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{
"id": "mp-1174497",
"created_at": "2022-09-04T14:43:06.278231Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n3.027973 0.000000 0.000000\n1.062684 7.751158 0.000000\n1.358007 1.853361 10.938292\nLi Mn Co O\n8 2 4 14\ndirect\n0.636947 0.932652 0.789905 Li\n0.790202 0.358062 0.066697 Li\n0.926787 0.785863 0.355815 Li\n0.073213 0.214137 0.644185 Li\n0.209798 0.641938 0.933303 Li\n0.363053 0.067348 0.210095 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.851124 0.568676 0.716734 Mn\n0.148876 0.431324 0.283266 Mn\n0.278917 0.857783 0.571796 Co\n0.440583 0.271777 0.862868 Co\n0.559417 0.728223 0.137132 Co\n0.721083 0.142217 0.428204 Co\n0.213993 0.750048 0.743565 O\n0.391210 0.192509 0.018883 O\n0.514742 0.611053 0.306431 O\n0.691467 0.032010 0.597602 O\n0.805650 0.455819 0.885074 O\n0.939816 0.879225 0.175185 O\n0.128595 0.319543 0.454791 O\n0.060184 0.120775 0.824815 O\n0.194350 0.544181 0.114926 O\n0.308533 0.967990 0.402398 O\n0.485258 0.388947 0.693569 O\n0.608790 0.807491 0.981117 O\n0.786007 0.249952 0.256435 O\n0.871405 0.680457 0.545209 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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},
{
"id": "mp-720283",
"created_at": "2022-09-04T14:43:06.296769Z",
"structure_string": "K8 H24 Pt4 C16 N16 O12\n1.0\n6.980295 0.000000 0.000000\n0.000000 11.884213 0.000000\n0.000000 0.000000 13.485198\nK H Pt C N O\n8 24 4 16 16 12\ndirect\n0.795822 0.859795 0.343840 K\n0.295822 0.640205 0.156160 K\n0.204178 0.640205 0.843840 K\n0.704178 0.859795 0.656160 K\n0.204178 0.140205 0.656160 K\n0.704178 0.359795 0.843840 K\n0.795822 0.359795 0.156160 K\n0.295822 0.140205 0.343840 K\n0.854601 0.581131 0.011938 H\n0.354601 0.918869 0.488062 H\n0.145399 0.918869 0.511938 H\n0.645399 0.581131 0.988062 H\n0.145399 0.418869 0.988062 H\n0.645399 0.081131 0.511938 H\n0.854601 0.081131 0.488062 H\n0.354601 0.418869 0.011938 H\n0.760861 0.640529 0.219469 H\n0.260861 0.859471 0.280531 H\n0.239139 0.859471 0.719469 H\n0.739139 0.640529 0.780531 H\n0.239139 0.359471 0.780531 H\n0.739139 0.140529 0.719469 H\n0.760861 0.140529 0.280531 H\n0.260861 0.359471 0.219469 H\n0.740457 0.732103 0.140099 H\n0.240457 0.767897 0.359901 H\n0.259543 0.767897 0.640099 H\n0.759543 0.732103 0.859901 H\n0.259543 0.267897 0.859901 H\n0.759543 0.232103 0.640099 H\n0.740457 0.232103 0.359901 H\n0.240457 0.267897 0.140099 H\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.500296 0.833987 0.979804 C\n0.000296 0.666013 0.520196 C\n0.499704 0.666013 0.479804 C\n0.999704 0.833987 0.020196 C\n0.499704 0.166013 0.020196 C\n0.999704 0.333987 0.479804 C\n0.500296 0.333987 0.520196 C\n0.000296 0.166013 0.979804 C\n0.484054 0.975712 0.145789 C\n0.984054 0.524288 0.354211 C\n0.515946 0.524288 0.645789 C\n0.015946 0.975712 0.854211 C\n0.515946 0.024288 0.854211 C\n0.015946 0.475712 0.645789 C\n0.484054 0.475712 0.354211 C\n0.984054 0.024288 0.145789 C\n0.501014 0.735664 0.970007 N\n0.001014 0.764336 0.529993 N\n0.498986 0.764336 0.470007 N\n0.998986 0.735664 0.029993 N\n0.498986 0.264336 0.029993 N\n0.998986 0.235664 0.470007 N\n0.501014 0.235664 0.529993 N\n0.001014 0.264336 0.970007 N\n0.473306 0.961313 0.231962 N\n0.973306 0.538687 0.268038 N\n0.526694 0.538687 0.731962 N\n0.026694 0.961313 0.768038 N\n0.526694 0.038687 0.768038 N\n0.026694 0.461313 0.731962 N\n0.473306 0.461313 0.268038 N\n0.973306 0.038687 0.231962 N\n0.750000 0.527592 0.000000 O\n0.250000 0.972408 0.500000 O\n0.250000 0.472408 0.000000 O\n0.750000 0.027592 0.500000 O\n0.678428 0.704265 0.199913 O\n0.178428 0.795735 0.300087 O\n0.321572 0.795735 0.699913 O\n0.821572 0.704265 0.800087 O\n0.321572 0.295735 0.800087 O\n0.821572 0.204265 0.699913 O\n0.678428 0.204265 0.300087 O\n0.178428 0.295735 0.199913 O\n",
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"elements": [
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],
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"volume": 1118.6688153314215,
"volume_molar": 8.420976337185333,
"formula_full": "K8 H24 Pt4 C16 N16 O12",
"formula_reduced": "K2H6PtC4N4O3",
"formula_anonymous": "AB2C3D4E4F6",
"energy": -513.50599606,
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"spacegroup": 60
},
{
"id": "mp-1212454",
"created_at": "2022-09-04T14:43:06.315157Z",
"structure_string": "La12 Lu8 Ga12 O48\n1.0\n-6.541683 6.541683 6.541683\n6.541683 -6.541683 6.541683\n6.541683 6.541683 -6.541683\nLa Lu Ga O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 La\n0.750000 0.625000 0.875000 La\n0.750000 0.125000 0.375000 La\n0.125000 0.250000 0.375000 La\n0.375000 0.750000 0.125000 La\n0.250000 0.875000 0.625000 La\n0.875000 0.750000 0.625000 La\n0.625000 0.250000 0.875000 La\n0.375000 0.125000 0.250000 La\n0.625000 0.875000 0.750000 La\n0.125000 0.375000 0.750000 La\n0.875000 0.625000 0.250000 La\n0.000000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.476054 0.374843 0.289927 O\n0.523946 0.625157 0.710073 O\n0.584916 0.186127 0.210073 O\n0.915084 0.125157 0.601211 O\n0.289927 0.476054 0.374843 O\n0.313873 0.915084 0.289927 O\n0.415084 0.813873 0.789927 O\n0.084916 0.874843 0.398789 O\n0.710073 0.523946 0.625157 O\n0.686127 0.084916 0.710073 O\n0.023946 0.313873 0.898789 O\n0.210073 0.584916 0.186127 O\n0.125157 0.023946 0.210073 O\n0.976054 0.686127 0.101211 O\n0.789927 0.415084 0.813873 O\n0.874843 0.976054 0.789927 O\n0.601211 0.915084 0.125157 O\n0.186127 0.476054 0.601211 O\n0.398789 0.084916 0.874843 O\n0.813873 0.523946 0.398789 O\n0.898789 0.023946 0.313873 O\n0.374843 0.584916 0.898789 O\n0.101211 0.976054 0.686127 O\n0.625157 0.415084 0.101211 O\n0.374843 0.289927 0.476054 O\n0.584916 0.898789 0.374843 O\n0.625157 0.710073 0.523946 O\n0.415084 0.101211 0.625157 O\n0.125157 0.601211 0.915084 O\n0.023946 0.210073 0.125157 O\n0.874843 0.398789 0.084916 O\n0.976054 0.789927 0.874843 O\n0.313873 0.898789 0.023946 O\n0.915084 0.289927 0.313873 O\n0.686127 0.101211 0.976054 O\n0.084916 0.710073 0.686127 O\n0.186127 0.210073 0.584916 O\n0.476054 0.601211 0.186127 O\n0.813873 0.789927 0.415084 O\n0.523946 0.398789 0.813873 O\n0.289927 0.313873 0.915084 O\n0.710073 0.686127 0.084916 O\n0.210073 0.125157 0.023946 O\n0.789927 0.874843 0.976054 O\n0.898789 0.374843 0.584916 O\n0.101211 0.625157 0.415084 O\n0.601211 0.186127 0.476054 O\n0.398789 0.813873 0.523946 O\n",
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"elements": [
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"volume": 1119.769093546405,
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"formula_full": "La12 Lu8 Ga12 O48",
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"spacegroup": 230
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{
"id": "mp-770755",
"created_at": "2022-09-04T14:43:06.319578Z",
"structure_string": "Li12 Cr4 O12\n1.0\n2.727985 -4.725008 0.000000\n2.727985 4.725008 0.000000\n0.000000 0.000000 9.811788\nLi Cr O\n12 4 12\ndirect\n0.679716 0.056817 0.077777 Li\n0.622899 0.943183 0.577777 Li\n0.320284 0.377101 0.577777 Li\n0.377101 0.056817 0.422223 Li\n0.377101 0.320284 0.077777 Li\n0.320284 0.943183 0.922223 Li\n0.056817 0.377101 0.922223 Li\n0.943183 0.622899 0.077777 Li\n0.056817 0.679716 0.577777 Li\n0.943183 0.320284 0.422223 Li\n0.679716 0.622899 0.422223 Li\n0.622899 0.679716 0.922223 Li\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.000000 0.000000 0.250000 Cr\n0.000000 0.000000 0.750000 Cr\n0.705742 0.043718 0.868168 O\n0.662025 0.956282 0.368168 O\n0.337975 0.043718 0.631832 O\n0.294258 0.956282 0.131832 O\n0.337975 0.294258 0.868168 O\n0.294258 0.337975 0.368168 O\n0.043718 0.705742 0.368168 O\n0.043718 0.337975 0.131832 O\n0.956282 0.662025 0.868168 O\n0.956282 0.294258 0.631832 O\n0.705742 0.662025 0.631832 O\n0.662025 0.705742 0.131832 O\n",
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{
"id": "mp-772428",
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"structure_string": "Li2 V2 S6 O24\n1.0\n8.216890 0.000000 0.000000\n-2.586360 8.022267 0.000000\n-2.382326 -3.613177 7.249958\nLi V S O\n2 2 6 24\ndirect\n0.874557 0.465182 0.234769 Li\n0.751206 0.119554 0.558843 Li\n0.012240 0.983762 0.000808 V\n0.488953 0.504734 0.498715 V\n0.566687 0.917053 0.776278 S\n0.212204 0.425194 0.091450 S\n0.090613 0.220913 0.440820 S\n0.902110 0.776560 0.562954 S\n0.751530 0.536893 0.886120 S\n0.466848 0.113636 0.251131 S\n0.030696 0.864894 0.766993 O\n0.254243 0.000309 0.124139 O\n0.996848 0.708323 0.456199 O\n0.530541 0.993408 0.313468 O\n0.084602 0.468813 0.166738 O\n0.479404 0.858848 0.884966 O\n0.505511 0.743455 0.594110 O\n0.273553 0.516849 0.989497 O\n0.240745 0.411516 0.487728 O\n0.137753 0.215080 0.985007 O\n0.396582 0.475286 0.262175 O\n0.821685 0.895266 0.518305 O\n0.170253 0.120139 0.519037 O\n0.575897 0.526492 0.753578 O\n0.891134 0.753069 0.985080 O\n0.739857 0.595740 0.530506 O\n0.714277 0.497826 0.030164 O\n0.473663 0.261488 0.423772 O\n0.566257 0.207426 0.167951 O\n0.838396 0.438384 0.793329 O\n0.543792 0.057539 0.723348 O\n0.940798 0.255512 0.479614 O\n0.784460 0.981080 0.870454 O\n0.011396 0.118267 0.224172 O\n",
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"formula_full": "Li2 V2 S6 O24",
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{
"id": "mp-1026738",
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"structure_string": "Ce1 Mg14 Cd1\n1.0\n6.417050 0.000000 -0.000000\n-3.208525 5.557328 -0.000000\n0.000000 0.000000 10.179844\nCe Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.183526 0.841763 0.125000 Mg\n0.159501 0.829750 0.625000 Mg\n0.658237 0.316474 0.125000 Mg\n0.670250 0.340499 0.625000 Mg\n0.658237 0.841763 0.125000 Mg\n0.670250 0.829750 0.625000 Mg\n0.333968 0.166032 0.384461 Mg\n0.333968 0.166032 0.865539 Mg\n0.333968 0.667938 0.384461 Mg\n0.333968 0.667938 0.865539 Mg\n0.832062 0.166032 0.384461 Mg\n0.832062 0.166032 0.865539 Mg\n0.833333 0.666667 0.362078 Mg\n0.833333 0.666667 0.887922 Mg\n0.166667 0.333333 0.625000 Cd\n",
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{
"id": "mp-1400735",
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"structure_string": "Mg2 Sb3 O8\n1.0\n3.202793 5.562726 0.000000\n-3.202793 5.562726 0.000000\n0.000000 2.210218 5.054093\nMg Sb O\n2 3 8\ndirect\n0.714502 0.714502 0.359786 Mg\n0.285498 0.285498 0.640214 Mg\n0.000000 0.000000 0.500000 Sb\n0.734998 0.265002 0.000000 Sb\n0.265002 0.734998 0.000000 Sb\n0.395881 0.395881 0.913069 O\n0.604119 0.604119 0.086931 O\n0.886683 0.886683 0.967206 O\n0.113317 0.113317 0.032794 O\n0.365508 0.878717 0.606188 O\n0.878717 0.365508 0.606188 O\n0.121283 0.634492 0.393812 O\n0.634492 0.121283 0.393812 O\n",
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{
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}