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{
"id": "mp-1211883",
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"structure_string": "K5 In4 Ge6 As14\n1.0\n2.022898 20.339627 0.000000\n-2.022898 20.339627 0.000000\n0.000000 1.925686 10.367792\nK In Ge As\n5 4 6 14\ndirect\n0.819704 0.819704 0.544808 K\n0.180296 0.180296 0.455192 K\n0.000000 0.000000 0.000000 K\n0.587659 0.587659 0.175185 K\n0.412341 0.412341 0.824815 K\n0.427369 0.427369 0.230591 In\n0.572631 0.572631 0.769409 In\n0.851329 0.851329 0.129801 In\n0.148671 0.148671 0.870199 In\n0.274085 0.274085 0.163206 Ge\n0.725915 0.725915 0.836794 Ge\n0.980204 0.980204 0.421179 Ge\n0.019796 0.019796 0.578821 Ge\n0.702411 0.702411 0.073702 Ge\n0.297589 0.297589 0.926298 Ge\n0.164966 0.164966 0.113842 As\n0.835034 0.835034 0.886158 As\n0.491703 0.491703 0.277905 As\n0.508297 0.508297 0.722095 As\n0.321746 0.321746 0.273806 As\n0.678254 0.678254 0.726194 As\n0.738325 0.738325 0.239681 As\n0.261675 0.261675 0.760319 As\n0.921605 0.921605 0.554297 As\n0.078395 0.078395 0.445703 As\n0.606356 0.606356 0.525818 As\n0.393644 0.393644 0.474182 As\n0.918022 0.918022 0.078767 As\n0.081978 0.081978 0.921233 As\n",
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{
"id": "mp-8870",
"created_at": "2022-09-04T14:48:06.963030Z",
"structure_string": "Li4 Mg4 As4 O16\n1.0\n4.946573 0.000000 0.000000\n0.000000 6.050768 0.000000\n0.000000 0.000000 10.579278\nLi Mg As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.006124 0.750000 0.274777 Mg\n0.993876 0.250000 0.725223 Mg\n0.493876 0.750000 0.774777 Mg\n0.506124 0.250000 0.225223 Mg\n0.065110 0.250000 0.405710 As\n0.434890 0.250000 0.905710 As\n0.934890 0.750000 0.594290 As\n0.565110 0.750000 0.094290 As\n0.778290 0.530967 0.671087 O\n0.221710 0.469033 0.328913 O\n0.721710 0.530967 0.171087 O\n0.778290 0.969033 0.671087 O\n0.278290 0.030967 0.828913 O\n0.780106 0.250000 0.901882 O\n0.278290 0.469033 0.828913 O\n0.221710 0.030967 0.328913 O\n0.219894 0.750000 0.098118 O\n0.719894 0.250000 0.401882 O\n0.796474 0.750000 0.444968 O\n0.280106 0.750000 0.598118 O\n0.703526 0.750000 0.944968 O\n0.296474 0.250000 0.055032 O\n0.203526 0.250000 0.555032 O\n0.721710 0.969033 0.171087 O\n",
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"formula_full": "Li4 Mg4 As4 O16",
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"updated_at": "2021-11-28T01:38:25.627000Z",
"spacegroup": 62
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{
"id": "mp-559441",
"created_at": "2022-09-04T14:48:06.979789Z",
"structure_string": "Li4 Ti4 P4 O20\n1.0\n6.985356 0.000000 0.000000\n-3.316858 6.474215 0.000000\n-0.195363 -0.169549 7.970597\nLi Ti P O\n4 4 4 20\ndirect\n0.692939 0.184809 0.566907 Li\n0.307061 0.815191 0.433093 Li\n0.790714 0.706464 0.932557 Li\n0.209286 0.293536 0.067443 Li\n0.751955 0.978957 0.235991 Ti\n0.754246 0.481491 0.262657 Ti\n0.248045 0.021043 0.764009 Ti\n0.245754 0.518509 0.737343 Ti\n0.266487 0.240518 0.407312 P\n0.767595 0.248855 0.906877 P\n0.733513 0.759482 0.592688 P\n0.232405 0.751145 0.093123 P\n0.553818 0.093086 0.818985 O\n0.267393 0.256897 0.832840 O\n0.764522 0.258812 0.330417 O\n0.235478 0.741188 0.669583 O\n0.651821 0.885632 0.479305 O\n0.348179 0.114368 0.520695 O\n0.767791 0.599468 0.486156 O\n0.732607 0.743103 0.167160 O\n0.142871 0.866817 0.977365 O\n0.425629 0.350563 0.266486 O\n0.259962 0.583759 0.988881 O\n0.574371 0.649437 0.733514 O\n0.920241 0.348130 0.760271 O\n0.857129 0.133183 0.022635 O\n0.944579 0.907759 0.686065 O\n0.055421 0.092241 0.313935 O\n0.232209 0.400532 0.513844 O\n0.079759 0.651870 0.239729 O\n0.740038 0.416241 0.011119 O\n0.446182 0.906914 0.181015 O\n",
"nsites": 32,
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"elements": [
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],
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"volume": 360.46783101032133,
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"formula_full": "Li4 Ti4 P4 O20",
"formula_reduced": "LiTiPO5",
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"spacegroup": 2
},
{
"id": "mp-1254678",
"created_at": "2022-09-04T14:48:06.982296Z",
"structure_string": "Zn6 Si8 Sb4 O28\n1.0\n4.193868 8.410908 0.000000\n-4.193868 8.410908 0.000000\n0.000000 5.912606 8.813067\nZn Si Sb O\n6 8 4 28\ndirect\n0.014622 0.309784 0.108303 Zn\n0.690216 0.985378 0.391697 Zn\n0.309784 0.014622 0.608303 Zn\n0.419500 0.580500 0.750000 Zn\n0.985378 0.690216 0.891697 Zn\n0.580500 0.419500 0.250000 Zn\n0.522497 0.088956 0.712498 Si\n0.088956 0.522497 0.212498 Si\n0.491656 0.266762 0.113362 Si\n0.266762 0.491656 0.613362 Si\n0.911044 0.477503 0.787502 Si\n0.508344 0.733238 0.886638 Si\n0.733238 0.508344 0.386638 Si\n0.477503 0.911044 0.287502 Si\n0.796607 0.203393 0.750000 Sb\n0.203393 0.796607 0.250000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.797516 0.342496 0.317115 O\n0.936571 0.897983 0.399234 O\n0.493229 0.613412 0.063364 O\n0.897983 0.936571 0.899234 O\n0.270343 0.943089 0.321425 O\n0.069198 0.515266 0.631215 O\n0.613412 0.493229 0.563364 O\n0.056911 0.729657 0.178575 O\n0.930802 0.484734 0.368785 O\n0.633285 0.704398 0.262152 O\n0.063429 0.102017 0.600766 O\n0.729657 0.056911 0.678575 O\n0.484734 0.930802 0.868785 O\n0.342496 0.797516 0.817115 O\n0.704398 0.633285 0.762152 O\n0.943089 0.270343 0.821425 O\n0.923272 0.499779 0.924563 O\n0.366715 0.295602 0.737848 O\n0.500221 0.076728 0.575437 O\n0.295602 0.366715 0.237848 O\n0.515266 0.069198 0.131215 O\n0.102017 0.063429 0.100766 O\n0.499779 0.923272 0.424563 O\n0.506771 0.386588 0.936636 O\n0.076728 0.500221 0.075437 O\n0.386588 0.506771 0.436636 O\n0.657504 0.202484 0.182885 O\n0.202484 0.657504 0.682885 O\n",
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"formula_full": "Zn6 Si8 Sb4 O28",
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"spacegroup": 15
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{
"id": "mp-571071",
"created_at": "2022-09-04T14:48:06.986285Z",
"structure_string": "Ho1 Si2 Rh3\n1.0\n2.757884 -4.776795 0.000000\n2.757884 4.776795 0.000000\n0.000000 0.000000 3.684192\nHo Si Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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"density": 9.063392941184997,
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"volume": 97.06995978217171,
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"formula_full": "Ho1 Si2 Rh3",
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{
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"structure_string": "Li1 Ho1 Au2\n1.0\n0.000000 3.428792 3.428792\n3.428792 0.000000 3.428792\n3.428792 3.428792 0.000000\nLi Ho Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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{
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"structure_string": "La1 Sb1\n1.0\n0.000000 3.279540 3.279540\n3.279540 0.000000 3.279540\n3.279540 3.279540 0.000000\nLa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "mp-1209986",
"created_at": "2022-09-04T14:48:07.036622Z",
"structure_string": "Na2 Li2 Er4 F16\n1.0\n4.172953 -5.264057 0.000000\n4.172953 5.264057 0.000000\n0.000000 0.000000 7.083412\nNa Li Er F\n2 2 4 16\ndirect\n0.655393 0.655393 0.250000 Na\n0.344607 0.344607 0.750000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.075598 0.450137 0.250000 Er\n0.924402 0.549863 0.750000 Er\n0.450137 0.075598 0.250000 Er\n0.549863 0.924402 0.750000 Er\n0.088831 0.088831 0.250000 F\n0.911169 0.911169 0.750000 F\n0.934867 0.657093 0.050238 F\n0.065133 0.342907 0.949762 F\n0.657093 0.934867 0.449762 F\n0.342907 0.065133 0.550238 F\n0.388200 0.388200 0.250000 F\n0.611800 0.611800 0.750000 F\n0.745563 0.306075 0.250000 F\n0.254437 0.693925 0.750000 F\n0.306075 0.745563 0.250000 F\n0.693925 0.254437 0.750000 F\n0.065133 0.342907 0.550238 F\n0.934867 0.657093 0.449762 F\n0.342907 0.065133 0.949762 F\n0.657093 0.934867 0.050238 F\n",
"nsites": 24,
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{
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},
{
"id": "mp-1188141",
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"structure_string": "Rb1 Au1 I4 O12\n1.0\n0.000000 -5.738443 0.000000\n-6.581741 2.869221 2.264842\n0.013964 0.000000 -8.585842\nRb Au I O\n1 1 4 12\ndirect\n0.957496 0.000000 0.000000 Rb\n0.769860 0.000000 0.500000 Au\n0.709019 0.359721 0.833711 I\n0.349297 0.640279 0.166289 I\n0.318571 0.698295 0.655003 I\n0.620276 0.301705 0.344997 I\n0.889774 0.197254 0.730373 O\n0.692519 0.802746 0.269627 O\n0.917155 0.593299 0.801302 O\n0.323856 0.406701 0.198698 O\n0.854270 0.397657 0.036545 O\n0.456614 0.602343 0.963455 O\n0.373197 0.944284 0.802956 O\n0.428913 0.055716 0.197044 O\n0.160638 0.702488 0.473079 O\n0.458150 0.297512 0.526922 O\n0.654552 0.764039 0.589790 O\n0.890513 0.235961 0.410210 O\n",
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{
"id": "mp-1185667",
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"structure_string": "Na3 Ge1\n1.0\n0.000000 3.712935 3.712935\n3.712935 0.000000 3.712935\n3.712935 3.712935 0.000000\nNa Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ge\n",
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{
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"structure_string": "Ti1 Ru3\n1.0\n3.859584 0.000000 0.000000\n0.000000 3.859584 0.000000\n0.000000 0.000000 3.859584\nTi Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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],
"chemical_system": "Ru-Ti",
"density": 10.139813893026869,
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"volume": 57.493863303116484,
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}
]
}