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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Cu",
"Pd",
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1,
1,
1
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0
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[
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5.73... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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"Pd",
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... | 0 | 5.298226 | pbe | true | 09a71405e3e95d0dd9a5043498250c93_11_Zn6Cu2Pd12 |
[
"Cu",
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1,
1,
1
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0.6198848806015815... | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
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[
0,
0,
0
]
] | 0 | 4.662656 | pbe | true | fe4084d268388bb4b4bac88ec73e3045_139_Pm1Cu4Pt2 |
[
"Cu",
"Pm",
"Sm"
] | 3 | ABC | CuPmSm | Pm1 Sm1 Cu1 | 3 | [
1,
1,
1
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[
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"Cu",
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] | -0.000004 | 2.778543 | pbe | true | 4e00be16030f697d54f2b67ebd2bbb7c_156_Pm1Sm1Cu1 |
[
"Cu",
"Pm",
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] | 6 | A3B2C | Cu3PmTb2 | Tb2 Pm1 Cu3 | 3 | [
1,
1,
1
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0
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[
0,
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] | agm003437400 | [
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
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] | 0.000001 | 2.855693 | pbe | true | fba81a09efa3ea024cb2eabe29349f74_123_Tb2Pm1Cu3 |
[
"Cu",
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] | 12 | A3B2C | CuPm3Tl2 | Pm6 Tl4 Cu2 | 3 | [
1,
1,
1
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[
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0
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[
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"Tl",
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] | 2023-11-16 06:57:59 | [
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[
-0.... | -0.000005 | 8.665004 | pbe | true | 830e27e4d5a6e0fbe58c14e4b38ee688_15_Pm6Tl4Cu2 |
[
"Cu",
"Pm",
"Y"
] | 6 | A3B2C | Cu3Pm2Y | Pm2 Y1 Cu3 | 3 | [
1,
1,
1
] | 3 | [
[
5.0121135,
0,
0
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-2.50605675,
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0,
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] | agm005709213 | [
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[
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"Pm",
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] | 0 | 3.516393 | pbe | true | 89ca06a3c771bf9de114fa140eb41c3b_164_Pm2Y1Cu3 |
[
"Cu",
"Pr",
"Se"
] | 14 | A8B5C | CuPr5Se8 | Pr5 Cu1 Se8 | 3 | [
1,
1,
1
] | 3 | [
[
7.75502897,
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[
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] | agm003214811 | [
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[
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"Se",
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] | 2023-11-16 06:57:59 | [
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[
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0.00047... | 0 | -0.049625 | pbe | true | 62fc1587e7288233af94094746630854_82_Pr5Cu1Se8 |
[
"Cu",
"Pr",
"Si"
] | 14 | A3B3C | Cu3Pr3Si | Pr6 Cu6 Si2 | 3 | [
1,
1,
1
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[
4.19132688,
0,
0.63136277
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2.07348717,
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] | agm005929188 | [
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[
... | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
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] | 2023-11-16 06:57:59 | [
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0.002... | -0 | 11.464526 | pbe | true | c8839c61e2c13dda48ec8aa63d6dc168_12_Pr6Cu6Si2 |
[
"Cu",
"Pt",
"Rb"
] | 5 | A3BC | CuPt3Rb | Rb1 Cu1 Pt3 | 3 | [
1,
1,
1
] | 3 | [
[
4.78120528,
0,
0
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[
0,
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] | agm002464281 | [
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] | [{"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Cu",
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] | 2023-11-16 06:57:59 | [
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] | 0 | 3.841525 | pbe | true | 0e58c664d87cb8fa232841e0fc84b02c_221_Rb1Cu1Pt3 |
[
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"Pt",
"Rh"
] | 12 | A9B2C | CuPt9Rh2 | Cu1 Pt9 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.92508724,
0,
0
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[
0,
3.92508724,
0
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[
0,
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] | agm005838352 | [
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[
1.96... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
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"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
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] | -73.830505 | [
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[
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[
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[
0,... | 0.000237 | 19.080654 | pbe | true | 33091d4269cb3bac73991acfdf3c9b08_123_Cu1Pt9Rh2 |
[
"Cu",
"Pt",
"Sr"
] | 3 | ABC | CuPtSr | Sr1 Cu1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.73238098,
0,
0
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[
2.36619049,
4.09836215,
0
],
[
2.36619049,
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] | agm003906072 | [
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[
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[
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] | [{"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Cu",
"Pt",
"Sr"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | -12.275472 | [
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[
0,
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[
0,
0,
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]
] | -0.000019 | 2.88718 | pbe | true | 315a27155ab23b2dfb655e0198313c68_216_Sr1Cu1Pt1 |
[
"Cu",
"Pt",
"Th"
] | 4 | A2BC | CuPtTh2 | Th2 Cu1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
3.69896305,
0,
0
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[
0,
5.03701549,
0
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[
0,
0,
5.03701549
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] | agm001203696 | [
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[
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[
0,
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[
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] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Cu",
"Pt",
"Th",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
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[
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0,
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[
0,
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0
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[
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0,
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] | -27.140183 | [
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[
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[
0,
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[
0,
0,
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] | -0.000006 | 3.396629 | pbe | true | 30f8db42ef9a5df7f93200ff4f8e3b2f_123_Th2Cu1Pt1 |
[
"Cu",
"Ru",
"Sb"
] | 3 | ABC | CuRuSb | Cu1 Sb1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
4.26871157,
0,
0
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[
2.13435579,
3.69681266,
0
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[
2.13435579,
1.23227089,
3.4853884
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] | agm003815664 | [
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[
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[
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
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"Sb"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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] | -16.76428 | [
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0,
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[
0,
0,
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[
0,
0,
0
]
] | -0.00002 | 1.289172 | pbe | true | abcfe68d916fd9544b1e3650e73344a1_216_Cu1Sb1Ru1 |
[
"Cu",
"Pt",
"Y"
] | 10 | A2B2C | CuPt2Y2 | Y4 Cu2 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
7.47200481,
0,
0
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[
0,
7.47200481,
0
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[
0,
0,
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] | agm002974764 | [
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... | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
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"Y",
"Y",
"Cu",
"Cu",
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] | 2023-11-16 06:57:59 | [
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[
0,
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[
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] | -67.156886 | [
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[
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[
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[
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0
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[
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... | 0 | 5.949011 | pbe | true | e4a316da273425078f56e888c1f758c0_127_Y4Cu2Pt4 |
[
"Cu",
"Pt",
"Zn"
] | 4 | A2BC | Cu2PtZn | Zn1 Cu2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
3.64499514,
0,
0
],
[
0,
2.76168721,
0.01494085
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[
0,
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] | agm003164859 | [
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[
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] | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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] | 2023-11-16 06:57:59 | [
0.5,
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[
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] | -16.495673 | [
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[
0,
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[
0,
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]
] | 0 | 1.110184 | pbe | true | d3d63fe8e556732684d19b1dadd62ab6_25_Zn1Cu2Pt1 |
[
"Cu",
"Pt",
"Zn"
] | 4 | A2BC | CuPt2Zn | Zn1 Cu1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
4.5744,
0.00502209,
0.00053587
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[
3.71350819,
2.67114535,
0.00053587
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[
0.86757369,
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] | agm003164881 | [
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[
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[
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] | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
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] | 2023-11-16 06:57:59 | [
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[
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] | -18.689636 | [
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[
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[
0.00124292,
0.00040134,
-0.00025513
]
] | 0 | 2.432988 | pbe | true | b00eeb016ac1db92a928b4c5baea9a52_12_Zn1Cu1Pt2 |
[
"Cu",
"Pt",
"Zn"
] | 12 | A7B4C | Cu4PtZn7 | Zn7 Cu4 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.65525774,
0,
0
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[
2.32762886,
6.89433016,
1.17854689
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[
2.32762887,
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] | agm003664810 | [
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[
... | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
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"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Cu",
"Cu",
"Cu",
"Cu",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
0,
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] | -31.194501 | [
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] | [
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[
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[
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[
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[
0,
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[
0,
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... | 0 | 3.497927 | pbe | true | 436373912c5d22d95dfaec395aa8763a_12_Zn7Cu4Pt1 |
[
"Cu",
"Pt",
"Zn"
] | 18 | A5B2C2 | Cu2Pt2Zn5 | Zn10 Cu4 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
6.39664452,
0,
0
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[
0,
6.43411116,
0
],
[
0,
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] | agm003313228 | [
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[
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[
... | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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"Zn",
"Cu",
"Cu",
"Cu",
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"Pt",
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] | 2023-11-16 06:57:59 | [
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[
0,
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[
0,
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] | -55.992001 | [
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[
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[
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[
-0.00130187,
0.0... | 0 | 4.328469 | pbe | true | 549f3b57807853c37f0cda32d4cc95fb_64_Zn10Cu4Pt4 |
[
"Cu",
"Re",
"Sb"
] | 4 | A2BC | Cu2ReSb | Cu2 Re1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
2.83512773,
0.05450946,
0
],
[
-0.05458229,
2.83512633,
0
],
[
0,
0,
8.19659123
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] | agm004414020 | [
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[
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[
1.39027272,
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
"Cu",
"Re",
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] | 2023-11-16 06:57:59 | [
0.5,
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0.25
] | [
[
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[
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[
0,
0,
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] | -22.622897 | [
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[
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0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000005 | 2.724535 | pbe | true | d59c62ac98ad3a722b824b0e33407817_123_Cu2Re1Sb1 |
[
"Cu",
"Re",
"Zn"
] | 4 | A2BC | Cu2ReZn | Zn1 Cu2 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
2.60330362,
0,
0
],
[
0,
3.81669626,
0
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[
0,
0,
5.35852729
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] | agm004338702 | [
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[
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4.0188954675
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] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Cu",
"Cu",
"Re",
"Zn"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-4.800728,
0,
0
],
[
0,
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0
],
[
0,
0,
-5.2216535
]
] | -20.899743 | [
0,
0,
0,
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] | [
[
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[
0,
0,
0.00553259
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[
0,
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0
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[
0,
0,
0
]
] | -0 | 2.736988 | pbe | true | cd0b7c50b5fc18423ffd11123f8b0057_47_Zn1Cu2Re1 |
[
"Cu",
"Rh",
"Si"
] | 4 | A2BC | Cu2RhSi | Cu2 Si1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
2.678933,
-0.01376892,
0
],
[
-1.29360436,
2.3459453,
0
],
[
0,
0,
8.47943087
]
] | agm004248242 | [
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0,
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[
0,
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4.328238488630774
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[
0.6926643199999999,
1.16608819,
2.1198577175
],
[
0.6926643199999999,
1.16608819,
6.359573152499999
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Cu",
"Cu",
"Rh",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0
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[
0.44971967,
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],
[
0,
0,
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] | -20.387807 | [
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[
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[
0,
0,
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[
0,
0,
0
]
] | 0.232906 | 3.882466 | pbe | true | e7574d7bd9c6ae2641cb8ef0f7f422c1_65_Cu2Si1Rh1 |
[
"Cu",
"Rh",
"Tm"
] | 4 | A2BC | CuRh2Tm | Tm1 Cu1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
4.48980739,
0,
0
],
[
2.24490369,
3.88828725,
0
],
[
2.24490369,
1.29609575,
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]
] | agm001089983 | [
[
0,
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[
2.2449036925000003,
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[
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],
[
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] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Tm",
"Rh",
"Rh",
"Cu"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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0,
0
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[
0,
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0
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[
0,
0,
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]
] | -25.139929 | [
0,
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] | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.00005 | 2.155056 | pbe | true | 5cbfb72d33dbb70755f5dfc44d2cdfde_225_Tm1Cu1Rh2 |
[
"Cu",
"Rh",
"Zn"
] | 4 | A2BC | Cu2RhZn | Zn1 Cu2 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.40633506,
-0.17145801,
-0.08192601
],
[
1.14174716,
4.25929591,
0.08192619
],
[
-2.7246947,
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2.75174235
]
] | agm003178092 | [
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0.595081578305853,
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[
0.0492161410294738,
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[
2.2283422816326883,
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]... | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Rh",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
0.31566104,
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],
[
-0.09316195,
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] | -17.412547 | [
0,
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[
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0
],
[
-0.00290544,
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0
]
] | 0 | 1.572775 | pbe | true | 28d1353ea7fae92e60d0a5ad906ebbde_119_Zn1Cu2Rh1 |
[
"Cu",
"Ru",
"Tb"
] | 4 | A2BC | CuRuTb2 | Tb2 Cu1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
3.42955247,
0,
0
],
[
0,
3.42955247,
0
],
[
0,
0,
7.03232429
]
] | agm001121087 | [
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0
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[
0,
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[
0,
0,
1.6849752795249329
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[
1.714776235,
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Ru",
"Tb",
"Tb",
"Cu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0,
0
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[
0,
-1.185011,
0
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[
0,
0,
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]
] | -23.944066 | [
0,
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0,
0
] | [
[
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[
0,
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],
[
0,
0,
0.00162882
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[
0,
0,
0
]
] | -0.000008 | 2.890774 | pbe | true | 3946e758538adb2a06e90648acaf2114_123_Tb2Cu1Ru1 |
[
"Cu",
"S",
"Sn"
] | 14 | A3B3C | Cu3S3Sn | Cu6 Sn2 S6 | 3 | [
1,
1,
1
] | 3 | [
[
7.72056041,
0,
0
],
[
3.1e-7,
7.65491813,
0
],
[
0,
0,
17.91641592
]
] | agm2000093741 | [
[
2.4045999341785023,
6.929566487747463,
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[
5.315960959866991,
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[
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
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"Cu",
"Cu",
"Cu",
"Cu",
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"Sn",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.42857142857142855,
0.42857142857142855,
0.14285714285714285
] | [
[
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[
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],
[
0,
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]
] | -58.775387 | [
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0,
0,
0,
0,
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0,
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0,
0
] | [
[
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[
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[
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[
0,
-0.00218082,
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[
0,
-0.00218082,
-0.02669307... | -0.000001 | 11.840919 | pbe | true | 9725bcbe4bbe3543201d153e868b145d_8_Cu6Sn2S6 |
[
"Cu",
"Sb",
"Zr"
] | 4 | A2BC | Cu2SbZr | Zr1 Cu2 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.08666181,
-0.01186336,
-0.00331218
],
[
1.77996698,
4.76507993,
0.00331218
],
[
-3.43121365,
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2.90685092
]
] | agm004308741 | [
[
3.434899250179007,
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2.90685092
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[
3.4338302848209925,
2.376965394160904,
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[
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1.45176937
],
[
0.8910338625,
2.3810230474999994,
1.45508155
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
"Cu",
"Sb",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0.10382345,
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],
[
0.10382345,
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0.00727259
],
[
-0.005035,
0.00727233,
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]
] | -21.283462 | [
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0,
0,
0
] | [
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[
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0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 1.710944 | pbe | true | 84331464b39b7c6be0be421e4bd750b8_139_Zr1Cu2Sb1 |
[
"Cu",
"Sc",
"Se"
] | 16 | A4B3C | CuSc4Se3 | Sc8 Cu2 Se6 | 3 | [
1,
1,
1
] | 3 | [
[
6.57664648,
0.01905351,
0
],
[
-2.2880965,
6.38895474,
0
],
[
0,
0,
7.7054363
]
] | agm006082512 | [
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5.9787170616190775,
1.5501654099184135,
4.9039112613864
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[
2.7374338866254426,
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2.801525038613599
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[
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1.5645422475146205,
0.9535607643123469
],
... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
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"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.375
] | [
[
-1.0865746,
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[
0.01569388,
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0
],
[
0,
0,
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] | -99.540015 | [
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0,
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0,
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[
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[
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[
0.00187167,
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[
-0.00023158,
-0.0015... | -0.000024 | 10.186673 | pbe | true | 2bc6aa7ba1fee0cf175a2d634460659b_13_Sc8Cu2Se6 |
[
"Cu",
"Sc",
"Te"
] | 4 | A2BC | CuScTe2 | Sc1 Cu1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
6.69556821,
0.01072958,
-0.03325354
],
[
5.59311897,
3.6807294,
-0.03325354
],
[
0.01760452,
0.00528831,
3.87415494
]
] | agm003178127 | [
[
3.7619618917225335,
1.1300741736833408,
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[
12.037106143675937,
3.6158853195152214,
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[
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2.6355158578264177,
2.372383664292941
],
[
6.175552873566407,
1.8551046008896097,
2.3893195092642205
]
] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Te",
"Te",
"Cu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
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],
[
0.08119698,
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]
] | -19.49568 | [
0,
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0,
0
] | [
[
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[
0.00014701,
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[
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0.00154844
],
[
0.00207324,
0.00062279,
-0.0005835
]
] | -0.000005 | 1.176979 | pbe | true | e77b3d258850793ed5b677030385625d_38_Sc1Cu1Te2 |
[
"Cu",
"Sc",
"Ti"
] | 4 | A2BC | Cu2ScTi | Sc1 Ti1 Cu2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.17321268,
3.17321268
],
[
3.17321268,
0,
3.17321268
],
[
3.17321268,
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]
] | agm002735134 | [
[
0,
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[
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[
4.75981902,
4.75981902,
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],
[
3.17321268,
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3.17321268
]
] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Sc",
"Cu",
"Cu",
"Ti"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
],
[
0,
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0
],
[
0,
0,
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]
] | -22.870273 | [
0.124,
0.038,
0.038,
0.654
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.071006 | 9.184671 | pbe | true | f9b21a2e7ff87d9bd80cada6a24ecb2f_225_Sc1Ti1Cu2 |
[
"Cu",
"Sc",
"Ti"
] | 6 | ABC | CuScTi | Sc2 Ti2 Cu2 | 3 | [
1,
1,
1
] | 3 | [
[
4.1011254,
0,
0
],
[
0,
4.1011254,
0
],
[
0,
0,
6.48697835
]
] | agm003142774 | [
[
0,
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[
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3.243489175
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[
0,
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[
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[
0,
2.0505627,
0.8340020691454094
],
[
2.0505627,
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5.652976280854591
]
] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Sc",
"Sc",
"Cu",
"Cu",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0.3333333333333333
] | [
[
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[
0,
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],
[
0,
0,
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[
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1,
1
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0.000234... | 2.887257 | 15.915983 | pbe | true | 05afa47e4372ad1f8b2cb6aef8bf4b8b_12_Sc8Tl1Cu2 |
[
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1
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... | 0 | 8.626073 | pbe | true | 58ab87a06922768d3cc1d5d26624960e_189_Sc3Zn3Cu3 |
[
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1
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[
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1,
1
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0.00276... | 0 | 2.517143 | pbe | true | 6e42cc7e9d140a742271c959d075b669_26_Tb2Cu2Se4 |
[
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1,
1
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[
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1
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[
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1,
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[
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0.000... | 0 | 3.559758 | pbe | true | e2b8482db652059086a3e10ac2d2a473_127_Ti2Si4Cu4 |
[
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[
0,
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[
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1
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[
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] | 0 | 3.534763 | pbe | true | 0f1a8a218cec3dbe2ab0f3e8d33887a9_71_Tb2Cu2Sn1 |
[
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1,
1,
1
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... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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... | -0 | 3.656346 | pbe | true | 44ee17e0579be7b4e81fbac1c53fc269_187_Zn1Cu6Sn1 |
[
"Cu",
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] | 4 | A2BC | CuSr2Zn | Sr2 Zn1 Cu1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
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3.8514358
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[
3.8514358,
0,
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[
3.8514358,
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] | agm002669348 | [
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] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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[
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[
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] | 0 | 4.130542 | pbe | true | 7fc70f369dcab9a60ebe61b3a8a52ca4_225_Sr2Zn1Cu1 |
[
"Cu",
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] | 4 | A2BC | CuSrZn2 | Sr1 Zn2 Cu1 | 3 | [
1,
1,
1
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] | agm003935325 | [
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[
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[
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] | 0 | 1.809147 | pbe | true | a879cb7756efdf8393d4eef0a7b939c3_12_Sr1Zn2Cu1 |
[
"Cu",
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] | 19 | A12B5C2 | Cu12Tb2Zn5 | Tb2 Zn5 Cu12 | 3 | [
1,
1,
1
] | 3 | [
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0.13661235,
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] | agm005677908 | [
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[
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0.3... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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... | 0.000036 | 10.733646 | pbe | true | aee7921352b114644e6c7c9b6d63d3d4_166_Tb2Zn5Cu12 |
[
"Cu",
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] | 19 | A12B6C | Cu12TbZn6 | Tb1 Zn6 Cu12 | 3 | [
1,
1,
1
] | 3 | [
[
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0.06428345,
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[
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... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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] | 2023-11-16 06:57:59 | [
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[... | 0 | 6.261882 | pbe | true | 5f73e9db254253f2d7102f62d4ac83ba_166_Tb1Zn6Cu12 |
[
"Cu",
"Te",
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] | 5 | A3BC | Cu3TeTi | Ti1 Cu3 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
4.76099611,
0,
0
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[
0,
4.76099611,
0
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[
0,
0,
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] | [{"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Te",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -18.130003 | [
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[
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[
0,
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] | -0.000156 | 4.627183 | pbe | true | 85d7b2e7323e320526ffbf0ba121999f_221_Ti1Cu3Te1 |
[
"Cu",
"Te",
"Zr"
] | 4 | A2BC | CuTeZr2 | Zr2 Cu1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
3.96224264,
0,
0
],
[
0,
3.78179957,
-0.00125779
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[
0,
1.89746896,
5.43848232
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] | agm004107121 | [
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
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] | 2023-11-16 06:57:59 | [
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[
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[
0,
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] | -26.106956 | [
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[
0,
0.00740264,
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[
0,
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]
] | 0.000009 | 2.515251 | pbe | true | 4ef64b56671601815c77b65efff4f99d_6_Zr2Cu1Te1 |
[
"Cu",
"Ti",
"Zr"
] | 5 | A2B2C | Cu2Ti2Zr | Zr1 Ti2 Cu2 | 3 | [
1,
1,
1
] | 3 | [
[
3.84291139,
0,
0
],
[
0,
3.84291139,
0
],
[
1.9214557,
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] | agm002948450 | [
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Cu",
"Cu",
"Zr",
"Ti",
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] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
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0,
0
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[
0,
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0
],
[
0,
0,
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]
] | -31.499876 | [
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0.304,
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[
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[
0,
0,
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[
0,
0,
0.00382469
]
] | 0.722065 | 6.118683 | pbe | true | 6d9591fe30921521e570defa9e288332_139_Zr1Ti2Cu2 |
[
"Cu",
"Tl",
"W"
] | 4 | A2BC | Cu2TlW | Tl1 Cu2 W1 | 3 | [
1,
1,
1
] | 3 | [
[
4.20239591,
0,
0
],
[
0,
2.82840298,
0.02648739
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[
0,
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] | agm004296885 | [
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[
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
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] | 2023-11-16 06:57:59 | [
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[
0,
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[
0,
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] | -20.914427 | [
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[
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[
0,
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]
] | -0.000048 | 3.296281 | pbe | true | ea14c3a84a3a9d5dca38f3a3b6f9be16_6_Tl1Cu2W1 |
[
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[
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[
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[
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1,
1,
1
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[
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1
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[
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1,
1,
1
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0.0012... | 0.00368 | 17.96406 | pbe | true | 305c6eec47ea6fc0b90ce302179d44e6_12_Nd2Dy6Er3 |
[
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1,
1
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[
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1,
1,
1
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] | 0.000021 | 3.495953 | pbe | true | df237536d766adb54d4fb63dcc34be58_123_Dy2Er1Rh3 |
[
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1
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[
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"Pa",
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"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
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0.25
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[
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] | -22.042142 | [
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[
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[
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]
] | -0.002941 | 8.174672 | pbe | true | 0cb6b50110e79d91e377e918c6f6c3fe_123_Dy2Lu1Pa1 |
[
"Dy",
"Er",
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] | 20 | A15B4C | Dy4ErTb15 | Tb15 Dy4 Er1 | 3 | [
1,
1,
1
] | 3 | [
[
5.01816755,
0,
0
],
[
0,
5.01816755,
0
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[
0,
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25.08235027
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0.0168... | 0.000006 | 26.36027 | pbe | true | fd076c2450cfa0c0d33b2a4bcd547869_123_Tb15Dy4Er1 |
[
"Dy",
"Er",
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] | 18 | A4B4C | DyEr4Zn4 | Dy2 Er8 Zn8 | 3 | [
1,
1,
1
] | 3 | [
[
5.86763554,
0,
0
],
[
0,
8.95083346,
-1e-8
],
[
0,
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] | agm003593829 | [
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0.804409785064502... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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0.00... | -0.000018 | 25.042315 | pbe | true | af875538c15d348a48adfd18e9afd51c_86_Dy2Er8Zn8 |
[
"Dy",
"F",
"S"
] | 6 | ABC | DyFS | Dy2 S2 F2 | 3 | [
1,
1,
1
] | 3 | [
[
3.82210541,
0,
0
],
[
2.6e-7,
6.62208336,
0
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[
0,
0,
17.46138923
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] | agm2000088662 | [
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... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}] | [
"Dy",
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] | 2023-11-16 06:57:59 | [
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[
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[
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]
] | -0 | 0 | pbe | true | 94c5030beea774ec0c4ca64d90380052_156_Dy2S2F2 |
[
"Dy",
"Fe",
"I"
] | 6 | ABC | DyFeI | Dy2 Fe2 I2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
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[
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] | agm002212225 | [
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[
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12.401081958325635... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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] | 2.200882 | 2.528671 | pbe | true | aadb07082f01fad16183abcb7e1c98d2_164_Dy2Fe2I2 |
[
"Dy",
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] | 5 | A2B2C | DyFe2P2 | Dy1 Fe2 P2 | 3 | [
1,
1,
1
] | 3 | [
[
3.82152929,
0,
0
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[
0,
3.82152929,
0
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[
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] | agm002177749 | [
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[... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
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"Fe",
"Fe",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -37.389997 | [
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[
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[
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[
0,
0,
0
]
] | 0 | 2.585321 | pbe | true | b7abb59b43a613f8efc832ba020441e2_139_Dy1Fe2P2 |
[
"Dy",
"Fe",
"Ru"
] | 8 | A2BC | DyFe2Ru | Dy2 Fe4 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
4.23829296,
-0.23720516,
0
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[
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0
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[
0,
0,
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] | agm002336673 | [
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[
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[
0.198... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}] | [
"Ru",
"Ru",
"Fe",
"Fe",
"Fe",
"Fe",
"Dy",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.25
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0
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[
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[
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] | -61.271067 | [
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2.4,
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2.395,
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... | 10.119094 | 8.618406 | pbe | true | f0cf6311df2643e39e07d25c7a23ef5a_63_Dy2Fe4Ru2 |
[
"Dy",
"Ga",
"Mn"
] | 11 | A8B2C | DyGa8Mn2 | Dy1 Mn2 Ga8 | 3 | [
1,
1,
1
] | 3 | [
[
4.69242256,
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-0.08415998
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[
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[
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] | agm003535752 | [
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[
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[
2.857873462195939,
2.475392... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Dy",
"Mn",
"Mn",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
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] | 2023-11-16 06:57:59 | [
0.09090909090909091,
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] | [
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[
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[
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] | -48.576447 | [
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[
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[
0,
0.... | 2.355066 | 5.550798 | pbe | true | 5c25bc77d124bec8771c10499ab73877_12_Dy1Mn2Ga8 |
[
"Dy",
"Ga",
"Sc"
] | 6 | A4BC | DyGa4Sc | Dy1 Sc1 Ga4 | 3 | [
1,
1,
1
] | 3 | [
[
4.35065249,
0,
0
],
[
2.17532624,
5.04991694,
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[
2.17532624,
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] | agm003739979 | [
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[
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[
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[
6.525976552306856,
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4.... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Dy",
"Sc",
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"Ga",
"Ga",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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[
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[
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] | -26.48761 | [
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[
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[
0,
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0.00162023
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[
0,
0.00140068,
-0.00096009
]
] | 0 | 2.754328 | pbe | true | db12356ba28601ae8e36fa8d5db80fd6_71_Dy1Sc1Ga4 |
[
"Dy",
"Ga",
"Y"
] | 7 | A4B2C | DyGa2Y4 | Dy1 Y4 Ga2 | 3 | [
1,
1,
1
] | 3 | [
[
4.9393167,
0,
0
],
[
2.46965835,
4.27757374,
0
],
[
2.46965834,
1.42585791,
9.97629536
]
] | agm003464044 | [
[
4.9393166950000005,
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4.98814768
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[
7.408972571407544,
4.277572311164052,
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],
[
2.4696608185924553,
1.4258593388359484,
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[
2.... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Dy",
"Y",
"Y",
"Y",
"Y",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
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[
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[
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] | -37.374577 | [
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] | 0.002191 | 8.817713 | pbe | true | 1f787e2d8f5218894df07d159c537a9f_166_Dy1Y4Ga2 |
[
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"H"
] | 3 | ABC | DyGeH | Dy1 Ge1 H1 | 3 | [
1,
1,
1
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[
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0,
0
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[
0,
3.57999297,
0
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[
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] | agm001258434 | [
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"H",
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] | 2023-11-16 06:57:59 | [
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] | 0.000001 | 0.624266 | pbe | true | f1935cdba880ff4d2a0a413dec2fd4e0_187_Dy1Ge1H1 |
[
"Dy",
"Ge",
"Ir"
] | 6 | A3B2C | DyGe2Ir3 | Dy1 Ge2 Ir3 | 3 | [
1,
1,
1
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[
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0,
0
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[
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[
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0... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ge",
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"Ir",
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] | 2023-11-16 06:57:59 | [
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] | -0.00001 | 1.821791 | pbe | true | 6a17548d66464dae99befd00ba5cd933_191_Dy1Ge2Ir3 |
[
"Dy",
"Ge",
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] | 10 | A7B2C | DyGe2Ni7 | Dy1 Ni7 Ge2 | 3 | [
1,
1,
1
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[
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0,
0
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[
0,
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[
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[
2.165240015... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
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... | 0.001646 | 9.652885 | pbe | true | 06770eae824fd05e5edfc192adcb7c89_65_Dy1Ni7Ge2 |
[
"Dy",
"Ge",
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] | 4 | A2BC | DyGe2Pu | Dy1 Pu1 Ge2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.69779003,
0
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[
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Ge",
"Ge",
"Dy",
"Pu"
] | 2023-11-16 06:57:59 | [
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[
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[
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] | -30.18701 | [
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[
0,
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[
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] | 5.744186 | 9.619109 | pbe | true | d822a6db1812da66e2a5dbcaba75eba5_123_Dy1Pu1Ge2 |
[
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"Ho",
"Mo",
"O"
] | 30 | A9B3C2D | Ba3Ho2MoO9 | Ba6 Ho4 Mo2 O18 | 4 | [
1,
1,
1
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[
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[
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[
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[
6.1... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}] | [
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] | 2023-11-16 06:57:59 | [
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[
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0
]... | 0 | 0 | pbe | true | 59b01318a8831057d5c60af9d67ad734_15_Ba6Ho4Mo2O18 |
[
"Dy",
"H",
"Rh"
] | 11 | A8B2C | Dy2H8Rh | Dy2 H8 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.62383664,
0,
0
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[
0,
4.21586761,
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[
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] | agm003529707 | [
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[
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1.2896529020685... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
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"H",
"H",
"H",
"H",
"H",
"H",
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] | 2023-11-16 06:57:59 | [
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[
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[
0,
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[
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-0.... | 0.000003 | 2.404729 | pbe | true | 4d4183015ff9dc182bd93a64f5675cb1_12_Dy2H8Rh1 |
[
"Dy",
"Hg",
"Li"
] | 7 | A5BC | DyHg5Li | Li1 Dy1 Hg5 | 3 | [
1,
1,
1
] | 3 | [
[
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0.21190276,
-0.00002281
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[
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[
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]
] | agm005763077 | [
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[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}] | [
"Li",
"Dy",
"Hg",
"Hg",
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"Hg",
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] | 2023-11-16 06:57:59 | [
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[
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[
-2e-8,
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-0.00113323
]
] | 0 | 3.13546 | pbe | true | c2bfcce1437f97e656f3685c6ad57e94_65_Li1Dy1Hg5 |
[
"Dy",
"Hg",
"Th"
] | 8 | A3B3C2 | Dy3Hg3Th2 | Dy3 Th2 Hg3 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
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[
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[
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] | agm005578309 | [
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[
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1.25... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}] | [
"Dy",
"Dy",
"Dy",
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] | 2023-11-16 06:57:59 | [
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[
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] | -31.826683 | [
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[
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... | 0.00001 | 7.457882 | pbe | true | c1547ba08efa021e4a171dc688ecf328_71_Dy3Th2Hg3 |
[
"Dy",
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] | 10 | A5B4C | Dy4Ho5Nd | Nd1 Dy4 Ho5 | 3 | [
1,
1,
1
] | 3 | [
[
6.26735857,
0,
0
],
[
3.13367929,
7.20258094,
4e-8
],
[
3.13367929,
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] | agm003651831 | [
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[
5.974364418559602... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
"Nd",
"Dy",
"Dy",
"Dy",
"Dy",
"Ho",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -43.032768 | [
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[
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... | 0.00018 | 14.435048 | pbe | true | ff5b42983b406a61a7f679499e830428_79_Nd1Dy4Ho5 |
[
"Dy",
"Ho",
"Nd"
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1,
1,
1
] | 3 | [
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0,
0
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[
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... | 0.000022 | 15.060645 | pbe | true | a92276d9c84669690fb04481d28b88e6_12_Nd5Dy4Ho1 |
[
"Dy",
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1,
1,
1
] | 3 | [
[
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[
"Dy",
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1,
1,
1
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[
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0,
0
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0.003880... | -0.000013 | 28.405724 | pbe | true | b6668f72838a3eaa114dbc2438dc8b01_12_Dy5Ho12Sc2 |
[
"Dy",
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] | 10 | A3BC | DyHo3Tb | Tb2 Dy2 Ho6 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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-0.0000... | 0.000002 | 12.719486 | pbe | true | f49fd3eef2654b9d04f90cc82f872173_2_Tb2Dy2Ho6 |
[
"Dy",
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] | 10 | A5B4C | DyHo5Th4 | Dy1 Ho5 Th4 | 3 | [
1,
1,
1
] | 3 | [
[
3.40416412,
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[
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[
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[
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0.00199... | 0.000099 | 17.766636 | pbe | true | f0b25cd2013af326cc9a2a2330a2ec91_12_Dy1Ho5Th4 |
[
"Dy",
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"Tl"
] | 7 | A4B2C | Dy2HoTl4 | Dy2 Ho1 Tl4 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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] | agm005985356 | [
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[
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2.633... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}] | [
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] | 0.00018 | 6.343092 | pbe | true | 5e717f75733ad2546a18ff0ffd46956d_139_Dy2Ho1Tl4 |
[
"Dy",
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"Tm"
] | 12 | A5B4C3 | Dy4Ho5Tm3 | Dy4 Ho5 Tm3 | 3 | [
1,
1,
1
] | 3 | [
[
6.78774974,
-0.4051788,
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[
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[
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] | 2023-11-16 06:57:59 | [
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[... | 0 | 15.550293 | pbe | true | c8655d6e074bc24bbc1379b0980985a3_2_Dy4Ho5Tm3 |
[
"Co",
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"Mn",
"O"
] | 24 | A12B7C3D2 | Co3Li7Mn2O12 | Li7 Mn2 Co3 O12 | 4 | [
1,
1,
1
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[
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[
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[
3.94292321318517e-18,
11.74084570282035,
2.3903510264... | [{"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": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
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"O",
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] | 2023-11-16 06:57:59 | [
0.125,
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[
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] | -139.85805 | [
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[
0,
0.00231414,
... | 8.342835 | 5.027118 | pbe | true | 9bbabf2c98d9e3969d0ef2d940efd6f0_8_Li7Mn2Co3O12 |
[
"Dy",
"I",
"Pu"
] | 14 | A5BC | DyI5Pu | Dy2 Pu2 I10 | 3 | [
1,
1,
1
] | 3 | [
[
4.27844398,
0,
0
],
[
0,
9.29377145,
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[
0,
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[
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1,
1
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[
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[
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[
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... | 0.000008 | 30.319859 | pbe | true | caa244877e3716371ba07b7919ee4feb_11_Dy6Y12In2 |
[
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[
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