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{
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{
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{
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"structure_string": "K3 Mg20 In14\n1.0\n9.861891 0.000000 0.000000\n0.000000 9.861891 0.000000\n0.000000 0.000000 9.861891\nK Mg In\n3 20 14\ndirect\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.734789 0.734789 Mg\n0.265211 0.500000 0.265211 Mg\n0.825468 0.825468 0.825468 Mg\n0.500000 0.265211 0.265211 Mg\n0.825468 0.174532 0.174532 Mg\n0.174532 0.174532 0.174532 Mg\n0.500000 0.734789 0.265211 Mg\n0.174532 0.174532 0.825468 Mg\n0.825468 0.174532 0.825468 Mg\n0.734789 0.500000 0.265211 Mg\n0.734789 0.734789 0.500000 Mg\n0.265211 0.734789 0.500000 Mg\n0.265211 0.265211 0.500000 Mg\n0.174532 0.825468 0.174532 Mg\n0.265211 0.500000 0.734789 Mg\n0.825468 0.825468 0.174532 Mg\n0.734789 0.500000 0.734789 Mg\n0.500000 0.265211 0.734789 Mg\n0.174532 0.825468 0.825468 Mg\n0.734789 0.265211 0.500000 Mg\n0.000000 0.000000 0.000000 In\n0.349197 0.000000 0.349197 In\n0.000000 0.349197 0.650803 In\n0.650803 0.000000 0.349197 In\n0.000000 0.650803 0.650803 In\n0.000000 0.650803 0.349197 In\n0.349197 0.650803 0.000000 In\n0.650803 0.000000 0.650803 In\n0.000000 0.349197 0.349197 In\n0.650803 0.650803 0.000000 In\n0.349197 0.349197 0.000000 In\n0.349197 0.000000 0.650803 In\n0.500000 0.500000 0.500000 In\n0.650803 0.349197 0.000000 In\n",
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"updated_at": "2021-11-28T01:35:16.277000Z",
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},
{
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"created_at": "2022-09-04T14:41:24.727716Z",
"structure_string": "Li2 Mn1 Ni3 O8\n1.0\n-0.000069 2.994010 -4.894548\n-5.116392 1.456226 -2.472177\n-1.631006 5.505593 0.004876\nLi Mn Ni O\n2 1 3 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.499999 0.000000 Li\n0.999999 0.000004 0.499995 Mn\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000001 Ni\n0.500000 0.000000 0.000001 Ni\n0.746844 0.795631 0.210691 O\n0.253156 0.204368 0.789310 O\n0.239628 0.797409 0.223336 O\n0.760372 0.202591 0.776665 O\n0.742384 0.786664 0.754113 O\n0.216847 0.786653 0.754121 O\n0.783154 0.213348 0.245880 O\n0.257616 0.213336 0.245887 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Ni",
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],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.474226315294458,
"density_atomic": 0.10116022988952064,
"volume": 138.39430787464318,
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"formula_full": "Li2 Mn1 Ni3 O8",
"formula_reduced": "Li2MnNi3O8",
"formula_anonymous": "AB2C3D8",
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"energy_uncorrected": -74.86323171,
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"updated_at": "2021-11-28T01:35:22.353000Z",
"spacegroup": 12
},
{
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"created_at": "2022-09-04T14:41:24.730412Z",
"structure_string": "Mn4 Fe8 Si3 Ge1\n1.0\n13.032544 -1.985698 0.000000\n13.032544 1.985698 0.000000\n12.729994 0.000000 3.425996\nMn Fe Si Ge\n4 8 3 1\ndirect\n0.625344 0.625344 0.625344 Mn\n0.374656 0.374656 0.374656 Mn\n0.875252 0.875252 0.875252 Mn\n0.124748 0.124748 0.124748 Mn\n0.937559 0.937559 0.937559 Fe\n0.687386 0.687386 0.687386 Fe\n0.188780 0.188780 0.188780 Fe\n0.435891 0.435891 0.435891 Fe\n0.564109 0.564109 0.564109 Fe\n0.312614 0.312614 0.312614 Fe\n0.811220 0.811220 0.811220 Fe\n0.062441 0.062441 0.062441 Fe\n0.749705 0.749705 0.749705 Si\n0.000000 0.000000 0.000000 Si\n0.250295 0.250295 0.250295 Si\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 16,
"nelements": 4,
"elements": [
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],
"chemical_system": "Fe-Ge-Mn-Si",
"density": 7.710903939248331,
"density_atomic": 0.09023203189947288,
"volume": 177.32062177016618,
"volume_molar": 6.674060899691633,
"formula_full": "Mn4 Fe8 Si3 Ge1",
"formula_reduced": "Mn4Fe8Si3Ge",
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"updated_at": "2021-11-28T01:35:19.681000Z",
"spacegroup": 166
},
{
"id": "mp-866071",
"created_at": "2022-09-04T14:41:24.752432Z",
"structure_string": "Mg1 Ta1 Os2\n1.0\n0.000000 3.148364 3.148364\n3.148364 0.000000 3.148364\n3.148364 3.148364 0.000000\nMg Ta Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
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"elements": [
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"Os"
],
"chemical_system": "Mg-Os-Ta",
"density": 15.582927954571673,
"density_atomic": 0.06408777326378719,
"volume": 62.4144013170169,
"volume_molar": 9.396707754555129,
"formula_full": "Mg1 Ta1 Os2",
"formula_reduced": "MgTaOs2",
"formula_anonymous": "ABC2",
"energy": -36.65262262,
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"updated_at": "2021-11-28T01:35:24.538000Z",
"spacegroup": 225
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]
}