
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[
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[
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] | -0.000005 | 3.166615 | pbe | true | 70f8cd0292419dd8342b7eb5c9784771_123_Li2Zr1Cd1Tc1 |
[
"Cd",
"Mg",
"Pr",
"Pu"
] | 4 | ABCD | CdMgPrPu | Pr1 Pu1 Mg1 Cd1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.72156631,
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[
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] | agm001329631 | [
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Mg", "attached"... | [
"Pr",
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"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.4392216,
0,
0
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[
0,
2.4392216,
0
],
[
0,
0,
2.4392216
]
] | -21.60954 | [
0.162,
0.003,
0.017,
5.546
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 6.413611 | 10.850779 | pbe | true | df097344a46dd1393c80c28468cb9f51_216_Pr1Pu1Mg1Cd1 |
[
"Cd",
"Mn",
"Ni",
"Pd"
] | 4 | ABCD | CdMnNiPd | Mn1 Cd1 Ni1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.41835598,
0,
0
],
[
2.20917799,
3.82640853,
0
],
[
2.20917799,
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] | agm001324876 | [
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[
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ni",
"Mn",
"Pd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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[
0,
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[
0,
0,
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] | -21.365419 | [
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[
0,
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0
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[
0,
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[
0,
0,
0
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] | 4.573268 | 2.273259 | pbe | true | 65bc0bbd790993f2c2f8a138d2ba4e77_216_Mn1Cd1Ni1Pd1 |
[
"Cd",
"N",
"Pt",
"Ti"
] | 5 | A2BCD | CdN2PtTi | Ti1 Cd1 Pt1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
3.81670189,
0,
0
],
[
0,
6.67740782,
0
],
[
0,
0,
3.81670189
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] | agm001554261 | [
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[
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ti", "attached"... | [
"N",
"N",
"Ti",
"Pt",
"Cd"
] | 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,
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0
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[
0,
0,
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] | -28.010612 | [
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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 | 2.783919 | pbe | true | d05e322d2c1cf00c22d81472c60097a9_123_Ti1Cd1Pt1N2 |
[
"Cd",
"Na",
"Pm",
"Sr"
] | 4 | ABCD | CdNaPmSr | Na1 Sr1 Pm1 Cd1 | 4 | [
1,
1,
1
] | 3 | [
[
5.7095471,
0,
0
],
[
2.85477355,
4.94461283,
0
],
[
2.85477355,
1.64820428,
4.66182569
]
] | agm001327850 | [
[
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[
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],
[
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],
[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pm", "attached"... | [
"Sr",
"Cd",
"Na",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0
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[
0,
1.4698049,
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[
0,
0,
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] | -8.730206 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000014 | 2.806524 | pbe | true | b98bbb0e339093f3a680aefc17ec54fb_216_Na1Sr1Pm1Cd1 |
[
"Cd",
"Nb",
"O",
"Pb"
] | 20 | A6B2CD | CdNbO6Pb2 | Nb2 Cd2 Pb4 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.78047513,
0,
0.00396707
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[
0,
5.99941852,
0
],
[
0.05681495,
0,
8.35587753
]
] | agm004948639 | [
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[
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[
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],
[
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3.25363812852174... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pb", "attached"... | [
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.1,
0.6,
0.2
] | [
[
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0,
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],
[
0,
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0
],
[
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] | -126.934421 | [
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[
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[
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[
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[
-0.00138838,
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0.00048406
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[
-0.00138838,
0.00058... | 0 | 10.520176 | pbe | true | 9e7eaa936d6e12f80308d048172f3611_14_Nb2Cd2Pb4O12 |
[
"Cd",
"Np",
"Sr",
"Te"
] | 18 | A5B2CD | CdNpSr2Te5 | Sr4 Np2 Cd2 Te10 | 4 | [
1,
1,
1
] | 3 | [
[
4.53516981,
0,
0
],
[
-2.2675849,
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0
],
[
0,
0,
13.9980771
]
] | agm005154764 | [
[
2.2675848860849954,
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[
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[
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[
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],
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Np", "attached"... | [
"Sr",
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"Cd",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 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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[
0,
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]
] | -84.238485 | [
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3.568,
3.568,
-0.008,
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-0.092,
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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,
0.000288,
-0.0... | 5.991472 | 16.489897 | pbe | true | effe42cb51b7bb57fd225483f1a8c4de_36_Sr4Np2Cd2Te10 |
[
"Cd",
"O",
"Pt",
"Sm"
] | 18 | A5B2CD | CdO5PtSm2 | Sm4 Cd2 Pt2 O10 | 4 | [
1,
1,
1
] | 3 | [
[
5.80918392,
0,
0
],
[
0,
6.68794597,
0
],
[
0,
0,
6.68794597
]
] | agm005144625 | [
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[
2.90459196,
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[
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[
2.90459196,
2.188652455783661,
5.5326254407836615
],
[
0,
3.343972985,
... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
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"Pt",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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[
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[
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0
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[
0,
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] | -118.751986 | [
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0,
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0,
0,
0,
0,
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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,
0
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[
0,
0,
... | 0 | 3.028863 | pbe | true | 128d69c45a61b02bbeda7334296cc25f_127_Sm4Cd2Pt2O10 |
[
"Cd",
"Pm",
"Sn",
"Tl"
] | 4 | ABCD | CdPmSnTl | Pm1 Tl1 Cd1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
4.55502481,
0,
0
],
[
0,
4.93327622,
0
],
[
0,
0,
4.69730604
]
] | agm005203302 | [
[
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[
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0
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[
0,
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2.34865302
],
[
2.277512405,
0,
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached"... | [
"Pm",
"Tl",
"Cd",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0,
0
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[
0,
4.546317,
0
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[
0,
0,
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]
] | -13.688914 | [
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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
]
] | -0.000004 | 1.831387 | pbe | true | 114a066ce44c6c72492dffc10003c380_47_Pm1Tl1Cd1Sn1 |
[
"Cd",
"Rh",
"Tb",
"Tm"
] | 8 | A4B2CD | CdRh4TbTm2 | Tb1 Tm2 Cd1 Rh4 | 4 | [
1,
1,
1
] | 3 | [
[
4.74041022,
0,
0
],
[
2.37020511,
4.10531568,
0
],
[
2.37020511,
1.36843856,
7.71657929
]
] | agm004796383 | [
[
0,
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[
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[
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[
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[
4.740410196297949,
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],
[
7.1106153062... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Rh", "attached"... | [
"Tb",
"Tm",
"Tm",
"Cd",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.125,
0.25
] | [
[
7.738172,
0,
0
],
[
0,
7.738172,
0
],
[
0,
0,
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]
] | -50.198429 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
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[
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[
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[
0,
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[
0,
0,
0.00192618
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[
0,
0,
-0.00192618
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[
0,
0,
0.00199427
]
] | -0 | 3.332687 | pbe | true | fcbe0e1bf6c95fd536cfa0fb336c5354_166_Tb1Tm2Cd1Rh4 |
[
"Cd",
"Sb",
"Si",
"Ta"
] | 5 | A2BCD | CdSbSi2Ta | Ta1 Cd1 Si2 Sb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.79185941,
0,
0
],
[
0,
5.514534,
0
],
[
0,
0,
4.79185941
]
] | agm001463826 | [
[
0,
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0
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[
0,
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[
2.395929705,
0,
0
],
[
0,
0,
0
],
[
2.395929705,
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]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
"Si",
"Si",
"Cd",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
1.4528869,
0,
0
],
[
0,
2.129044,
0
],
[
0,
0,
1.4528869
]
] | -19.298272 | [
-0.047,
-0.035,
-0.027,
-0.002,
1.333
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.745239 | 5.270467 | pbe | true | 975c8163bfd925115277885d6023402d_123_Ta1Cd1Si2Sb1 |
[
"Ce",
"Cl",
"Ge",
"Pm"
] | 4 | ABCD | CeClGePm | Ce1 Pm1 Ge1 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.13086318,
0,
0
],
[
2.56543159,
4.44345786,
0
],
[
2.56543159,
1.48115262,
4.18933225
]
] | agm001290440 | [
[
2.56543159,
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[
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3.1419991874999997
],
[
5.13086318,
2.96230524,
2.094666125
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ce", "attached"... | [
"Ge",
"Cl",
"Ce",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.0477853,
0,
0
],
[
0,
2.0477853,
0
],
[
0,
0,
2.0477853
]
] | -21.183002 | [
-0.046,
-0.018,
0.909,
0.216
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.374783 | 6.184936 | pbe | true | 517ebc090d4de76059bcaafba6e49d5b_216_Ce1Pm1Ge1Cl1 |
[
"Ce",
"Cr",
"N",
"Sr"
] | 14 | A4BCD | CeCrN4Sr | Sr2 Ce2 Cr2 N8 | 4 | [
1,
1,
1
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[
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[
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0.001... | 0 | -0.012191 | pbe | true | 9687892847f0f78e9a37c5581f6071b9_11_Sr2Ce2Cr2N8 |
[
"Ce",
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"Tb"
] | 16 | A8B4C3D | CeCs4S8Tb3 | Cs4 Tb3 Ce1 S8 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ce", "attached": ... | [
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... | 0.957935 | 4.08983 | pbe | true | 2f2626c3a42af8b654d96d734200256b_166_Cs4Tb3Ce1S8 |
[
"Ce",
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1,
1,
1
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"Ce",
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-... | 2.282842 | 10.32511 | pbe | true | fe5c416bec4f87bf9246075f6a8c0521_139_Ce2Y2Cu1Si4 |
[
"Ce",
"Ga",
"Rb",
"S"
] | 14 | A4BCD | CeGaRbS4 | Rb2 Ce2 Ga2 S8 | 4 | [
1,
1,
1
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[
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0,
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[
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[
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0.000... | 0.308287 | -1.10375 | pbe | true | 757aeab40818ba6579bc16a0af084c42_11_Rb2Ce2Ga2S8 |
[
"Ce",
"Ge",
"Ir",
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] | 8 | ABCD | CeGeIrN | Ce2 Ge2 Ir2 N2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.03762699,
0
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[
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"Ce",
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] | 2023-11-16 06:57:59 | [
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] | 1.012837 | 7.110775 | pbe | true | 21f76d86b0deae7377ace21ab55254cb_129_Ce2Ge2Ir2N2 |
[
"Ce",
"H",
"Ni",
"P"
] | 11 | A4B3C2D2 | Ce3H4Ni2P2 | Ce3 Ni2 P2 H4 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
3.88964878,
0
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[
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[
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1.944... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ni", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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-... | 0.886584 | 13.221056 | pbe | true | 5fb1533208aba8ae79fa9668129c5ad4_139_Ce3Ni2P2H4 |
[
"Ce",
"Ge",
"Sb",
"Se"
] | 12 | A6B3C2D | Ce6Ge2SbSe3 | Ce6 Ge2 Sb1 Se3 | 4 | [
1,
1,
1
] | 3 | [
[
4.28490101,
0,
0
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[
0,
8.52796707,
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[
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[
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0.13218692552687... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sb", "attached"... | [
"Ce",
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"Ce",
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"Ce",
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] | 2023-11-16 06:57:59 | [
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] | -75.336917 | [
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[
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... | 4.854709 | 34.745407 | pbe | true | f992108da472b987198586c74677ac01_12_Ce6Ge2Sb1Se3 |
[
"Ce",
"Hf",
"Ho",
"Tm"
] | 4 | ABCD | CeHfHoTm | Ce1 Ho1 Tm1 Hf1 | 4 | [
1,
1,
1
] | 3 | [
[
5.39541756,
0,
0
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[
2.69770878,
4.67256867,
0
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[
2.69770878,
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] | agm001408015 | [
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ho", "attached"... | [
"Tm",
"Hf",
"Ho",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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] | -23.951559 | [
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[
0,
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[
0,
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]
] | 0.00628 | 9.039932 | pbe | true | 28a0794fc6f6a4a6de19d02809716c95_216_Ce1Ho1Tm1Hf1 |
[
"Ce",
"Hg",
"Rb",
"Se"
] | 12 | A6B3C2D | Ce2HgRb3Se6 | Rb3 Ce2 Hg1 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
7.70276245,
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[
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[
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] | agm004636419 | [
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[
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[
3.856728... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Se", "attached"... | [
"Rb",
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"Rb",
"Ce",
"Ce",
"Hg",
"Se",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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] | -51.711526 | [
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0.0... | 1.031193 | 6.163415 | pbe | true | 924910501f08779d9058c8f535c07d5c_12_Rb3Ce2Hg1Se6 |