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{
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{
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"formula_full": "Zn4 Cr4 O8",
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{
"id": "mp-580215",
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"structure_string": "Ce1 Ga6 Pd1\n1.0\n4.455011 0.000000 0.000000\n0.000000 4.455011 0.000000\n0.000000 0.000000 7.894518\nCe Ga Pd\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.152004 Ga\n0.000000 0.500000 0.673535 Ga\n0.500000 0.500000 0.847996 Ga\n0.500000 0.000000 0.673535 Ga\n0.000000 0.500000 0.326465 Ga\n0.500000 0.000000 0.326465 Ga\n0.000000 0.000000 0.500000 Pd\n",
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{
"id": "mp-1097146",
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{
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"structure_string": "Li2 Sm4 Ir2 O12\n1.0\n5.820533 0.000000 0.000000\n0.000000 5.393483 0.000000\n0.000000 5.298446 7.712497\nLi Sm Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.077790 0.772794 0.747878 Sm\n0.577790 0.227206 0.752122 Sm\n0.422210 0.772794 0.247878 Sm\n0.922210 0.227206 0.252122 Sm\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.291315 0.267624 0.556799 O\n0.791315 0.732376 0.943201 O\n0.708685 0.732376 0.443201 O\n0.208685 0.267624 0.056799 O\n0.034629 0.638713 0.253788 O\n0.534629 0.361287 0.246212 O\n0.314683 0.855710 0.948338 O\n0.814683 0.144290 0.551662 O\n0.685317 0.144290 0.051662 O\n0.185317 0.855710 0.448338 O\n0.465371 0.638713 0.753788 O\n0.965371 0.361287 0.746212 O\n",
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{
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"structure_string": "Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.503774 -0.024892 -0.171834\n4.236069 -7.665323 -0.045535\n4.369127 -2.534095 -7.123333\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.754769 0.370212 0.742591 Mg\n0.563215 0.142430 0.150058 V\n0.007534 0.985598 0.007886 Cr\n0.495323 0.504347 0.493192 Cr\n0.061317 0.654452 0.646714 Fe\n0.431544 0.860339 0.855084 Fe\n0.952936 0.340863 0.344354 Fe\n0.235766 0.253685 0.559996 P\n0.252552 0.945018 0.250960 P\n0.277276 0.539041 0.932621 P\n0.739503 0.469501 0.047194 P\n0.748031 0.045999 0.751921 P\n0.739615 0.762663 0.460828 P\n0.067648 0.082822 0.329091 O\n0.110742 0.476938 0.101303 O\n0.031994 0.322409 0.556344 O\n0.225462 0.093921 0.754385 O\n0.391621 0.199161 0.385932 O\n0.279273 0.411004 0.556888 O\n0.231510 0.918242 0.099147 O\n0.286837 0.745589 0.409235 O\n0.570504 0.621686 0.990657 O\n0.286900 0.556737 0.738378 O\n0.758906 0.281533 0.045405 O\n0.563157 0.006440 0.827034 O\n0.435702 0.993855 0.177806 O\n0.253208 0.732479 0.914797 O\n0.706624 0.448972 0.249071 O\n0.475256 0.392024 0.942039 O\n0.719897 0.250815 0.599741 O\n0.778220 0.079913 0.897752 O\n0.698904 0.589710 0.485702 O\n0.563545 0.856035 0.598412 O\n0.774262 0.902546 0.254255 O\n0.920653 0.685232 0.507412 O\n0.931072 0.505836 0.896825 O\n0.928719 0.893827 0.688989 O\n",
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{
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{
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{
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{
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"structure_string": "Ca2 Mn4 O8\n1.0\n-3.141859 3.141859 4.529969\n3.141859 -3.141859 4.529969\n3.141859 3.141859 -4.529969\nCa Mn O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ca\n0.875000 0.625000 0.250000 Mn\n0.375000 0.625000 0.750000 Mn\n0.375000 0.625000 0.250000 Mn\n0.375000 0.125000 0.750000 Mn\n0.652317 0.471778 0.301595 O\n0.649278 0.347683 0.819461 O\n0.528222 0.829817 0.180539 O\n0.579817 0.899278 0.801595 O\n0.221778 0.420183 0.319461 O\n0.100722 0.902317 0.680539 O\n0.170183 0.350722 0.698405 O\n0.097683 0.778222 0.198405 O\n",
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],
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"formula_full": "Ca2 Mn4 O8",
"formula_reduced": "CaMn2O4",
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"updated_at": "2021-11-28T01:35:25.676000Z",
"spacegroup": 88
},
{
"id": "mp-726151",
"created_at": "2022-09-04T14:41:48.705454Z",
"structure_string": "N16 Cl4\n1.0\n-6.468243 0.000000 0.000000\n-0.052856 -6.821759 0.000000\n-0.034610 -0.053977 7.486231\nN Cl\n16 4\ndirect\n0.186358 0.473660 0.458798 N\n0.684179 0.521357 0.041347 N\n0.816705 0.028597 0.958150 N\n0.314318 0.978693 0.544821 N\n0.024468 0.418788 0.451290 N\n0.523536 0.582994 0.047767 N\n0.978752 0.082686 0.946527 N\n0.475073 0.917173 0.550002 N\n0.059589 0.724484 0.727080 N\n0.561331 0.287758 0.769311 N\n0.939632 0.774202 0.223992 N\n0.440283 0.217722 0.269317 N\n0.087793 0.838918 0.270290 N\n0.602049 0.179201 0.229294 N\n0.907932 0.661559 0.769501 N\n0.396473 0.315089 0.732599 N\n0.642423 0.581285 0.464510 Cl\n0.151495 0.431027 0.039262 Cl\n0.360592 0.916038 0.967302 Cl\n0.847017 0.068769 0.538841 Cl\n",
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"elements": [
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"updated_at": "2021-11-28T01:35:40.288000Z",
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{
"id": "mp-1276026",
"created_at": "2022-09-04T14:41:48.720205Z",
"structure_string": "Li4 V4 O8\n1.0\n-4.397287 -2.538297 -0.039576\n2.990209 -5.178243 0.000654\n-2.928479 1.761111 4.936144\nLi V O\n4 4 8\ndirect\n0.500003 0.749858 0.997877 Li\n0.500026 0.251958 0.002106 Li\n0.999918 0.498168 0.998103 Li\n0.000072 0.000039 0.001888 Li\n0.999893 0.496324 0.500024 V\n0.499828 0.253992 0.499947 V\n0.000068 0.989016 0.499945 V\n0.500281 0.760895 0.499937 V\n0.246969 0.628461 0.265078 O\n0.244015 0.131226 0.272019 O\n0.744122 0.390450 0.271966 O\n0.747738 0.886949 0.265614 O\n0.756073 0.359303 0.728038 O\n0.752914 0.863424 0.734953 O\n0.252189 0.121361 0.734311 O\n0.255890 0.618576 0.728193 O\n",
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],
"chemical_system": "Li-O-V",
"density": 3.9730378565943503,
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"formula_full": "Li4 V4 O8",
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"updated_at": "2021-11-28T01:35:26.887000Z",
"spacegroup": 13
}
]
}