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{
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{
"id": "mp-8351",
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{
"id": "mp-8352",
"created_at": "2022-09-04T14:45:18.211891Z",
"structure_string": "Si2 O4\n1.0\n0.000000 3.730434 3.730434\n3.730434 0.000000 3.730434\n3.730434 3.730434 0.000000\nSi O\n2 4\ndirect\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 Si\n0.625000 0.625000 0.125000 O\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.625000 O\n0.125000 0.625000 0.625000 O\n",
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"updated_at": "2021-11-28T01:37:01.524000Z",
"spacegroup": 227
},
{
"id": "mp-8354",
"created_at": "2022-09-04T14:41:35.881230Z",
"structure_string": "La2 F6\n1.0\n2.096378 -3.631032 0.000000\n2.096378 3.631032 0.000000\n0.000000 0.000000 7.377977\nLa F\n2 6\ndirect\n0.666667 0.333333 0.750000 La\n0.333333 0.666667 0.250000 La\n0.333333 0.666667 0.921395 F\n0.666667 0.333333 0.421395 F\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n0.333333 0.666667 0.578605 F\n0.666667 0.333333 0.078605 F\n",
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{
"id": "mp-8355",
"created_at": "2022-09-04T14:41:12.696197Z",
"structure_string": "K2 Al2 Si2 O8\n1.0\n2.614499 -4.528446 0.000000\n2.614499 4.528446 0.000000\n0.000000 0.000000 8.859853\nK Al Si O\n2 2 2 8\ndirect\n0.000000 0.000000 0.243144 K\n0.000000 0.000000 0.743144 K\n0.666667 0.333333 0.549533 Al\n0.333333 0.666667 0.049533 Al\n0.333333 0.666667 0.431584 Si\n0.666667 0.333333 0.931584 Si\n0.381890 0.985496 0.489710 O\n0.396394 0.381890 0.989710 O\n0.985496 0.603606 0.989710 O\n0.014504 0.396394 0.489710 O\n0.603606 0.618110 0.489710 O\n0.618110 0.014504 0.989710 O\n0.333333 0.666667 0.247208 O\n0.666667 0.333333 0.747208 O\n",
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"formula_full": "K2 Al2 Si2 O8",
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{
"id": "mp-8357",
"created_at": "2022-09-04T14:47:29.435534Z",
"structure_string": "U2 Te6\n1.0\n4.227478 0.000000 0.000000\n0.000000 6.032512 0.000000\n0.000000 1.310046 10.494563\nU Te\n2 6\ndirect\n0.250000 0.719044 0.654324 U\n0.750000 0.280956 0.345676 U\n0.250000 0.558112 0.175770 Te\n0.750000 0.441888 0.824230 Te\n0.250000 0.092832 0.163296 Te\n0.750000 0.907168 0.836704 Te\n0.250000 0.236717 0.562917 Te\n0.750000 0.763283 0.437083 Te\n",
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"volume": 267.63561746066307,
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"formula_full": "U2 Te6",
"formula_reduced": "UTe3",
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"energy": -47.54741129,
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"updated_at": "2021-11-28T01:38:09.249000Z",
"spacegroup": 11
},
{
"id": "mp-836",
"created_at": "2022-09-04T14:39:58.308092Z",
"structure_string": "Tb1 Zn1\n1.0\n3.585476 0.000000 0.000000\n0.000000 3.585476 0.000000\n0.000000 0.000000 3.585476\nTb Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Zn\n",
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},
{
"id": "mp-8360",
"created_at": "2022-09-04T14:40:34.913690Z",
"structure_string": "Rb4 Te4\n1.0\n4.946916 0.000000 0.000000\n0.000000 5.981910 0.000000\n0.000000 0.000000 11.276989\nRb Te\n4 4\ndirect\n0.500000 0.678780 0.866252 Rb\n0.500000 0.321220 0.133748 Rb\n0.500000 0.178780 0.633748 Rb\n0.500000 0.821220 0.366252 Rb\n0.000000 0.141239 0.897642 Te\n0.000000 0.858761 0.102358 Te\n0.000000 0.641239 0.602358 Te\n0.000000 0.358761 0.397642 Te\n",
"nsites": 8,
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"elements": [
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"density": 4.240912802663952,
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"volume": 333.70872941529893,
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"formula_full": "Rb4 Te4",
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{
"id": "mp-836079",
"created_at": "2022-09-04T14:40:43.347781Z",
"structure_string": "Mn4 C20 O20\n1.0\n3.667629 9.024258 0.000000\n-3.667629 9.024258 0.000000\n0.000000 8.623388 11.736792\nMn C O\n4 20 20\ndirect\n0.301336 0.837399 0.778368 Mn\n0.162601 0.698664 0.721632 Mn\n0.698664 0.162601 0.221632 Mn\n0.837399 0.301336 0.278368 Mn\n0.392579 0.916417 0.807128 C\n0.083583 0.607421 0.692872 C\n0.607421 0.083583 0.192872 C\n0.916417 0.392579 0.307128 C\n0.306984 0.642030 0.916841 C\n0.357970 0.693016 0.583159 C\n0.693016 0.357970 0.083159 C\n0.642030 0.306984 0.416841 C\n0.270979 0.022918 0.635813 C\n0.977082 0.729021 0.864187 C\n0.729021 0.977082 0.364187 C\n0.022917 0.270979 0.135813 C\n0.029776 0.023585 0.842690 C\n0.976415 0.970224 0.657310 C\n0.970224 0.976415 0.157310 C\n0.023585 0.029776 0.342690 C\n0.563554 0.636363 0.712975 C\n0.363637 0.436446 0.787025 C\n0.436446 0.363637 0.287025 C\n0.636363 0.563554 0.212975 C\n0.451484 0.966568 0.825325 O\n0.033432 0.548516 0.674675 O\n0.548516 0.033432 0.174675 O\n0.966568 0.451484 0.325325 O\n0.308018 0.522247 0.004085 O\n0.477753 0.691982 0.495915 O\n0.691982 0.477753 0.995915 O\n0.522247 0.308018 0.504085 O\n0.249633 0.141928 0.547916 O\n0.858072 0.750367 0.952084 O\n0.750367 0.858072 0.452084 O\n0.141928 0.249633 0.047916 O\n0.862400 0.137537 0.887069 O\n0.862463 0.137600 0.612931 O\n0.137600 0.862463 0.112931 O\n0.137537 0.862400 0.387069 O\n0.726977 0.511565 0.672789 O\n0.488435 0.273023 0.827211 O\n0.273023 0.488435 0.327211 O\n0.511565 0.726977 0.172789 O\n",
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"volume": 776.9200060874523,
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"formula_full": "Mn4 C20 O20",
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{
"id": "mp-8361",
"created_at": "2022-09-04T14:40:18.643925Z",
"structure_string": "Cs4 Te4\n1.0\n5.104116 0.000000 0.000000\n0.000000 6.323351 0.000000\n0.000000 0.000000 11.822445\nCs Te\n4 4\ndirect\n0.500000 0.822000 0.364206 Cs\n0.500000 0.178000 0.635794 Cs\n0.500000 0.322000 0.135794 Cs\n0.500000 0.678000 0.864206 Cs\n0.000000 0.364709 0.404641 Te\n0.000000 0.635291 0.595359 Te\n0.000000 0.864709 0.095359 Te\n0.000000 0.135291 0.904641 Te\n",
"nsites": 8,
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{
"id": "mp-836207",
"created_at": "2022-09-04T14:47:07.133115Z",
"structure_string": "Mn4 Hg2 C20 O20\n1.0\n6.407499 0.000000 0.000000\n0.000000 6.607721 0.000000\n0.000000 1.871996 19.132963\nMn Hg C O\n4 2 20 20\ndirect\n0.151601 0.187916 0.878933 Mn\n0.651601 0.812084 0.621067 Mn\n0.848399 0.812084 0.121067 Mn\n0.348399 0.187916 0.378933 Mn\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.256383 0.316772 0.798726 C\n0.756383 0.683228 0.701274 C\n0.743617 0.683228 0.201274 C\n0.243617 0.316772 0.298726 C\n0.374509 0.240418 0.935474 C\n0.874509 0.759582 0.564526 C\n0.625491 0.759582 0.064526 C\n0.125491 0.240418 0.435474 C\n0.269256 0.937036 0.867198 C\n0.769256 0.062964 0.632802 C\n0.730744 0.062964 0.132802 C\n0.230744 0.937036 0.367198 C\n0.905717 0.106143 0.839689 C\n0.405717 0.893857 0.660311 C\n0.094283 0.893857 0.160311 C\n0.594283 0.106143 0.339689 C\n0.011514 0.413192 0.905394 C\n0.511514 0.586808 0.594606 C\n0.988486 0.586808 0.094606 C\n0.488486 0.413192 0.405394 C\n0.323190 0.400022 0.747623 O\n0.823190 0.599978 0.752377 O\n0.676810 0.599978 0.252377 O\n0.176810 0.400022 0.247623 O\n0.516293 0.271204 0.970675 O\n0.016293 0.728796 0.529325 O\n0.483707 0.728796 0.029325 O\n0.983707 0.271204 0.470675 O\n0.344665 0.781614 0.859017 O\n0.844665 0.218386 0.640983 O\n0.655335 0.218386 0.140983 O\n0.155335 0.781614 0.359017 O\n0.751734 0.056613 0.814474 O\n0.251734 0.943387 0.685526 O\n0.248266 0.943387 0.185526 O\n0.748266 0.056613 0.314474 O\n0.922054 0.554755 0.920850 O\n0.422054 0.445245 0.579150 O\n0.077946 0.445245 0.079150 O\n0.577946 0.554755 0.420850 O\n",
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{
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"updated_at": "2021-11-28T01:36:59.934000Z",
"spacegroup": 62
},
{
"id": "mp-836278",
"created_at": "2022-09-04T14:45:34.657403Z",
"structure_string": "Li2 Sb2 Mo4 O16\n1.0\n2.510959 11.050356 0.000000\n-2.510959 11.050356 0.000000\n0.000000 1.015467 5.541611\nLi Sb Mo O\n2 2 4 16\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.312140 0.687860 0.250000 Sb\n0.687860 0.312140 0.750000 Sb\n0.889446 0.385981 0.217744 Mo\n0.614019 0.110554 0.282256 Mo\n0.110554 0.614019 0.782256 Mo\n0.385981 0.889446 0.717744 Mo\n0.613782 0.707357 0.041453 O\n0.292643 0.386218 0.458547 O\n0.386218 0.292643 0.958547 O\n0.707357 0.613782 0.541453 O\n0.115535 0.303783 0.213037 O\n0.696217 0.884465 0.286963 O\n0.884465 0.696217 0.786963 O\n0.303783 0.115535 0.713037 O\n0.942892 0.848370 0.992194 O\n0.151630 0.057108 0.507806 O\n0.057108 0.151630 0.007806 O\n0.848370 0.942892 0.492194 O\n0.540457 0.355518 0.117734 O\n0.644482 0.459543 0.382266 O\n0.459543 0.644482 0.882266 O\n0.355518 0.540457 0.617734 O\n",
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"elements": [
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],
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"formula_full": "Li2 Sb2 Mo4 O16",
"formula_reduced": "LiSb(MoO4)2",
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"updated_at": "2021-11-28T01:37:08.995000Z",
"spacegroup": 15
}
]
}