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{
"id": "mp-1093636",
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{
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"formula_full": "Li4 Mn2 Cr1 Ni3 P6 O24",
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{
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"formula_full": "Sr2 Co1 C2 O2",
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{
"id": "mp-973099",
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"density": 8.462727678179151,
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"formula_full": "La2 Pd1 Ru1",
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{
"id": "mp-1096306",
"created_at": "2022-09-04T14:47:38.729663Z",
"structure_string": "Ta1 Nb1 Mo2\n1.0\n-4.654262 5.275958 7.617248\n4.654262 -5.275958 7.617248\n4.654262 5.275958 -7.617248\nTa Nb Mo\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n0.000000 0.251931 0.251931 Mo\n0.000000 0.748069 0.748069 Mo\n",
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"volume": 748.1871475450284,
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"spacegroup": 71
},
{
"id": "mp-1075310",
"created_at": "2022-09-04T14:47:38.781565Z",
"structure_string": "Mg6 Si8\n1.0\n-5.659971 0.000000 0.000000\n1.148835 6.635340 0.000000\n-0.005877 -2.731956 -6.602145\nMg Si\n6 8\ndirect\n0.773240 0.674476 0.290184 Mg\n0.106093 0.853048 0.040139 Mg\n0.497153 0.548913 0.608271 Mg\n0.635773 0.115409 0.452138 Mg\n0.215404 0.420097 0.917325 Mg\n0.892703 0.985148 0.747290 Mg\n0.012422 0.540951 0.564871 Si\n0.134481 0.114645 0.461672 Si\n0.270108 0.709003 0.354500 Si\n0.999742 0.269662 0.208204 Si\n0.602089 0.859495 0.018914 Si\n0.696958 0.383036 0.889694 Si\n0.407734 0.013800 0.789277 Si\n0.502759 0.258735 0.157271 Si\n",
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{
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"created_at": "2022-09-04T14:47:38.859620Z",
"structure_string": "Ca8 Cr16 O32\n1.0\n7.646513 0.000000 0.000000\n0.000000 9.138929 0.000000\n0.000000 0.000000 10.687293\nCa Cr O\n8 16 32\ndirect\n0.501714 0.081408 0.889360 Ca\n0.466937 0.612215 0.682254 Ca\n0.966937 0.112215 0.817746 Ca\n0.001714 0.581408 0.610640 Ca\n0.533063 0.112215 0.317746 Ca\n0.498286 0.581408 0.110640 Ca\n0.998286 0.081408 0.389360 Ca\n0.033063 0.612215 0.182254 Ca\n0.750089 0.771825 0.880345 Cr\n0.751855 0.432640 0.832777 Cr\n0.666376 0.899892 0.622734 Cr\n0.248145 0.932640 0.167223 Cr\n0.250089 0.271825 0.619655 Cr\n0.833624 0.899892 0.122734 Cr\n0.749911 0.771825 0.380345 Cr\n0.333624 0.399892 0.377266 Cr\n0.319802 0.740147 0.414833 Cr\n0.819802 0.240147 0.085167 Cr\n0.680198 0.240147 0.585167 Cr\n0.748145 0.432640 0.332777 Cr\n0.251855 0.932640 0.667223 Cr\n0.166376 0.399892 0.877266 Cr\n0.249911 0.271825 0.119655 Cr\n0.180198 0.740147 0.914833 Cr\n0.347968 0.918778 0.327671 O\n0.684392 0.284529 0.942803 O\n0.949318 0.723367 0.988389 O\n0.209626 0.587780 0.791515 O\n0.247313 0.463923 0.039449 O\n0.978032 0.366141 0.755933 O\n0.747313 0.963923 0.460551 O\n0.815608 0.284529 0.442803 O\n0.790374 0.087780 0.208485 O\n0.184392 0.784529 0.557197 O\n0.550682 0.723367 0.488389 O\n0.152032 0.918778 0.827671 O\n0.478032 0.866141 0.744067 O\n0.252687 0.463923 0.539449 O\n0.115018 0.094239 0.601120 O\n0.704072 0.743315 0.205058 O\n0.050682 0.223367 0.011611 O\n0.709626 0.087780 0.708485 O\n0.315608 0.784529 0.057197 O\n0.290374 0.587780 0.291515 O\n0.204072 0.243315 0.294942 O\n0.752687 0.963923 0.960551 O\n0.521968 0.366141 0.255933 O\n0.884982 0.594239 0.398880 O\n0.795928 0.743315 0.705058 O\n0.295928 0.243315 0.794942 O\n0.449318 0.223367 0.511611 O\n0.384982 0.094239 0.101120 O\n0.847968 0.418778 0.172329 O\n0.021968 0.866141 0.244067 O\n0.615018 0.594239 0.898880 O\n0.652032 0.418778 0.672329 O\n",
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{
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{
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{
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"structure_string": "Ca4 La4 Mn8 O24\n1.0\n5.546569 0.000000 0.000000\n0.000000 7.648612 0.000000\n0.000000 0.000000 11.022226\nCa La Mn O\n4 4 8 24\ndirect\n0.496858 0.500000 0.383489 Ca\n0.503142 0.000000 0.883489 Ca\n0.995802 0.000000 0.113174 Ca\n0.004198 0.500000 0.613174 Ca\n0.484786 0.500000 0.867368 La\n0.515214 0.000000 0.367368 La\n0.992593 0.000000 0.627707 La\n0.007407 0.500000 0.127707 La\n0.010679 0.251586 0.371426 Mn\n0.010679 0.748414 0.371426 Mn\n0.989321 0.248414 0.871426 Mn\n0.989321 0.751586 0.871426 Mn\n0.505834 0.248267 0.122036 Mn\n0.505834 0.751733 0.122036 Mn\n0.494166 0.251733 0.622036 Mn\n0.494166 0.748267 0.622036 Mn\n0.254127 0.294902 0.497068 O\n0.254127 0.705098 0.497068 O\n0.745873 0.205098 0.997068 O\n0.745873 0.794902 0.997068 O\n0.277825 0.295576 0.253244 O\n0.277825 0.704424 0.253244 O\n0.722175 0.204424 0.753244 O\n0.722175 0.795576 0.753244 O\n0.219491 0.289377 0.741812 O\n0.219491 0.710623 0.741812 O\n0.780509 0.210623 0.241812 O\n0.780509 0.789377 0.241812 O\n0.759394 0.213930 0.494985 O\n0.759394 0.786070 0.494985 O\n0.240606 0.286070 0.994985 O\n0.240606 0.713930 0.994985 O\n0.427032 0.000000 0.606189 O\n0.572968 0.500000 0.106189 O\n0.577668 0.500000 0.631490 O\n0.422332 0.000000 0.131490 O\n0.075527 0.000000 0.863512 O\n0.924473 0.500000 0.363512 O\n0.917955 0.500000 0.879227 O\n0.082045 0.000000 0.379227 O\n",
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],
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{
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],
"chemical_system": "F-Fe-O",
"density": 4.216666011848599,
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"volume": 107.32272122751543,
"volume_molar": 7.181250377537087,
"formula_full": "Fe3 O3 F3",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
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}
]
}