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"updated_at": "2021-11-28T01:38:30.451000Z",
"spacegroup": 16
},
{
"id": "mp-1522734",
"created_at": "2022-09-04T14:48:04.763932Z",
"structure_string": "Na1 Pr1 Y1 Fe1 O6\n1.0\n0.000000 -4.023055 -4.023055\n4.023055 0.000000 -4.023055\n4.023055 -4.023055 0.000000\nNa Pr Y Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Fe\n0.769329 0.230671 0.230671 O\n0.230671 0.769329 0.769329 O\n0.769329 0.230671 0.769329 O\n0.230671 0.769329 0.230671 O\n0.769329 0.769329 0.230671 O\n0.230671 0.230671 0.769329 O\n",
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"elements": [
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"O"
],
"chemical_system": "Fe-Na-O-Pr-Y",
"density": 5.159706703213363,
"density_atomic": 0.07678954504230309,
"volume": 130.2260613015878,
"volume_molar": 7.8423967177855065,
"formula_full": "Na1 Pr1 Y1 Fe1 O6",
"formula_reduced": "NaPrYFeO6",
"formula_anonymous": "ABCDE6",
"energy": -75.19350066,
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"energy_uncorrected": -68.81550066,
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"updated_at": "2021-11-28T01:38:16.262000Z",
"spacegroup": 216
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{
"id": "mp-1040806",
"created_at": "2022-09-04T14:48:03.384117Z",
"structure_string": "Ca4 La4 Ta4 Cr4 O24\n1.0\n-0.000015 5.654866 -0.000042\n-5.450165 -0.000048 8.490700\n5.537010 -0.000078 8.567765\nCa La Ta Cr O\n4 4 4 4 24\ndirect\n0.450269 0.133496 0.611325 Ca\n0.450279 0.633492 0.111322 Ca\n0.049714 0.633497 0.611317 Ca\n0.049733 0.133497 0.111341 Ca\n0.954110 0.368215 0.387216 La\n0.954090 0.868215 0.887217 La\n0.545890 0.868218 0.387205 La\n0.545910 0.368207 0.887222 La\n0.003263 0.750786 0.250978 Ta\n0.003264 0.250778 0.750987 Ta\n0.496749 0.250786 0.250980 Ta\n0.496748 0.750787 0.750985 Ta\n0.998443 0.499238 0.001321 Cr\n0.501544 0.999217 0.001336 Cr\n0.998407 0.999245 0.501322 Cr\n0.501594 0.499233 0.501318 Cr\n0.452669 0.085603 0.192510 O\n0.452663 0.585601 0.692508 O\n0.047339 0.085602 0.692508 O\n0.047335 0.585600 0.192510 O\n0.208512 0.368175 0.582484 O\n0.208511 0.868173 0.082484 O\n0.291462 0.868162 0.582522 O\n0.291465 0.368155 0.082526 O\n0.215773 0.180661 0.384910 O\n0.215776 0.680660 0.884916 O\n0.284230 0.680660 0.384913 O\n0.284231 0.180660 0.884913 O\n0.718710 0.316571 0.617007 O\n0.718713 0.816574 0.117006 O\n0.781296 0.816575 0.617005 O\n0.781290 0.316579 0.117005 O\n0.702342 0.129968 0.418597 O\n0.702351 0.629969 0.918596 O\n0.797662 0.629967 0.418599 O\n0.797657 0.129965 0.918597 O\n0.957467 0.917300 0.303625 O\n0.957466 0.417306 0.803624 O\n0.542533 0.917301 0.803623 O\n0.542538 0.417301 0.303624 O\n",
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"elements": [
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],
"chemical_system": "Ca-Cr-La-O-Ta",
"density": 6.366560788482205,
"density_atomic": 0.0754843964082136,
"volume": 529.9108412244988,
"volume_molar": 7.977994190259857,
"formula_full": "Ca4 La4 Ta4 Cr4 O24",
"formula_reduced": "CaLaTaCrO6",
"formula_anonymous": "ABCDE6",
"energy": -364.2702935699999,
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"energy_uncorrected": -339.78629357,
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"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.990000Z",
"spacegroup": 7
}
]
}