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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ce",
"Ho",
"In",
"Mg"
] | 7 | A2B2C2D | Ce2HoIn2Mg2 | Ce2 Ho1 Mg2 In2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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] | agm004553967 | [
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6.... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ho", "attached"... | [
"Ce",
"Ce",
"Ho",
"Mg",
"Mg",
"In",
"In"
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] | 2.486976 | 12.110259 | pbe | true | b3cc20bf75a42b167f7270b2b197cf79_166_Ce2Ho1Mg2In2 |
[
"Ce",
"Ho",
"Nd",
"Se"
] | 12 | A6B3C2D | Ce2Ho3NdSe6 | Ce2 Nd1 Ho3 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
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... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached"... | [
"Ce",
"Ce",
"Nd",
"Ho",
"Ho",
"Ho",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
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[
0.00... | 1.964964 | 14.334991 | pbe | true | 3db70e5e96ad9d08706a3b1053989e56_12_Ce2Nd1Ho3Se6 |
[
"Ce",
"K",
"O",
"Zr"
] | 10 | A6B2CD | CeKO6Zr2 | K1 Ce1 Zr2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
0,
4.17991144,
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0
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] | agm005220973 | [
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2.08995572,
2.08995572... | [{"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": "Ce", "attached": ... | [
"K",
"Ce",
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"Zr",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
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] | -83.29182 | [
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[
0,
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[
0,
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0
]
] | 1.000009 | 9.11519 | pbe | true | 9435bbde7a2c898ac759a4f1d3ca5a43_225_K1Ce1Zr2O6 |
[
"Ce",
"La",
"N",
"Nd"
] | 12 | A6B3C2D | CeLa3N6Nd2 | La3 Ce1 Nd2 N6 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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] | agm004654204 | [
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[
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Nd", "attached"... | [
"La",
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"La",
"Ce",
"Nd",
"Nd",
"N",
"N",
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"N",
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] | 2023-11-16 06:57:59 | [
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[
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[
-0.000... | 0 | 3.395915 | pbe | true | 3d794d0796d57d07be1235f4e29b1c87_12_La3Ce1Nd2N6 |
[
"Ce",
"Li",
"S",
"Y"
] | 8 | A4B2CD | Ce2LiS4Y | Li1 Ce2 Y1 S4 | 4 | [
1,
1,
1
] | 3 | [
[
3.96315571,
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[
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] | agm004816213 | [
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... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Li", "attached": ... | [
"Li",
"Ce",
"Ce",
"Y",
"S",
"S",
"S",
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] | 2023-11-16 06:57:59 | [
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] | -51.882845 | [
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]
] | 2.300562 | 11.011442 | pbe | true | f2f3bb75ccf4da1b1648962932f1a531_10_Li1Ce2Y1S4 |
[
"Ce",
"N",
"Pa",
"Ru"
] | 16 | A4B2CD | CeN4Pa2Ru | Ce2 Pa4 Ru2 N8 | 4 | [
1,
1,
1
] | 3 | [
[
3.43425931,
0,
0
],
[
-1.71712966,
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0,
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] | agm004776478 | [
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[
1.717... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ru", "attached"... | [
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"N",
"N",
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] | 2023-11-16 06:57:59 | [
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] | -155.320581 | [
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[
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... | 0.657824 | 9.731015 | pbe | true | dbc7c6c4618722d2ddbb835f3843d2e3_63_Ce2Pa4Ru2N8 |
[
"Cr",
"H",
"La",
"O"
] | 32 | A5BCD | CrHLaO5 | La4 Cr4 H4 O20 | 4 | [
1,
1,
1
] | 3 | [
[
13.28763212,
0,
0
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[
0,
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[
0,
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] | agm003241458 | [
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[
... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "H", "attached":... | [
"La",
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] | 2023-11-16 06:57:59 | [
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0.00269... | -0.000011 | 0 | pbe | true | 750f7a63c4052113c1477c5dfe3128fa_14_La4Cr4H4O20 |
[
"Ce",
"Ni",
"Tb",
"Tc"
] | 4 | ABCD | CeNiTbTc | Tb1 Ce1 Tc1 Ni1 | 4 | [
1,
1,
1
] | 3 | [
[
4.84499914,
0,
0
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] | agm001359469 | [
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Tc", "attached"... | [
"Ni",
"Tb",
"Tc",
"Ce"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25
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] | -27.258396 | [
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[
0,
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[
0,
0,
0
]
] | 0.000089 | 3.654286 | pbe | true | ceb987af3d320925acc69efbe4b8cb8b_216_Tb1Ce1Tc1Ni1 |
[
"Ce",
"Np",
"S",
"Tl"
] | 11 | A6B2C2D | Ce2NpS6Tl2 | Ce2 Np1 Tl2 S6 | 4 | [
1,
1,
1
] | 3 | [
[
7.12651535,
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0.07347418
],
[
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],
[
-1.27367091,
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7.43196399
]
] | agm004586825 | [
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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": "Ce", "attached": ... | [
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"Tl",
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"S",
"S",
"S",
"S",
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] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.09090909090909091,
0.5454545454545454,
0.18181818181818182
] | [
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[
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[
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] | -69.614591 | [
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3.57,
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0,
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[
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[
0.00065812,
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... | 5.002301 | 16.931353 | pbe | true | caf66a61322051feff1cadcaf51b9f99_12_Ce2Np1Tl2S6 |
[
"Ce",
"P",
"Pa",
"U"
] | 8 | A4B2CD | CeP4Pa2U | Ce1 U1 Pa2 P4 | 4 | [
1,
1,
1
] | 3 | [
[
3.9783943,
0,
0
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[
0,
6.91683553,
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[
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] | agm004846409 | [
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[
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4... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "U", "attached":... | [
"Ce",
"U",
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"Pa",
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] | 2023-11-16 06:57:59 | [
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] | 1.9788 | 14.078948 | pbe | true | ae126bd0941c863f6c915d9b04620c71_10_Ce1U1Pa2P4 |
[
"Ce",
"Pa",
"Tc",
"Th"
] | 20 | A5B2C2D | CePa2Tc5Th2 | Ce2 Th4 Pa4 Tc10 | 4 | [
1,
1,
1
] | 3 | [
[
3.82616559,
0,
0
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[
0,
10.61507234,
0
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[
0,
0,
10.61507234
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] | agm005144471 | [
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[
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... | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pa", "attached"... | [
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"Tc",
"Tc",
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] | 2023-11-16 06:57:59 | [
0.1,
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[
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0.00... | -0.000316 | 28.712503 | pbe | true | 9a5e257cbb1365bc121bd6c79b1f5b31_127_Ce2Th4Pa4Tc10 |
[
"Ce",
"Rh",
"Tc",
"Tm"
] | 4 | ABCD | CeRhTcTm | Ce1 Tm1 Tc1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.84019674,
0,
0
],
[
2.42009837,
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0
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[
2.42009837,
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] | agm001402618 | [
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[
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Rh", "attached"... | [
"Tm",
"Rh",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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4.73624,
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[
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] | -29.796857 | [
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[
0,
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[
0,
0,
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] | 0.000015 | 3.157104 | pbe | true | bae8864fc72995bc87d961c5bae5e323_216_Ce1Tm1Tc1Rh1 |
[
"Ce",
"Sb",
"Th",
"Y"
] | 12 | A6B3C2D | Ce2Sb6Th3Y | Ce2 Y1 Th3 Sb6 | 4 | [
1,
1,
1
] | 3 | [
[
4.48639158,
0,
0
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[
0,
8.96874067,
0.32529195
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[
-2.24319579,
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[
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6.32026935... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Th", "attached"... | [
"Ce",
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"Y",
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"Th",
"Th",
"Sb",
"Sb",
"Sb",
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"Sb",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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[
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] | -77.410608 | [
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[
0,
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[
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0.000... | 1.854997 | 17.631584 | pbe | true | fa43a42fe5ae94b7e86a5068619993b5_12_Ce2Y1Th3Sb6 |
[
"Cl",
"Co",
"I",
"S"
] | 5 | A2BCD | ClCoIS2 | Co1 S2 I1 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.13611889,
0,
0
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[
0,
5.13611889,
0
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[
0,
0,
5.31180831
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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": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Co", "attached": ... | [
"I",
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"S",
"Co",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
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0.2,
0.4
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[
0,
0.50131696,
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[
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] | -12.810045 | [
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[
0,
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[
0,
0,
0
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] | 2.563172 | 6.404938 | pbe | true | 9df4dcc56069c09f89b7d0262598bac8_123_Co1S2I1Cl1 |
[
"Cl",
"Cs",
"F",
"Re"
] | 20 | A6B2CD | Cl2CsF6Re | Cs2 Re2 Cl4 F12 | 4 | [
1,
1,
1
] | 3 | [
[
8.01392271,
0,
0.54190224
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[
0,
6.83468593,
0
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[
0.70540813,
0,
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[
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3.9995855034813728
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[
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3.43332519... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "F", "attached":... | [
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"F",
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"F",
"F",
"F",
"F",
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"F",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
0,
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[
1.4107174,
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] | -94.180025 | [
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[
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[
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-0.000... | 4.000001 | 22.058334 | pbe | true | 7da77cf056f68a6500c43b1fedd7239e_14_Cs2Re2Cl4F12 |
[
"Cl",
"Cs",
"Ir",
"Pb"
] | 9 | A6BCD | Cl6CsIrPb | Cs1 Ir1 Pb1 Cl6 | 4 | [
1,
1,
1
] | 3 | [
[
7.07064826,
0.000028,
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],
[
3.53540057,
6.12336132,
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[
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] | agm005099776 | [
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[
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[
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[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ir", "attached"... | [
"Cs",
"Ir",
"Pb",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
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] | -33.908892 | [
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[
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[
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0.002533... | -0 | 0 | pbe | true | db33384a5d4af94792de2b9c1ac069a7_149_Cs1Ir1Pb1Cl6 |
[
"Cl",
"Cs",
"Li",
"Sm"
] | 16 | A5BCD | Cl5CsLiSm | Cs2 Li2 Sm2 Cl10 | 4 | [
1,
1,
1
] | 3 | [
[
7.80766635,
0.02198529,
-0.08221184
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[
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[
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] | agm005068151 | [
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[
2.5730699021647885,
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[
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[
-1.202427835,
-1.62417... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sm", "attached"... | [
"Cs",
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"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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] | 2023-11-16 06:57:59 | [
0.625,
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0.125
] | [
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[
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[
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] | -67.233667 | [
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[
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[
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0
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[
0.00271186,
... | 0.000026 | 0 | pbe | true | 71688524f55fc3cc5dcba489c7e0eb3b_15_Cs2Li2Sm2Cl10 |
[
"Cl",
"Cs",
"K",
"Ni"
] | 14 | A4BCD | Cl4CsKNi | Cs2 K2 Ni2 Cl8 | 4 | [
1,
1,
1
] | 3 | [
[
6.63141502,
0,
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[
0,
7.30725936,
0
],
[
-3.12054316,
0,
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] | agm005055034 | [
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[
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[
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[
0.4726097115822214,
5.480... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": ... | [
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"Ni",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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] | 2023-11-16 06:57:59 | [
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0.14285714285714285,
0.14285714285714285
] | [
[
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0,
0.01527337
],
[
0,
-0.7934224,
0
],
[
0.01527342,
0,
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]
] | -49.389379 | [
0.001,
0.001,
0,
0,
1.422,
1.422,
0.115,
0.115,
0.115,
0.115,
0.072,
0.072,
0.078,
0.078
] | [
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[
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[
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[
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[
-0.00493414,
0,
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[
0.00004457,
0.002390... | 3.999998 | 1.401511 | pbe | true | 18879e22f74bc9d36107eb4be615b8e1_11_Cs2K2Ni2Cl8 |
[
"Cl",
"Cu",
"Sn",
"Tl"
] | 18 | A5B2CD | Cl5CuSnTl2 | Tl4 Cu2 Sn2 Cl10 | 4 | [
1,
1,
1
] | 3 | [
[
4.16356044,
0,
0
],
[
-2.08178022,
9.18879217,
0
],
[
0,
0,
13.89652034
]
] | agm005155263 | [
[
2.08178022,
6.8293321581869835,
11.661399978523502
],
[
2.5885859363567932e-17,
1.8509910298281733,
9.418353736671083
],
[
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2.3594600118130162,
4.7131398085235015
],
[
2.08178022,
7.337801140171826,
2.470093566671084
],
[
... | [{"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": "Cu", "attached"... | [
"Tl",
"Tl",
"Tl",
"Tl",
"Cu",
"Cu",
"Sn",
"Sn",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.5555555555555556,
0.1111111111111111,
0.1111111111111111,
0.2222222222222222
] | [
[
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0,
0
],
[
0,
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0
],
[
0,
0,
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]
] | -59.999988 | [
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0,
0,
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0.034,
0.034,
0,
0,
0,
0,
0.002,
0,
0.004,
0,
0,
0.002,
0,
0.004
] | [
[
0,
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[
0,
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],
[
0,
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[
0,
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[
0,
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[
0,
0.00981571,
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[
0,
0.00237453,
0.... | 0.082506 | -0.000323 | pbe | true | bcc85e224d15176e1122ee7aa3edfdda_36_Tl4Cu2Sn2Cl10 |
[
"Cl",
"Dy",
"Nb",
"O"
] | 14 | A4BCD | ClDyNbO4 | Dy2 Nb2 Cl2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
6.79305912,
0.658698,
-0.27185654
],
[
2.87165626,
6.19137509,
-0.27185654
],
[
1.68012976,
1.19082779,
6.74043046
]
] | agm005047665 | [
[
4.210006061017734,
2.9839315586278348,
5.628351260916483
],
[
7.134839078982265,
5.056969321372165,
0.5683661190835163
],
[
7.387000958992865,
5.235694430267809,
4.5324832372158514
],
[
3.9578441810071343,
2.805206449732191,
1.6642341427841483
],
[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Dy", "attached": ... | [
"Dy",
"Dy",
"Nb",
"Nb",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.14285714285714285,
0.14285714285714285,
0.5714285714285714
] | [
[
0.54081327,
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],
[
0.05875934,
0.49955708,
0.00097044
],
[
0.00136917,
0.00097043,
0.5762529
]
] | -107.911827 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00157237,
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],
[
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[
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[
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0.00015283
],
[
0.00141665,
0.00100408,
0.00286502
],
[
-0.00141665,
-0.0010... | -0.000001 | -0.000044 | pbe | true | f227afd32bf0631687b9cf0e0b715f6f_12_Dy2Nb2Cl2O8 |
[
"Cl",
"F",
"Mn",
"Tl"
] | 7 | A3B2CD | ClF3MnTl2 | Mn1 Tl2 Cl1 F3 | 4 | [
1,
1,
1
] | 3 | [
[
5.10730843,
0,
0
],
[
0,
4.255005,
0
],
[
-2.55365421,
-2.1275025,
7.06309178
]
] | agm004760026 | [
[
0,
0,
0
],
[
2.553656744744897,
2.1275003512224746,
2.2986462798309906
],
[
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0.000002148777525213778,
4.764445500169009
],
[
2.553654215,
0,
0
],
[
0,
2.1275025,
0
],
[
1.507986098245768e-9,
1.1045027... | [{"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": "Cl", "attached"... | [
"Mn",
"Tl",
"Tl",
"Cl",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.42857142857142855,
0.14285714285714285,
0.2857142857142857
] | [
[
1.1228689,
0,
0
],
[
0,
1.1673813,
0
],
[
0,
0,
1.0253056
]
] | -32.631873 | [
4.665,
0.003,
0.003,
0.022,
0.044,
0.023,
0.023
] | [
[
0,
0,
0
],
[
0,
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[
0,
0,
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0.00202373
],
[
0,
0,
-0.00202373
]
] | 5.000002 | 0 | pbe | true | 0ca4417a6054baec4e1fc3a1661d28e9_71_Mn1Tl2Cl1F3 |
[
"Cl",
"F",
"O",
"Y"
] | 5 | A2BCD | ClFO2Y | Y1 Cl1 O2 F1 | 4 | [
1,
1,
1
] | 3 | [
[
4.59856999,
0,
0
],
[
0,
4.59856999,
0
],
[
0,
0,
4.31036167
]
] | agm001741226 | [
[
0,
0,
0
],
[
0,
0,
2.155180835
],
[
0,
2.299284995,
0
],
[
2.299284995,
0,
0
],
[
2.299284995,
2.299284995,
2.155180835
]
] | [{"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": "Cl", "attached": nu... | [
"Y",
"F",
"O",
"O",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
1.2874045,
0,
0
],
[
0,
1.2874045,
0
],
[
0,
0,
1.1360755
]
] | -27.984453 | [
-0.046,
0.008,
0.878,
0.878,
0.692
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.000001 | 3.155601 | pbe | true | 770826614b45971f05e5e482f8036cd8_123_Y1Cl1O2F1 |
[
"Cl",
"Ga",
"P",
"Rh"
] | 5 | A2BCD | Cl2GaPRh | Ga1 P1 Rh1 Cl2 | 4 | [
1,
1,
1
] | 3 | [
[
4.57122569,
0,
0
],
[
0,
5.33957579,
0
],
[
0,
0,
4.57122569
]
] | agm001597944 | [
[
2.285612845,
2.669787895,
2.285612845
],
[
0,
2.669787895,
0
],
[
0,
0,
0
],
[
0,
0,
2.285612845
],
[
2.285612845,
0,
0
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Rh", "attached"... | [
"P",
"Rh",
"Ga",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
3.3124459,
0,
0
],
[
0,
1.7985163,
0
],
[
0,
0,
3.3124459
]
] | -16.011481 | [
0.646,
-0.567,
0.032,
0.03,
0.038
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.936985 | 4.261324 | pbe | true | db32d876c9675a19eec339265a1cd9d0_123_Ga1P1Rh1Cl2 |
[
"Cl",
"Ga",
"Tl",
"Zr"
] | 5 | A2BCD | ClGa2TlZr | Zr1 Tl1 Ga2 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.17715973,
0,
0
],
[
0,
5.39505412,
0
],
[
0,
0,
5.17715973
]
] | agm001580278 | [
[
0,
0,
0
],
[
0,
0,
2.588579865
],
[
2.588579865,
0,
0
],
[
2.588579865,
2.69752706,
2.588579865
],
[
0,
2.69752706,
0
]
] | [{"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": "Cl", "attached"... | [
"Tl",
"Ga",
"Ga",
"Zr",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
1.7895575,
0,
0
],
[
0,
2.4992602,
0
],
[
0,
0,
1.7895575
]
] | -14.846583 | [
0,
0,
0,
0.001,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.002166 | 4.828322 | pbe | true | d478f08c1f4861cdb074ae0230dfdf36_123_Zr1Tl1Ga2Cl1 |
[
"Cl",
"Ga",
"Se",
"Tl"
] | 5 | A2BCD | ClGaSe2Tl | Tl1 Ga1 Se2 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.2159358,
0,
0
],
[
0,
10.49333886,
0
],
[
0,
0,
5.2159358
]
] | agm001500313 | [
[
0,
0,
0
],
[
0,
5.24666943,
0
],
[
0,
0,
2.6079679
],
[
2.6079679,
0,
0
],
[
2.6079679,
5.24666943,
2.6079679
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cl", "attached"... | [
"Tl",
"Ga",
"Se",
"Se",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
-0.20929158,
0,
0
],
[
0,
0.87648886,
0
],
[
0,
0,
-0.20929158
]
] | -12.487294 | [
0.02,
0,
0.161,
0.181,
-0.018
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.545627 | 3.740953 | pbe | true | be3783d41c52959686a387f91371bc1c_123_Tl1Ga1Se2Cl1 |
[
"Cl",
"H",
"Os",
"Rb"
] | 12 | A8B2CD | Cl8H2OsRb | Rb1 H2 Os1 Cl8 | 4 | [
1,
1,
1
] | 3 | [
[
6.89228389,
0.26274468,
-0.00367335
],
[
0.43638175,
6.91539253,
-2.18613004
],
[
-0.06463807,
-3.35154639,
8.74888008
]
] | agm004912906 | [
[
-0.032319035,
-1.675773195,
4.37444004
],
[
2.566799571598937,
1.249215065147335,
4.926021874727568
],
[
4.697227998401063,
2.577375754852665,
1.63305481527243
],
[
0,
0,
0
],
[
1.921873097606475,
5.74016250978499,
-0.8612209781634805
]... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rb", "attached": ... | [
"Rb",
"H",
"H",
"Os",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.08333333333333333,
0.08333333333333333
] | [
[
0.16171488,
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-0.02617262
],
[
-0.02184097,
0.01713742,
0.00099595
],
[
-0.02617264,
0.00099588,
0.03686536
]
] | -42.511331 | [
0.004,
0,
0,
1.921,
0.124,
0.132,
0.064,
0.124,
0.132,
0.064,
0.008,
0.008
] | [
[
0,
0,
0
],
[
-0.00165735,
0.00294294,
0.00077954
],
[
0.00165735,
-0.00294294,
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[
0,
0,
0
],
[
0.00091016,
0.00321595,
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],
[
-0.00099573,
0.00045491,
0.00021596
],
[
-0.00089702,
0.0011... | 2.999615 | -0.206841 | pbe | true | 07dfbacaf839a582d1dfa24b631abdc8_2_Rb1H2Os1Cl8 |
[
"Cl",
"H",
"P",
"Sc"
] | 5 | A2BCD | Cl2HPSc | Sc1 P1 H1 Cl2 | 4 | [
1,
1,
1
] | 3 | [
[
5.03248576,
0,
0
],
[
0,
5.03248576,
0
],
[
0,
0,
5.32431747
]
] | agm001688277 | [
[
0,
0,
0
],
[
0,
0,
2.662158735
],
[
2.51624288,
2.51624288,
2.662158735
],
[
0,
2.51624288,
0
],
[
2.51624288,
0,
0
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Cl", "attached": ... | [
"Sc",
"P",
"H",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
1.0708194,
0,
0
],
[
0,
1.0708194,
0
],
[
0,
0,
1.174647
]
] | -20.212594 | [
0.041,
0.748,
0.382,
0.067,
0.067
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.000795 | 0.397232 | pbe | true | 0aedb968e1640e700b3680fc3665abbe_123_Sc1P1H1Cl2 |
[
"Cl",
"Hg",
"Mn",
"V"
] | 9 | A6BCD | Cl6HgMnV | Mn1 V1 Hg1 Cl6 | 4 | [
1,
1,
1
] | 3 | [
[
6.18872905,
-0.00367107,
-0.02743878
],
[
3.09120917,
5.36136618,
0.02712758
],
[
-0.02991486,
0.05258431,
8.87600753
]
] | agm005100320 | [
[
3.0683556488708157,
1.8062967908470138,
4.437443161317493
],
[
6.164398767672898,
3.594031568725736,
4.437662164707135
],
[
0.050215541478978803,
0.10038783565094961,
8.8760073441124
],
[
7.223503213821138,
1.9912013751282855,
3.073229800870278
],
[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Cl", "attached"... | [
"Mn",
"V",
"Hg",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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0.1111111111111111,
0.1111111111111111
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[
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[
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] | -38.412981 | [
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[
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0.00290... | 5.999645 | 5.777668 | pbe | true | 846461a040818620c28c2d87208a29c0_5_Mn1V1Hg1Cl6 |
[
"Cl",
"Hg",
"Rb",
"Re"
] | 18 | A6BCD | Cl6HgRbRe | Rb2 Re2 Hg2 Cl12 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
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] | agm005090231 | [
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[
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"Cl",
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] | 2023-11-16 06:57:59 | [
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[
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0.00573... | 3.988592 | 12.613547 | pbe | true | 1a878bb236af51919e5e68c3f96e2c30_163_Rb2Re2Hg2Cl12 |
[
"Cl",
"Hg",
"Rb",
"Tl"
] | 14 | A4BCD | Cl4HgRbTl | Rb2 Tl2 Hg2 Cl8 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0.06066111
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[
0,
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[
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] | agm005055144 | [
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[
1.0054721611131847,... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rb", "attached"... | [
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"Hg",
"Hg",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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] | 2023-11-16 06:57:59 | [
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[
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0.001... | 0 | 0 | pbe | true | 097d5c05b916f975bcb40c5e513a6191_11_Rb2Tl2Hg2Cl8 |
[
"Cl",
"Hg",
"S",
"Tc"
] | 5 | A2BCD | Cl2HgSTc | Tc1 Hg1 S1 Cl2 | 4 | [
1,
1,
1
] | 3 | [
[
4.97709471,
0,
0
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[
0,
4.97709471,
0
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[
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4.53085647
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] | agm001693851 | [
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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": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Hg", "attached": ... | [
"S",
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"Cl",
"Hg",
"Tc"
] | 2023-11-16 06:57:59 | [
0.4,
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[
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[
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] | -18.977599 | [
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[
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[
0,
0,
0
]
] | 0.886616 | 2.498648 | pbe | true | ef3f950001eae5cd312fedfcb22f6680_123_Tc1Hg1S1Cl2 |
[
"Cl",
"I",
"Mn",
"Pd"
] | 5 | A2BCD | ClI2MnPd | Mn1 Pd1 I2 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.35399738,
0,
0
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[
0,
5.2144572,
0
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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": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pd", "attached": ... | [
"I",
"I",
"Mn",
"Pd",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.2,
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] | [
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[
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[
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] | -18.120393 | [
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[
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[
0,
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0
]
] | 5.046029 | 5.335427 | pbe | true | 51f07a74dbe81f1b0e6ae17da9fb55cd_123_Mn1Pd1I2Cl1 |
[
"Cl",
"I",
"P",
"Sc"
] | 5 | A2BCD | Cl2IPSc | Sc1 P1 I1 Cl2 | 4 | [
1,
1,
1
] | 3 | [
[
5.28015195,
0,
0
],
[
0,
5.28015195,
0
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[
0,
0,
5.44380574
]
] | agm001689743 | [
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[
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[
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"Sc",
"P",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.4,
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] | [
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[
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[
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] | -14.437249 | [
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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
]
] | 0.678989 | 5.710374 | pbe | true | 9c8ab8a21cb0dc3c08e80f65c0197af3_123_Sc1P1I1Cl2 |
[
"Cl",
"K",
"Li",
"Sc"
] | 16 | A5BCD | Cl5KLiSc | K2 Li2 Sc2 Cl10 | 4 | [
1,
1,
1
] | 3 | [
[
7.27875808,
-0.02730575,
-0.06448274
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[
-2.15088547,
6.95375844,
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[
-2.20553408,
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] | agm005068094 | [
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[
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[
-1.102... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached":... | [
"K",
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"Sc",
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"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
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"Cl",
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] | 2023-11-16 06:57:59 | [
0.625,
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] | [
[
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[
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[
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] | -69.380694 | [
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[
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[
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[
0.00322905,
... | 0 | 0 | pbe | true | 0cb42840a7d22d2fb93220be369f756e_15_K2Li2Sc2Cl10 |
[
"Cl",
"K",
"Na",
"Tl"
] | 12 | A3BCD | Cl3KNaTl | K2 Na2 Tl2 Cl6 | 4 | [
1,
1,
1
] | 3 | [
[
4.38827606,
0,
0
],
[
0,
9.29894809,
1.41936278
],
[
0,
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]
] | agm005026999 | [
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[
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[
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[
1.097069015,
5.4626... | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "K", "attached":... | [
"K",
"K",
"Na",
"Na",
"Tl",
"Tl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
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[
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[
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] | -39.04374 | [
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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,
0.00599832,
0.0... | 0 | 0 | pbe | true | 2f72ee5f1143174cd70636da5b02b3ba_11_K2Na2Tl2Cl6 |
[
"Cl",
"O",
"Sb",
"Y"
] | 8 | A4B2CD | ClO4Sb2Y | Y1 Sb2 Cl1 O4 | 4 | [
1,
1,
1
] | 3 | [
[
3.80797821,
0,
0
],
[
0,
3.80797821,
0
],
[
0,
0,
8.85467404
]
] | agm002173079 | [
[
0,
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[
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[
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[
1.903989105,
0,
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[
1.903989105,
0,
1... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sb", "attached": ... | [
"Y",
"Sb",
"Sb",
"O",
"O",
"O",
"O",
"Cl"
] | 2023-11-16 06:57:59 | [
0.125,
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0.25,
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] | [
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[
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[
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] | -52.573666 | [
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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,
0,
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[
0,
0,
0.00440932
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[
0,
0,
7e-8
]
] | 0 | 0 | pbe | true | 183ccd6f7e7131bb921a84856d82ccc1_123_Y1Sb2Cl1O4 |
[
"Cl",
"Pt",
"Rh",
"Se"
] | 5 | A2BCD | ClPtRhSe2 | Rh1 Pt1 Se2 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
4.80451035,
0,
0
],
[
0,
5.46154897,
0
],
[
0,
0,
4.80451035
]
] | agm001509538 | [
[
0,
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[
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[
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0,
0
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[
0,
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0
],
[
2.402255175,
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]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rh", "attached"... | [
"Rh",
"Se",
"Se",
"Pt",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0,
0
],
[
0,
4.3741674,
0
],
[
0,
0,
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]
] | -18.204247 | [
1.721,
0.169,
0.279,
0.184,
0.185
] | [
[
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,
0,
0
]
] | 2.96472 | 8.778203 | pbe | true | f9de5abfd361cda91d81067097fd789a_123_Rh1Pt1Se2Cl1 |
[
"Co",
"Cr",
"Hg",
"O"
] | 15 | A8B3C3D | CoCr3Hg3O8 | Cr3 Co1 Hg3 O8 | 4 | [
1,
1,
1
] | 3 | [
[
5.93006433,
0,
0
],
[
-2.96503216,
5.12758437,
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],
[
0,
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6.49515357
]
] | agm004684080 | [
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2.965032165,
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3.212754855
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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": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Co", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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-0.0... | 7.433593 | 2.153605 | pbe | true | 76e61b7512e8d345a824b47f61fe01ff_12_Cr3Co1Hg3O8 |
[
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1,
1,
1
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0,
0
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... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached"... | [
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] | 0.398108 | 1.925363 | pbe | true | 3afdddd40456fad34be4bef815e407b5_156_Li1Cr1Co1N1 |
[
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1,
1,
1
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[
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] | 0.88532 | 9.879005 | pbe | true | ca36f0e317d161c5b6345667b3da2109_123_Cr1Co2Mo1W1 |
[
"Co",
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] | 11 | A6B2C2D | Co2Cs2O6Pa | Cs2 Pa1 Co2 O6 | 4 | [
1,
1,
1
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[
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0,
0
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... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": ... | [
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0.004... | 7.000001 | 0.829517 | pbe | true | 28eedd1011bfc8fd683e4f9f26e44c98_166_Cs2Pa1Co2O6 |
[
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] | 5 | A2BCD | Co2CuFeTe | Fe1 Co2 Cu1 Te1 | 4 | [
1,
1,
1
] | 3 | [
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0,
0
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[
0,
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] | 5.161018 | 7.350099 | pbe | true | 6c962f43f4b9e38b8d43d4c8943952e7_123_Fe1Co2Cu1Te1 |
[
"Co",
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] | 24 | A6B3C2D | Co3F6LiO2 | Li2 Co6 O4 F12 | 4 | [
1,
1,
1
] | 3 | [
[
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... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": ... | [
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-0.00215... | 15.940899 | 0.281112 | pbe | true | 4074dd043b7ca1304f7adee269da7a80_2_Li2Co6O4F12 |
[
"Co",
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"Rh",
"Ti"
] | 4 | ABCD | CoCuRhTi | Ti1 Co1 Cu1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.20069306,
0,
0
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[
2.10034653,
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0
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[
2.10034653,
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] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rh", "attached"... | [
"Co",
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[
0,
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] | 0.635281 | 5.156202 | pbe | true | 7271eef315a48709d84f53e8e983a95e_216_Ti1Co1Cu1Rh1 |
[
"Co",
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"Sm",
"Tm"
] | 4 | ABCD | CoCuSmTm | Sm1 Tm1 Co1 Cu1 | 4 | [
1,
1,
1
] | 3 | [
[
4.83047138,
0,
0
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[
2.41523569,
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] | 2023-11-16 06:57:59 | [
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[
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[
0,
0,
0
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] | 0.373515 | 3.312677 | pbe | true | e7eba81c7622196c332529a37659282d_216_Sm1Tm1Co1Cu1 |
[
"Co",
"Cu",
"Tm",
"Y"
] | 4 | ABCD | CoCuTmY | Y1 Tm1 Co1 Cu1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tm", "attached"... | [
"Y",
"Tm",
"Co",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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] | -22.964982 | [
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[
0,
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[
0,
0,
0
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] | 0.34033 | 3.487484 | pbe | true | 7c3beb3dbbab3110d3965790516d9339_216_Y1Tm1Co1Cu1 |
[
"Co",
"F",
"Li",
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] | 28 | A13B7C5D3 | Co7F13Li5O3 | Li5 Co7 O3 F13 | 4 | [
1,
1,
1
] | 3 | [
[
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[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": ... | [
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[
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-0.00279915... | 6.9729 | 0 | pbe | true | f7f667ca9e37779055610170bf28111e_1_Li5Co7O3F13 |
[
"Co",
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"Mn",
"Rb"
] | 18 | A12B3C2D | Co3F12MnRb2 | Rb2 Mn1 Co3 F12 | 4 | [
1,
1,
1
] | 3 | [
[
7.3749492,
0.00500666,
0.00355118
],
[
3.64648978,
6.41038322,
0.00355118
],
[
3.64648978,
2.12255892,
6.04878247
]
] | agm004497474 | [
[
9.101871645211137,
5.298042781807488,
3.7578507042627107
],
[
5.566057114788863,
3.239906018192512,
2.298034125737289
],
[
0,
0,
0
],
[
3.6874746,
0.00250333,
0.00177559
],
[
1.82324489,
3.20519161,
0.00177559
],
[
1.82324489,
... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached"... | [
"Rb",
"Rb",
"Mn",
"Co",
"Co",
"Co",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.05555555555555555,
0.1111111111111111
] | [
[
2.587469,
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],
[
-0.08467663,
2.683652,
-0.03496008
],
[
-0.06006032,
-0.03496008,
2.708144
]
] | -89.073177 | [
0.001,
0.001,
4.734,
3.16,
3.16,
3.16,
0.135,
0.119,
0.119,
0.135,
0.119,
0.135,
0.135,
0.119,
0.119,
0.135,
0.119,
0.135
] | [
[
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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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[
0.00179049,
0.00104221,
0.00204336
],
[
0.00135445,
0.0007884... | 16.083757 | 8.660352 | pbe | true | 98c73f6964c6f9f9262b99d94f487fda_166_Rb2Mn1Co3F12 |
[
"Co",
"F",
"Pb",
"Rb"
] | 15 | A9B3C2D | Co2F9PbRb3 | Rb3 Co2 Pb1 F9 | 4 | [
1,
1,
1
] | 3 | [
[
6.1564562,
0,
0
],
[
-3.0782281,
5.33164746,
0
],
[
0,
0,
7.70883084
]
] | agm004677001 | [
[
-3.0782281163880756e-8,
3.554431657772158,
5.2937222068043175
],
[
0,
0,
0
],
[
3.078228130782281,
1.7772158022278417,
2.415108633195683
],
[
-3.0782281163880756e-8,
3.554431657772158,
1.1350932724537055
],
[
3.078228130782281,
1.777215802227... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Co", "attached": ... | [
"Rb",
"Rb",
"Rb",
"Co",
"Co",
"Pb",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.13333333333333333,
0.6,
0.06666666666666667,
0.2
] | [
[
1.587527,
0,
0
],
[
0,
1.587527,
0
],
[
0,
0,
1.8249961
]
] | -68.803855 | [
0,
-0.001,
0,
2.772,
2.772,
0.021,
0.033,
0.033,
0.033,
0.033,
0.033,
0.033,
0.061,
0.061,
0.061
] | [
[
0,
0,
0.00450569
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[
0,
0,
0
],
[
0,
0,
-0.00450569
],
[
0,
0,
0.00383841
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[
0,
0,
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[
0,
0,
0
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[
0.00051182,
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[
0,
0.000591,
-0.00002558
],
[... | 6.000001 | 10.182664 | pbe | true | d4dbf484f998e9dfcb63f5d0eed4a2d0_164_Rb3Co2Pb1F9 |
[
"Co",
"Fe",
"Hg",
"Li"
] | 5 | A2BCD | CoFe2HgLi | Li1 Fe2 Co1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
4.01819412,
0,
0
],
[
0,
3.99950426,
0
],
[
0,
0,
4.01819412
]
] | agm001551673 | [
[
0,
0,
0
],
[
0,
1.99975213,
0
],
[
2.00909706,
1.99975213,
2.00909706
],
[
0,
0,
2.00909706
],
[
2.00909706,
0,
0
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached"... | [
"Li",
"Co",
"Hg",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
10.972719,
0,
0
],
[
0,
10.90096,
0
],
[
0,
0,
10.972719
]
] | -19.910174 | [
-0.015,
1.224,
0.008,
-0.568,
-0.171
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.428897 | 10.808118 | pbe | true | 083c12c5a5759b34dd4d33f3d182c4f8_123_Li1Fe2Co1Hg1 |
[
"Co",
"Fe",
"Mn",
"Tc"
] | 4 | ABCD | CoFeMnTc | Mn1 Fe1 Co1 Tc1 | 4 | [
1,
1,
1
] | 3 | [
[
4.13577958,
0,
0
],
[
2.06788979,
3.58169018,
0
],
[
2.06788979,
1.19389673,
3.37684989
]
] | agm001403304 | [
[
6.20366937,
3.5816901825,
2.5326374175
],
[
4.13577958,
2.3877934549999997,
1.688424945
],
[
0,
0,
0
],
[
2.06788979,
1.1938967274999999,
0.8442124725
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached"... | [
"Mn",
"Co",
"Tc",
"Fe"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
7.7793965,
0,
0
],
[
0,
7.7793965,
0
],
[
0,
0,
7.7793965
]
] | -34.806505 | [
2.634,
1.536,
-0.239,
2.721
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.655035 | 1.961368 | pbe | true | 9c55b9a446c86fa8650ddb818c7731c0_216_Mn1Fe1Co1Tc1 |
[
"Co",
"Fe",
"Nb",
"Pt"
] | 4 | ABCD | CoFeNbPt | Nb1 Fe1 Co1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.27731992,
0,
0
],
[
2.13865996,
3.70426771,
0
],
[
2.13865996,
1.2347559,
3.49241709
]
] | agm001303112 | [
[
2.13865996,
1.2347559025,
0.8731042725
],
[
4.27731992,
2.469511805,
1.746208545
],
[
0,
0,
0
],
[
6.41597988,
3.7042677074999997,
2.6193128175
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached"... | [
"Nb",
"Co",
"Fe",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.556278,
0,
0
],
[
0,
4.556278,
0
],
[
0,
0,
4.556278
]
] | -32.321273 | [
-0.411,
0.063,
2.224,
0.158
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.984893 | 4.137586 | pbe | true | 63c688be151fe80db68e0a2db84c1498_216_Nb1Fe1Co1Pt1 |
[
"Co",
"Fe",
"Sb",
"Zn"
] | 4 | ABCD | CoFeSbZn | Zn1 Fe1 Co1 Sb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.23608573,
0,
0
],
[
2.11804286,
3.66855785,
0
],
[
2.11804286,
1.22285262,
3.45874951
]
] | agm001369685 | [
[
4.236085725000001,
2.445705235,
1.729374755
],
[
0,
0,
0
],
[
2.1180428625000003,
1.2228526175,
0.8646873775
],
[
6.354128587500001,
3.6685578525,
2.5940621325
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
"Zn",
"Co",
"Fe"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.3848577,
0,
0
],
[
0,
5.3848577,
0
],
[
0,
0,
5.3848577
]
] | -20.539855 | [
-0.013,
-0.014,
0.104,
0.299
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.34301 | 2.512123 | pbe | true | adb4ef0fae7ad25d9354c57014dbbc01_216_Zn1Fe1Co1Sb1 |
[
"Co",
"Fe",
"Si",
"Tb"
] | 9 | A3B3C2D | CoFe3Si2Tb3 | Tb3 Fe3 Co1 Si2 | 4 | [
1,
1,
1
] | 3 | [
[
4.20587554,
0,
0
],
[
0,
6.69286765,
0
],
[
0,
-3.34643382,
5.79619341
]
] | agm002356309 | [
[
0,
0,
0
],
[
2.10293777,
-3.013100523197044e-8,
3.8641289593206447
],
[
2.10293777,
3.346433860131005,
1.9320644506793552
],
[
0,
4.71680982370065,
3.42263255950934
],
[
0,
0.6056818385036662,
5.79619341
],
[
0,
1.370375997795... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Co", "attached"... | [
"Co",
"Si",
"Si",
"Tb",
"Tb",
"Tb",
"Fe",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.3333333333333333,
0.2222222222222222,
0.3333333333333333
] | [
[
2.6623874,
0,
0
],
[
0,
2.68236,
0
],
[
0,
0,
2.68236
]
] | -59.874824 | [
1.323,
-0.02,
-0.02,
-0.131,
-0.118,
-0.11,
2.42,
2.446,
2.519
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00049131,
-0.00085097
],
[
0,
-0.00098261,
0
],
[
0,
0.00049131,
0.00085097
],
[
0,
-0.00154971,
-0.00268417
],
[
0,
0.00309941,
0
],
[
0,... | 8.314845 | 8.404177 | pbe | true | e3b82774f37fe74ac8b7513c2782b41e_189_Tb3Fe3Co1Si2 |
[
"Co",
"Ga",
"In",
"Sr"
] | 5 | A2BCD | CoGaIn2Sr | Sr1 In2 Ga1 Co1 | 4 | [
1,
1,
1
] | 3 | [
[
5.00092677,
0,
0
],
[
0,
5.00092677,
0
],
[
0,
0,
4.70853826
]
] | agm001629141 | [
[
2.500463385,
2.500463385,
2.35426913
],
[
0,
0,
0
],
[
0,
0,
2.35426913
],
[
0,
2.500463385,
0
],
[
2.500463385,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Co",
"Ga",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
3.2031822,
0,
0
],
[
0,
3.2031822,
0
],
[
0,
0,
3.173367
]
] | -18.420706 | [
0,
0.002,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.002106 | 4.155936 | pbe | true | fac4d6e4c277e2ab66fd942278024b0c_123_Sr1In2Ga1Co1 |
[
"Co",
"Ga",
"Mg",
"W"
] | 5 | A2BCD | CoGaMg2W | Mg2 Ga1 Co1 W1 | 4 | [
1,
1,
1
] | 3 | [
[
4.65474798,
0,
0
],
[
0,
4.48197713,
0
],
[
0,
0,
4.65474798
]
] | agm001479218 | [
[
0,
0,
2.32737399
],
[
2.32737399,
0,
0
],
[
0,
0,
0
],
[
2.32737399,
2.240988565,
2.32737399
],
[
0,
2.240988565,
0
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": ... | [
"Mg",
"Mg",
"Co",
"Ga",
"W"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.587074,
0,
0
],
[
0,
6.835807,
0
],
[
0,
0,
0.587074
]
] | -22.807807 | [
-0.002,
-0.002,
-0.015,
-0.017,
0.453
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.524819 | 4.250098 | pbe | true | cb55e7c6e8bc9a9bcffe9b77f553cf82_123_Mg2Ga1Co1W1 |
[
"Co",
"Ga",
"Mg",
"Zn"
] | 4 | ABCD | CoGaMgZn | Mg1 Zn1 Ga1 Co1 | 4 | [
1,
1,
1
] | 3 | [
[
4.11707069,
0,
0
],
[
2.05853535,
3.56548781,
0
],
[
2.05853534,
1.18849594,
4.60627177
]
] | agm005192420 | [
[
6.175606056992497,
3.565487823681387,
2.482450859222139
],
[
2.0585353657428493,
1.1884959493062117,
1.042747858135836
],
[
4.117070713283137,
2.3769918855360683,
0.43912823264244366
],
[
2.058535340254979,
1.1884959398725106,
4.430096522741729
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Zn", "attached"... | [
"Mg",
"Zn",
"Ga",
"Co"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.4284458,
0,
0
],
[
0,
3.4284458,
0
],
[
0,
0,
3.4834366
]
] | -12.679943 | [
-0.003,
-0.001,
-0.005,
0.272
] | [
[
0,
0,
-0.00591139
],
[
0,
0,
0.00273045
],
[
0,
0,
0.00505889
],
[
0,
0,
-0.00187795
]
] | 0.261562 | 2.669012 | pbe | true | 762897fd09a54ab0e0c4d5adfcc199ba_160_Mg1Zn1Ga1Co1 |
[
"Co",
"Gd",
"Ho",
"In"
] | 4 | ABCD | CoGdHoIn | Gd1 Ho1 In1 Co1 | 4 | [
1,
1,
1
] | 3 | [
[
5.10042673,
0,
0
],
[
2.55021336,
4.41709912,
0
],
[
2.55021336,
1.47236637,
4.16448099
]
] | agm001403821 | [
[
7.650640087499999,
4.417099117499999,
3.1233607425
],
[
5.100426725,
2.9447327449999996,
2.082240495
],
[
2.5502133625,
1.4723663724999998,
1.0411202475
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached"... | [
"Gd",
"Co",
"Ho",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.7345126,
0,
0
],
[
0,
2.7345126,
0
],
[
0,
0,
2.7345126
]
] | -29.273921 | [
-7.105,
1.489,
-0.116,
0.058
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -5.8726 | 2.753103 | pbe | true | 40d15d8f2101097fa6d28c623315710d_216_Gd1Ho1In1Co1 |
[
"Co",
"Gd",
"Ho",
"Mg"
] | 4 | ABCD | CoGdHoMg | Gd1 Ho1 Mg1 Co1 | 4 | [
1,
1,
1
] | 3 | [
[
5.03400518,
0,
0
],
[
2.51700259,
4.35957637,
0
],
[
2.51700259,
1.45319212,
4.11024802
]
] | agm001399963 | [
[
0,
0,
0
],
[
7.551007770000001,
4.3595763675,
3.082686015
],
[
5.03400518,
2.906384245,
2.05512401
],
[
2.51700259,
1.4531921225,
1.027562005
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Co", "attached"... | [
"Mg",
"Gd",
"Co",
"Ho"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.7726176,
0,
0
],
[
0,
1.7726176,
0
],
[
0,
0,
1.7726176
]
] | -27.388971 | [
-0.005,
7.168,
-0.987,
0.18
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.685138 | 2.599134 | pbe | true | 46c3a420ec19736f034ae7329485776e_216_Gd1Ho1Mg1Co1 |
[
"Co",
"Gd",
"Lu",
"Mg"
] | 4 | ABCD | CoGdLuMg | Gd1 Lu1 Mg1 Co1 | 4 | [
1,
1,
1
] | 3 | [
[
4.99144226,
0,
0
],
[
2.49572113,
4.3227158,
0
],
[
2.49572113,
1.44090527,
4.07549554
]
] | agm001922065 | [
[
7.48716339,
4.322715802499999,
3.0566216550000003
],
[
0,
0,
0
],
[
2.49572113,
1.4409052675,
1.018873885
],
[
4.99144226,
2.881810535,
2.03774777
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mg", "attached"... | [
"Gd",
"Mg",
"Lu",
"Co"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.000951,
0,
0
],
[
0,
1.000951,
0
],
[
0,
0,
1.000951
]
] | -27.383336 | [
7.159,
-0.004,
0.143,
-0.919
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.71159 | 2.573896 | pbe | true | b1ba6230811e3a2d7edce9e230bb1794_216_Gd1Lu1Mg1Co1 |
[
"Co",
"Gd",
"Rh",
"Th"
] | 4 | ABCD | CoGdRhTh | Gd1 Th1 Co1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.9132806,
0,
0
],
[
2.4566403,
4.25502582,
0
],
[
2.4566403,
1.41834194,
4.01167681
]
] | agm001402529 | [
[
4.9132806,
2.83668388,
2.005838405
],
[
7.3699209,
4.25502582,
3.0087576074999998
],
[
0,
0,
0
],
[
2.4566403,
1.41834194,
1.0029192025
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Co", "attached"... | [
"Co",
"Gd",
"Rh",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.9340203,
0,
0
],
[
0,
3.9340203,
0
],
[
0,
0,
3.9340203
]
] | -37.683448 | [
0.309,
-7.021,
0.022,
-0.05
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -6.903469 | 3.327415 | pbe | true | c9624255203742263c59c1e643c25187_216_Gd1Th1Co1Rh1 |
[
"Co",
"Ge",
"Mo",
"Tc"
] | 4 | ABCD | CoGeMoTc | Co1 Tc1 Ge1 Mo1 | 4 | [
1,
1,
1
] | 3 | [
[
4.29224027,
0,
0
],
[
2.14612014,
3.71718912,
0
],
[
2.14612014,
1.23906304,
3.50459951
]
] | agm001907963 | [
[
6.438360412499999,
3.71718912,
2.6284496324999997
],
[
4.292240274999999,
2.47812608,
1.752299755
],
[
0,
0,
0
],
[
2.1461201374999996,
1.23906304,
0.8761498775
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Mo", "attached"... | [
"Co",
"Mo",
"Ge",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.1049814,
0,
0
],
[
0,
5.1049814,
0
],
[
0,
0,
5.1049814
]
] | -32.846939 | [
1.374,
0.589,
-0.004,
-0.045
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.925042 | 2.204393 | pbe | true | fa74677f34990b8321f18b72c06dbfc9_216_Co1Tc1Ge1Mo1 |
[
"Co",
"Ge",
"Pa",
"Si"
] | 10 | A4B3C2D | Co4Ge3Pa2Si | Pa2 Co4 Si1 Ge3 | 4 | [
1,
1,
1
] | 3 | [
[
4.00281719,
0,
0
],
[
0,
4.00281719,
0
],
[
0,
0,
9.60678791
]
] | agm004508296 | [
[
2.001408595,
0,
2.400226274338858
],
[
0,
2.001408595,
7.206561635661141
],
[
2.001408595,
2.001408595,
0
],
[
0,
0,
0
],
[
2.001408595,
0,
6.007461678378641
],
[
0,
2.001408595,
3.599326231621359
],
[
2.001408595,... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pa", "attached"... | [
"Pa",
"Pa",
"Co",
"Co",
"Co",
"Co",
"Si",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.4,
0.3,
0.2,
0.1
] | [
[
3.5389957,
0,
0
],
[
0,
3.5389957,
0
],
[
0,
0,
3.53676
]
] | -72.734036 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.0042211
],
[
0,
0,
-0.0042211
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00248122
],
[
0,
0,
0.00248122
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00546203
],
[
0,
... | 0.000352 | 6.217398 | pbe | true | 79549988f3fa2086d5035cec46124fa2_115_Pa2Co4Si1Ge3 |
[
"Co",
"H",
"Hf",
"Li"
] | 5 | A2BCD | Co2HHfLi | Li1 Hf1 Co2 H1 | 4 | [
1,
1,
1
] | 3 | [
[
3.87012687,
0,
0
],
[
0,
3.87012687,
0
],
[
0,
0,
3.54725266
]
] | agm001655021 | [
[
0,
1.935063435,
0
],
[
1.935063435,
0,
0
],
[
1.935063435,
1.935063435,
1.77362633
],
[
0,
0,
0
],
[
0,
0,
1.77362633
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Co", "attached": ... | [
"Co",
"Co",
"Hf",
"H",
"Li"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
5.1319866,
0,
0
],
[
0,
5.1319866,
0
],
[
0,
0,
4.4214067
]
] | -30.151262 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 0.97974 | pbe | true | 7de0c2c232c42380b8537a6e67a3aded_123_Li1Hf1Co2H1 |
[
"Co",
"H",
"Nd",
"Ni"
] | 12 | A8B2CD | CoH8NdNi2 | Nd1 Co1 Ni2 H8 | 4 | [
1,
1,
1
] | 3 | [
[
4.41770183,
-3.4e-7,
0
],
[
2.20885121,
3.82584184,
0
],
[
2.20885102,
1.2752805,
5.35317165
]
] | agm004894529 | [
[
4.417702030000001,
2.550561,
2.676585825
],
[
0,
0,
0
],
[
2.2088510362179936,
1.275280512752805,
0.6392887666501095
],
[
6.626553023782007,
3.8258414872471946,
4.713882883349891
],
[
2.2088488293532746,
1.275279237472305,
2.2342352649037... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Nd", "attached": ... | [
"Nd",
"Co",
"Ni",
"Ni",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.6666666666666666,
0.08333333333333333,
0.16666666666666666
] | [
[
-1.6783682,
-0.00000564,
0
],
[
0.00000564,
-1.6783682,
0
],
[
0,
0,
-1.5896161
]
] | -52.660054 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00868321
],
[
0,
0,
0.00868321
],
[
0,
0,
0.00380632
],
[
0.00578223,
0.00116893,
-0.0029193
],
[
0,
0,
-0.00380632
],
[
-0.00390344,
0.00442309,
-0.002919... | -0.000272 | 4.683661 | pbe | true | 259dd8e657d60569c10ce835208e89ac_148_Nd1Co1Ni2H8 |
[
"Co",
"Hf",
"Ru",
"Ti"
] | 4 | ABCD | CoHfRuTi | Hf1 Ti1 Co1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.42330062,
0,
0
],
[
2.21165031,
3.8306907,
0
],
[
2.21165031,
1.2768969,
3.61160983
]
] | agm001291434 | [
[
4.42330062,
2.5537938,
1.805804915
],
[
2.21165031,
1.2768969,
0.9029024575
],
[
6.63495093,
3.8306907,
2.7087073725
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ru",
"Ti",
"Hf",
"Co"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.5308356,
0,
0
],
[
0,
4.5308356,
0
],
[
0,
0,
4.5308356
]
] | -36.366029 | [
0.111,
-0.021,
-0.07,
0.867
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.811513 | 3.21686 | pbe | true | 707b0d01f22eba1cf8603137b7e4f709_216_Hf1Ti1Co1Ru1 |
[
"Co",
"Hg",
"I",
"O"
] | 5 | A2BCD | CoHgIO2 | Co1 Hg1 I1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.97652955,
0,
0
],
[
0,
3.97652955,
0
],
[
0,
0,
6.05398919
]
] | agm001745147 | [
[
0,
0,
3.026994595
],
[
0,
0,
0
],
[
1.988264775,
1.988264775,
3.026994595
],
[
0,
1.988264775,
0
],
[
1.988264775,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Co", "attached": ... | [
"I",
"Co",
"Hg",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.2903058,
0,
0
],
[
0,
0.2903058,
0
],
[
0,
0,
0.5968425
]
] | -16.738688 | [
0.047,
2.682,
0,
0.554,
0.554
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.098253 | 2.361796 | pbe | true | c07c9544302a7c62a9468e2d0429a117_123_Co1Hg1I1O2 |
[
"Co",
"Hf",
"Tl",
"Zn"
] | 5 | A2BCD | Co2HfTlZn | Hf1 Tl1 Zn1 Co2 | 4 | [
1,
1,
1
] | 3 | [
[
4.44704301,
0,
0
],
[
0,
4.89914059,
0
],
[
0,
0,
4.44704301
]
] | agm001467607 | [
[
0,
0,
2.223521505
],
[
2.223521505,
0,
0
],
[
2.223521505,
2.449570295,
2.223521505
],
[
0,
2.449570295,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Co", "attached"... | [
"Co",
"Co",
"Tl",
"Hf",
"Zn"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
3.5123963,
0,
0
],
[
0,
4.1290054,
0
],
[
0,
0,
3.5123963
]
] | -23.539667 | [
1.808,
1.614,
0.027,
0.098,
-0.04
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.537191 | 6.040463 | pbe | true | ebc61ff4956158ea5a1cb3b7c42310b9_123_Hf1Tl1Zn1Co2 |
[
"Co",
"Hg",
"Sc",
"Sn"
] | 5 | A2BCD | CoHgScSn2 | Sc1 Co1 Sn2 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
4.89946234,
0,
0
],
[
0,
4.80159851,
0
],
[
0,
0,
4.89946234
]
] | agm001436494 | [
[
0,
2.400799255,
0
],
[
0,
0,
0
],
[
2.44973117,
2.400799255,
2.44973117
],
[
0,
0,
2.44973117
],
[
2.44973117,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Co", "attached"... | [
"Sc",
"Co",
"Hg",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
3.4868114,
0,
0
],
[
0,
6.7432694,
0
],
[
0,
0,
3.4868114
]
] | -22.339568 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.891965 | pbe | true | 523cedca4d3ed5ee0884fd7cf7ebe126_123_Sc1Co1Sn2Hg1 |
[
"Co",
"I",
"N",
"O"
] | 5 | A2BCD | CoINO2 | Co1 I1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.9031679,
0,
0
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[
0,
3.9031679,
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[
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] | agm001746459 | [
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] | 3.244368 | 4.979861 | pbe | true | 43a85fb1ba09c59b52834db0fd345595_123_Co1I1N1O2 |
[
"Co",
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] | 5 | A2BCD | CoIn2PY | Y1 In2 Co1 P1 | 4 | [
1,
1,
1
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0
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[
0,
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "P", "attached":... | [
"Y",
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] | 1.696813 | 5.184194 | pbe | true | f420d957e98faff92f89b1503af6be4c_123_Y1In2Co1P1 |
[
"Co",
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] | 20 | A5B2C2D | Co2In2PtSc5 | Sc10 In4 Co4 Pt2 | 4 | [
1,
1,
1
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[
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0,
0
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[
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10.044055092... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached"... | [
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... | 0.000096 | 12.001194 | pbe | true | 89ce5b8662461734f5b16842205711e9_127_Sc10In4Co4Pt2 |
[
"Co",
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] | 16 | A4B2CD | CoK2NiS4 | K4 Co2 Ni2 S8 | 4 | [
1,
1,
1
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[
5.34519481,
0,
0
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[
2.67259741,
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2.6725974,
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[
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5.4902863... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": n... | [
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] | 2023-11-16 06:57:59 | [
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[
"Co",
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] | 14 | A4BCD | CoKO4Si | K2 Co2 Si2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
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[
0,
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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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-0.00184... | 7.992047 | -0.11131 | pbe | true | cde5e1bbcd873580b569b19339e4b297_11_K2Co2Si2O8 |
[
"Co",
"K",
"S",
"U"
] | 12 | A3BCD | CoKS3U | K2 U2 Co2 S6 | 4 | [
1,
1,
1
] | 3 | [
[
3.82320803,
0,
0
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[
0,
8.83813403,
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[
0,
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[
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[
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... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
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"Co",
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] | 2023-11-16 06:57:59 | [
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[
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0.... | 5.590953 | 12.011305 | pbe | true | a2b969c574290b300b3eb093afc5dc9b_11_K2U2Co2S6 |
[
"Co",
"La",
"Sm",
"Y"
] | 4 | ABCD | CoLaSmY | La1 Sm1 Y1 Co1 | 4 | [
1,
1,
1
] | 3 | [
[
3.5279868,
0.00074649,
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[
0.00010031,
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[
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] | agm005211431 | [
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2.122857681608104,
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sm", "attached"... | [
"La",
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[
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] | 0.00001 | 4.288066 | pbe | true | e3493fec4d4c2cbd9ece458c7f78343e_38_La1Sm1Y1Co1 |
[
"Co",
"La",
"S",
"Sr"
] | 5 | A2BCD | Co2LaSSr | Sr1 La1 Co2 S1 | 4 | [
1,
1,
1
] | 3 | [
[
4.42875765,
0,
0
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[
0,
4.42875765,
0
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[
0,
0,
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] | agm001426087 | [
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[
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[
0,
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[
2.214378825,
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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": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Co", "attached": ... | [
"Sr",
"S",
"Co",
"Co",
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] | 2023-11-16 06:57:59 | [
0.4,
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0.2
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[
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[
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] | -21.72082 | [
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[
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[
0,
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[
0,
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] | 0.367946 | 6.134304 | pbe | true | 0f18dc849c4b2963697218925fc45b3f_123_Sr1La1Co2S1 |
[
"Co",
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"Mn",
"O"
] | 24 | A12B7C3D2 | Co3Li7Mn2O12 | Li7 Mn2 Co3 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.04045271,
0.01763812,
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[
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] | agm005261925 | [
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[
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[
2.... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Li", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
-0.00058995,
-0.0034... | 15.999956 | -0.157064 | pbe | true | 6ce2a394af13e4f56efd1b706e37ddf4_2_Li7Mn2Co3O12 |
[
"Co",
"Li",
"Mn",
"O"
] | 28 | A7B4C2D | Co2Li4MnO7 | Li8 Mn2 Co4 O14 | 4 | [
1,
1,
1
] | 3 | [
[
4.98675127,
0.01484231,
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[
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[
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] | agm005224371 | [
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1.7500712012396347,
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0.5685655763751103
],
[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Li", "attached"... | [
"Li",
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.2857142857142857,
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[
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[
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] | -162.48251 | [
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[
0.00076569,
-0.0054... | 2.04462 | -0.216854 | pbe | true | 0e3c2ebde1ade264698c2f9a25dbeeee_1_Li8Mn2Co4O14 |
[
"Co",
"Li",
"N",
"Na"
] | 5 | A2BCD | Co2LiNNa | Na1 Li1 Co2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
3.68652749,
0,
0
],
[
0,
3.68652749,
0
],
[
0,
0,
4.34882422
]
] | agm001657797 | [
[
1.843263745,
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2.17441211
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[
0,
0,
2.17441211
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[
0,
1.843263745,
0
],
[
1.843263745,
0,
0
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[
0,
0,
0
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Li",
"Co",
"Co",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
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0
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[
0,
0.5741401,
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[
0,
0,
0.4782234
]
] | -25.788503 | [
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0.234,
0.234,
0.02
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[
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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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[
0,
0,
0
]
] | 0.453434 | 3.666882 | pbe | true | 22f39b89b8b20b837e56d2695bda07f1_123_Na1Li1Co2N1 |
[
"Co",
"Li",
"O",
"Sm"
] | 11 | A6B2C2D | CoLi2O6Sm2 | Li2 Sm2 Co1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.51409793,
0,
0
],
[
2.75704896,
4.77534889,
0
],
[
2.75704896,
1.59178296,
4.65528201
]
] | agm004571846 | [
[
5.5140951947820325,
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3.3604063807770403
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[
5.514100655217968,
3.183567501604627,
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[
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3.0543126039252613
],
[
2.757048989757477,
1.591782978104817,
1.6009694060747384
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[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": ... | [
"Li",
"Li",
"Sm",
"Sm",
"Co",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
0.18181818181818182,
0.5454545454545454,
0.18181818181818182
] | [
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0
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[
0,
0.71622974,
0
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[
0,
0,
0.75236857
]
] | -70.339137 | [
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0.003,
0.003,
0.827,
0.021,
0.021,
0.021,
0.021,
0.021,
0.021
] | [
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[
0,
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[
0,
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[
-0.00252855,
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[
0,
-0.00... | 1.000709 | 5.291891 | pbe | true | ae17ca72dd854fe32c351f283ad706b7_166_Li2Sm2Co1O6 |
[
"Co",
"Li",
"Pr",
"Tb"
] | 4 | ABCD | CoLiPrTb | Li1 Tb1 Pr1 Co1 | 4 | [
1,
1,
1
] | 3 | [
[
4.98039858,
0,
0
],
[
2.49019929,
4.31315169,
0
],
[
2.49019929,
1.43771723,
4.06647841
]
] | agm001382008 | [
[
4.98039858,
2.87543446,
2.033239205
],
[
2.49019929,
1.43771723,
1.0166196025
],
[
0,
0,
0
],
[
7.47059787,
4.31315169,
3.0498588075
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pr", "attached"... | [
"Pr",
"Co",
"Tb",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
0.8847885,
0,
0
],
[
0,
0.8847885,
0
],
[
0,
0,
0.8847885
]
] | -18.388351 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000022 | 3.535329 | pbe | true | 151a05feae4a3a39809addbd309a2bb8_216_Li1Tb1Pr1Co1 |
[
"Co",
"Mn",
"Pa",
"S"
] | 9 | A6BCD | CoMnPaS6 | Pa1 Mn1 Co1 S6 | 4 | [
1,
1,
1
] | 3 | [
[
5.81249967,
0,
0
],
[
0,
5.92066678,
0
],
[
0,
-2.96033339,
5.12744784
]
] | agm005101409 | [
[
0,
-2.9603334020494728e-8,
3.418298577091493
],
[
2.906249835,
0,
0
],
[
2.906249835,
2.960333419603334,
1.7091492629085072
],
[
4.18212856193801,
2.1176154614887035,
3.3782823846393026
],
[
4.18212856193801,
1.9361807132756819,
0.1447675... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pa", "attached"... | [
"Pa",
"Mn",
"Co",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.1111111111111111,
0.1111111111111111,
0.6666666666666666
] | [
[
0.3947502,
0,
0
],
[
0,
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0
],
[
0,
0,
-0.01829952
]
] | -56.809761 | [
0.169,
2.728,
0.021,
-0.014,
-0.014,
-0.014,
-0.014,
-0.014,
-0.014
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
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0.01220745,
0.01549065
],
[
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0.00282664
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[
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0.00731157,
-0.01831729
],
[
0.00899712,
-0.00731157,
-0.01831729
],
... | 3.031906 | -0.456583 | pbe | true | c62dad789f0791ebeb9b3c157ba58c93_149_Pa1Mn1Co1S6 |
[
"Co",
"Mn",
"Ta",
"Zn"
] | 4 | ABCD | CoMnTaZn | Ta1 Mn1 Zn1 Co1 | 4 | [
1,
1,
1
] | 3 | [
[
4.20758046,
0,
0
],
[
2.10379023,
3.64387157,
0
],
[
2.10379023,
1.21462386,
3.43547506
]
] | agm001368730 | [
[
0,
0,
0
],
[
2.10379023,
1.2146238575,
0.858868765
],
[
6.31137069,
3.6438715725,
2.576606295
],
[
4.20758046,
2.429247715,
1.71773753
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached"... | [
"Zn",
"Mn",
"Co",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.707374,
0,
0
],
[
0,
4.707374,
0
],
[
0,
0,
4.707374
]
] | -29.61527 | [
-0.006,
0.969,
0.141,
-0.177
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.914448 | 5.554623 | pbe | true | 33400e2b3b280dcfce8ae088ae4b36c3_216_Ta1Mn1Zn1Co1 |
[
"Co",
"Mn",
"Sr",
"V"
] | 5 | A2BCD | Co2MnSrV | Sr1 Mn1 V1 Co2 | 4 | [
1,
1,
1
] | 3 | [
[
4.3960941,
0,
0
],
[
0,
4.63823887,
0
],
[
0,
0,
4.3960941
]
] | agm001560614 | [
[
0,
0,
0
],
[
2.19804705,
2.319119435,
2.19804705
],
[
0,
0,
2.19804705
],
[
2.19804705,
0,
0
],
[
0,
2.319119435,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Mn",
"Co",
"Co",
"V"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
3.6635938,
0,
0
],
[
0,
2.953192,
0
],
[
0,
0,
3.6635938
]
] | -20.183693 | [
-0.016,
-0.091,
0.009,
0.014,
-0.136
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.241121 | 12.184243 | pbe | true | 33ec7b7d6fb633fa0b41ee66d47c5c3e_123_Sr1Mn1V1Co2 |
[
"Co",
"N",
"O",
"P"
] | 5 | A2BCD | CoNO2P | Co1 P1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.42521124,
0,
0
],
[
0,
3.42521124,
0
],
[
0,
0,
5.08325653
]
] | agm001754180 | [
[
0,
0,
2.541628265
],
[
0,
0,
0
],
[
0,
1.71260562,
0
],
[
1.71260562,
0,
0
],
[
1.71260562,
1.71260562,
2.541628265
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "N", "attached": n... | [
"P",
"Co",
"O",
"O",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
1.409659,
0,
0
],
[
0,
1.409659,
0
],
[
0,
0,
1.6487166
]
] | -24.834555 | [
-0.11,
1.632,
0.464,
0.464,
0.734
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.593677 | 2.421413 | pbe | true | 7d0588c7045bb60faef24089a7dfa1f5_123_Co1P1N1O2 |
[
"Co",
"N",
"Sb",
"Se"
] | 5 | A2BCD | CoNSbSe2 | Co1 Sb1 Se2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
5.35293306,
0,
0
],
[
0,
5.35293306,
0
],
[
0,
0,
3.87689037
]
] | agm001794794 | [
[
0,
0,
0
],
[
2.67646653,
2.67646653,
1.938445185
],
[
0,
2.67646653,
0
],
[
2.67646653,
0,
0
],
[
0,
0,
1.938445185
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
"Co",
"Se",
"Se",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.56273806,
0,
0
],
[
0,
0.56273806,
0
],
[
0,
0,
0.06160895
]
] | -20.481921 | [
-0.017,
2.347,
0.173,
0.173,
0.193
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.180916 | 4.517804 | pbe | true | 2b987386c061f6c0305de748bef22f65_123_Co1Sb1Se2N1 |
[
"Co",
"Nb",
"Tc",
"Tl"
] | 4 | ABCD | CoNbTcTl | Co1 Nb1 Tc1 Tl1 | 4 | [
1,
1,
1
] | 3 | [
[
0,
3.220657,
3.220657
],
[
3.220657,
0,
3.220657
],
[
3.220657,
3.220657,
0
]
] | oqmd-2477879 | [
[
4.830989999999997,
4.830989999999997,
4.830989999999997
],
[
1.6103299999999992,
1.6103299999999992,
1.6103299999999992
],
[
3.2206599999999983,
3.2206599999999983,
3.2206599999999983
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Tc", "attached"... | [
"Co",
"Nb",
"Tc",
"Tl"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.25,
0.25
] | [
[
14.0906,
0,
0
],
[
0,
14.0906,
0
],
[
0,
0,
14.0906
]
] | -27.7008 | [
1.582,
-0.222,
1.018,
-0.014
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.3628 | null | pbe | true | 72642de74083df8aa2613dd702598385_216_Nb1Tl1Co1Tc1 |
[
"Co",
"Na",
"Sn",
"V"
] | 5 | A2BCD | Co2NaSnV | Na1 V1 Co2 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
4.36150442,
0,
0
],
[
0,
5.1139808,
0
],
[
0,
0,
4.36150442
]
] | agm001485860 | [
[
2.18075221,
2.5569904,
2.18075221
],
[
0,
0,
2.18075221
],
[
2.18075221,
0,
0
],
[
0,
2.5569904,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Co",
"Co",
"Sn",
"V"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
3.9718096,
0,
0
],
[
0,
3.280378,
0
],
[
0,
0,
3.9718096
]
] | -24.60343 | [
-0.001,
0.727,
0.475,
0.007,
-0.213
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
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[
0,
0,
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[
0,
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0
]
] | 0.98535 | 5.481169 | pbe | true | 83610ed2981bea3d6342cfb0baecdf1d_123_Na1V1Co2Sn1 |
[
"Co",
"Ni",
"O",
"Pt"
] | 10 | A6B2CD | CoNi2O6Pt | Co1 Ni2 Pt1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
3.95067874,
0,
0
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[
0,
5.65785909,
0
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[
0,
0,
5.65785909
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] | agm004947818 | [
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[
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"Co",
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[
0.0... | 6.639286 | 1.868615 | pbe | true | 3ff3a2d0af32b83e6c72a357b3a9e55b_99_Co1Ni2Pt1O6 |
[
"Co",
"O",
"Pa",
"Sb"
] | 10 | A6B2CD | Co2O6PaSb | Pa1 Co2 Sb1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
6.05709479,
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[
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[
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"Pa",
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"O",
"O",
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"O",
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] | 2023-11-16 06:57:59 | [
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[
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[
"Co",
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"Th"
] | 12 | A6B3C2D | Co2PSe3Th6 | Th6 Co2 P1 Se3 | 4 | [
1,
1,
1
] | 3 | [
[
3.99257752,
0,
0
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[
0,
8.64321388,
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... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Se", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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... | -0.000063 | 8.759859 | pbe | true | a6a5489e23288f192de966d586922111_12_Th6Co2P1Se3 |
[
"Co",
"Pd",
"Pr",
"Tb"
] | 4 | ABCD | CoPdPrTb | Tb1 Pr1 Co1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.96773021,
0,
0
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[
2.48386511,
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0
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[
2.48386511,
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] | agm001396325 | [
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pr", "attached"... | [
"Pr",
"Co",
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] | 2023-11-16 06:57:59 | [
0.25,
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0,
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0,
0,
0
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] | 0.344422 | 3.127729 | pbe | true | c54c659e83ceea51098dd33e63a23bd9_216_Tb1Pr1Co1Pd1 |
[
"Co",
"Pd",
"Se",
"Te"
] | 5 | A2BCD | CoPd2SeTe | Co1 Te1 Pd2 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
4.78320121,
0,
0
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[
0,
4.59423103,
0
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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": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached"... | [
"Te",
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] | 2023-11-16 06:57:59 | [
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[
0,
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[
0,
0,
0
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] | 1.499243 | 4.343508 | pbe | true | 232005534ef2a0f5fded841630d63994_123_Co1Te1Pd2Se1 |
[
"Co",
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"Ti",
"V"
] | 20 | A5B2C2D | Co2Pd2Ti5V | Ti10 V2 Co4 Pd4 | 4 | [
1,
1,
1
] | 3 | [
[
3.13004329,
0,
0
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[
0,
9.82670282,
0
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[
0,
0,
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] | agm005131070 | [
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[
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[
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9.07... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ti", "attached"... | [
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"V",
"Co",
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"Co",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.5,
0.1
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[
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[
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] | -149.580251 | [
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[
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0.00182052,
... | -0.000676 | 23.054205 | pbe | true | 284d7b46169cb7271d4d16ab2511a104_127_Ti10V2Co4Pd4 |
[
"Co",
"Sb",
"W",
"Zn"
] | 5 | A2BCD | CoSbW2Zn | Zn1 Co1 Sb1 W2 | 4 | [
1,
1,
1
] | 3 | [
[
4.94738474,
0,
0
],
[
0,
4.75930449,
0
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[
0,
0,
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] | agm001567625 | [
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[
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[
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] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sb", "attached": ... | [
"Sb",
"Zn",
"Co",
"W",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
0.2
] | [
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[
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[
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] | -25.913155 | [
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[
0,
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[
0,
0,
0
]
] | 3.090304 | 5.353564 | pbe | true | 892b98d088728693aeed03dcec39e3c9_123_Zn1Co1Sb1W2 |
[
"Cr",
"Cs",
"F",
"Sm"
] | 18 | A6BCD | CrCsF6Sm | Cs2 Sm2 Cr2 F12 | 4 | [
1,
1,
1
] | 3 | [
[
8.45377317,
0,
0
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[
0,
7.76878407,
0
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[
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] | agm005072669 | [
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[
4.226886585,
3.88... | [{"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": "Sm", "attached": ... | [
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"F",
"F",
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] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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[
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[
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[
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[
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0.00350... | 8.000001 | 0 | pbe | true | cbdf8b8c64bda1f9acdc33425a0a4b48_74_Cs2Sm2Cr2F12 |
[
"Cr",
"Cu",
"Mg",
"Se"
] | 9 | A4B3CD | CrCu3MgSe4 | Mg1 Cr1 Cu3 Se4 | 4 | [
1,
1,
1
] | 3 | [
[
5.77274834,
0,
0
],
[
0,
5.77274834,
0
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[
0,
0,
5.77274834
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] | agm005504908 | [
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[
0,
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[
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[
4.372554895084335,
4.372554... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Mg", "attached"... | [
"Mg",
"Cr",
"Cu",
"Cu",
"Cu",
"Se",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
0.1111111111111111,
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0,
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[
0,
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] | -40.74439 | [
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] | [
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[
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[
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0.00156225
],
... | 2.99995 | 3.812966 | pbe | true | bac0aac86ca97cd25d98d16de9315449_215_Mg1Cr1Cu3Se4 |
[
"Cr",
"Dy",
"N",
"Sr"
] | 16 | A4B2CD | CrDyN4Sr2 | Sr4 Dy2 Cr2 N8 | 4 | [
1,
1,
1
] | 3 | [
[
5.53108853,
0,
0
],
[
0,
6.9693842,
0
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[
0,
0,
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] | agm004853342 | [
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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": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Sr", "attached"... | [
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"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.5,
0.25
] | [
[
0.6283552,
0,
0
],
[
0,
0.48884973,
0
],
[
0,
0,
0.60534614
]
] | -115.637084 | [
0.025,
0.025,
0.025,
0.025,
0.087,
0.087,
0.763,
0.763,
-0.023,
-0.023,
-0.028,
-0.028,
-0.03,
-0.03,
-0.03,
-0.03
] | [
[
0.00004948,
-0.00024841,
-0.00086661
],
[
0.00004948,
-0.00024841,
0.00086661
],
[
0.00004948,
0.00024841,
-0.00086661
],
[
0.00004948,
0.00024841,
0.00086661
],
[
0.00053605,
0.00061537,
0
],
[
0.00053605,
-0.00061537,
0
... | 1.995147 | 6.427723 | pbe | true | c8279423a2c73a5031afbc030d7de5cc_31_Sr4Dy2Cr2N8 |
[
"Cr",
"F",
"Pu",
"Rb"
] | 20 | A6B2CD | CrF6PuRb2 | Rb4 Pu2 Cr2 F12 | 4 | [
1,
1,
1
] | 3 | [
[
6.5766534,
0,
0
],
[
0,
6.73902479,
0
],
[
0,
0,
8.85478647
]
] | agm004937954 | [
[
3.2883267,
5.301725784959544,
2.1143411317219063
],
[
0,
1.4372990050404564,
6.541734366721907
],
[
3.2883267,
5.301725784959544,
6.740445338278094
],
[
0,
1.4372990050404564,
2.313052103278094
],
[
0,
4.829147762926415,
4.427393235
],
... | [{"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": "Rb", "attached": ... | [
"Rb",
"Rb",
"Rb",
"Rb",
"Pu",
"Pu",
"Cr",
"Cr",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
1.6333771,
0,
0
],
[
0,
1.588956,
0
],
[
0,
0,
1.3959429
]
] | -125.509033 | [
0,
0,
0,
0,
-5.361,
-5.361,
4.184,
4.184,
0,
0,
0,
0,
0.014,
0.014,
0.016,
0.016,
0.016,
0.016,
0.014,
0.014
] | [
[
0,
0.00071448,
0.00137061
],
[
0,
-0.00071448,
0.00137061
],
[
0,
0.00071448,
-0.00137061
],
[
0,
-0.00071448,
-0.00137061
],
[
0,
-0.00247049,
0
],
[
0,
0.00247049,
0
],
[
0,
0.00201709,
0
],
[
0,
... | -1.916648 | 23.028767 | pbe | true | 5f3a1903d0e7bcc2ac095b4e0162eb94_59_Rb4Pu2Cr2F12 |