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{
"id": "jvasp-88250",
"created_at": "2022-09-04T14:35:48.576742Z",
"updated_at": "2022-09-04T14:35:48.576760Z",
"structure_string": "Li3 Al3 Si3 O12\n1.0\n5.281927 0.000000 -0.000000\n-2.640964 4.574283 0.000000\n0.000000 0.000000 11.454413\nLi Al Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.500000 0.500000 0.166667 Al\n0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.666667 Si\n0.000000 0.500000 0.333333 Si\n0.500000 -0.000000 0.000000 Si\n0.204870 0.398237 0.744446 O\n0.806632 0.204869 0.411114 O\n0.398238 0.193368 0.077780 O\n0.806632 0.601762 0.255553 O\n0.193369 0.795130 0.411114 O\n0.795131 0.193368 0.922220 O\n0.601763 0.795130 0.588886 O\n0.193368 0.398237 0.255553 O\n0.204870 0.806631 0.922220 O\n0.398238 0.204869 0.588886 O\n0.795131 0.601762 0.744446 O\n0.601763 0.806631 0.077780 O\n",
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{
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"structure_string": "La3 Y1 Sc4 O12\n1.0\n8.068653 -0.000000 0.000000\n0.000000 5.625440 0.015429\n-0.000000 -0.009880 5.807063\nLa Y Sc O\n3 1 4 12\ndirect\n-0.000000 0.990193 0.048873 La\n0.500000 0.489470 0.455979 La\n0.500000 0.014026 0.948943 La\n-0.000000 0.519041 0.559993 Y\n0.246735 0.498786 0.002485 Sc\n0.754447 0.002268 0.500036 Sc\n0.753264 0.498786 0.002485 Sc\n0.245552 0.002268 0.500036 Sc\n0.814477 0.692240 0.307853 O\n0.191876 0.793268 0.792981 O\n0.185523 0.692240 0.307853 O\n0.808123 0.793268 0.792981 O\n0.696006 0.297203 0.704227 O\n-0.000000 0.130129 0.465106 O\n0.500000 0.903168 0.529183 O\n0.500000 0.598995 0.037145 O\n0.700757 0.194196 0.197084 O\n-0.000000 0.399057 0.945440 O\n0.299243 0.194196 0.197084 O\n0.303994 0.297203 0.704227 O\n",
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"formula_full": "La3 Y1 Sc4 O12",
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"formula_anonymous": "AB3C4D12",
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{
"id": "jvasp-19869",
"created_at": "2022-09-04T14:35:59.655241Z",
"updated_at": "2022-09-04T14:35:59.655267Z",
"structure_string": "Pu2 Co4\n1.0\n4.172395 0.000000 2.408933\n1.390798 3.933772 2.408933\n0.000000 -0.000000 4.817867\nPu Co\n2 4\ndirect\n0.875000 0.875000 0.875000 Pu\n0.125000 0.125000 0.125000 Pu\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.499999 -0.000000 0.500000 Co\n",
"nsites": 6,
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"spacegroup": 227
},
{
"id": "jvasp-106104",
"created_at": "2022-09-04T14:36:17.078759Z",
"updated_at": "2022-09-04T14:36:17.078790Z",
"structure_string": "Cr3 Ga1 Fe3 As2\n1.0\n3.787247 0.000000 0.000000\n0.000000 5.207752 -3.007708\n0.000000 0.000854 6.013860\nCr Ga Fe As\n3 1 3 2\ndirect\n0.500000 0.575933 -0.000000 Cr\n0.500000 0.424095 0.424120 Cr\n0.500000 0.999974 0.575878 Cr\n0.500000 0.000023 -0.000000 Ga\n0.000000 0.242517 -0.000000 Fe\n0.000000 0.757476 0.757497 Fe\n0.000000 0.999978 0.242502 Fe\n0.000000 0.333314 0.666666 As\n0.000000 0.666648 0.333333 As\n",
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"volume": 118.6213480672343,
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"formula_full": "Cr3 Ga1 Fe3 As2",
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{
"id": "jvasp-68264",
"created_at": "2022-09-04T14:35:49.690542Z",
"updated_at": "2022-09-04T14:35:49.690569Z",
"structure_string": "Be1 Re1 Ru2\n1.0\n-1.802568 1.802568 4.056388\n1.802568 -1.802568 4.056388\n1.802568 1.802568 -4.056388\nBe Re Ru\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Re\n0.000000 0.000000 0.000000 Ru\n0.250000 0.750001 0.500001 Ru\n",
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{
"id": "jvasp-120845",
"created_at": "2022-09-04T14:38:54.728162Z",
"updated_at": "2022-09-04T14:38:54.728192Z",
"structure_string": "B2 Se1\n1.0\n4.893383 -0.318061 -0.756559\n1.359637 -3.736193 -0.003996\n2.336231 0.483470 -2.612279\nB Se\n2 1\ndirect\n0.901096 0.560135 0.520626 B\n0.456719 0.450272 0.059954 B\n0.877663 0.914005 0.001138 Se\n",
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{
"id": "jvasp-41277",
"created_at": "2022-09-04T14:37:57.813078Z",
"updated_at": "2022-09-04T14:37:57.813112Z",
"structure_string": "Mg4 Al2 B4 Ir10\n1.0\n9.466933 -0.000000 0.000000\n-0.000000 9.466933 0.000000\n0.000000 -0.000000 2.941330\nMg Al B Ir\n4 2 4 10\ndirect\n0.176334 0.676333 0.000000 Mg\n0.323666 0.176334 0.000000 Mg\n0.676333 0.823666 0.000000 Mg\n0.823666 0.323666 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.626138 0.126138 0.000000 B\n0.873862 0.626138 0.000000 B\n0.126138 0.373862 0.000000 B\n0.373862 0.873862 0.000000 B\n0.786518 0.071326 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.071326 0.213481 0.500000 Ir\n0.213481 0.928674 0.500000 Ir\n0.286519 0.428674 0.500000 Ir\n0.428674 0.713481 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.571326 0.286519 0.500000 Ir\n0.713481 0.571326 0.500000 Ir\n0.928674 0.786518 0.500000 Ir\n",
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"formula_full": "Mg4 Al2 B4 Ir10",
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{
"id": "jvasp-57361",
"created_at": "2022-09-04T14:37:44.262041Z",
"updated_at": "2022-09-04T14:37:44.262061Z",
"structure_string": "Mn2 Se2 O8\n1.0\n5.034415 0.024102 -0.000000\n-1.903836 4.660615 0.000000\n-0.000000 0.000000 6.728304\nMn Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.644755 0.355244 0.250000 Se\n0.355244 0.644754 0.750000 Se\n0.752965 0.247035 0.457201 O\n0.247035 0.752964 0.542798 O\n0.227488 0.278987 0.750000 O\n0.772511 0.721011 0.250000 O\n0.752965 0.247035 0.042798 O\n0.247035 0.752964 0.957201 O\n0.721012 0.772510 0.750000 O\n0.278988 0.227488 0.250000 O\n",
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"formula_full": "Mn2 Se2 O8",
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},
{
"id": "jvasp-111667",
"created_at": "2022-09-04T14:38:41.307755Z",
"updated_at": "2022-09-04T14:38:41.307769Z",
"structure_string": "Ca3 V2 O8\n1.0\n5.265320 0.088809 2.095137\n2.277923 4.747899 2.095137\n-0.070787 -0.045389 6.871764\nCa V O\n3 2 8\ndirect\n0.824176 0.824177 0.584019 Ca\n0.175822 0.175823 0.415982 Ca\n0.000000 0.000000 0.000000 Ca\n0.605614 0.605615 0.207640 V\n0.394385 0.394385 0.792360 V\n0.761517 0.240069 0.295116 O\n0.682127 0.682128 0.936167 O\n0.257000 0.257000 0.694259 O\n0.240068 0.761518 0.295116 O\n0.238482 0.759931 0.704885 O\n0.759931 0.238482 0.704885 O\n0.317872 0.317872 0.063834 O\n0.742999 0.743000 0.305742 O\n",
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"volume": 171.37356876161508,
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{
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"created_at": "2022-09-04T14:37:14.929421Z",
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"structure_string": "Zn2 Ni1 Ir1\n1.0\n-0.000000 2.976348 2.976348\n2.976348 -0.000000 2.976348\n2.976348 2.976348 0.000000\nZn Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
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{
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"created_at": "2022-09-04T14:36:56.952674Z",
"updated_at": "2022-09-04T14:36:56.952694Z",
"structure_string": "Al2 Si4 O11\n1.0\n2.670256 4.602355 -0.570601\n-2.479731 4.603478 0.383962\n-0.067179 0.003408 9.466700\nAl Si O\n2 4 11\ndirect\n0.312236 0.374911 -0.000191 Al\n0.687765 0.625088 0.000191 Al\n0.266294 0.745609 0.702236 Si\n0.733707 0.254391 0.297764 Si\n0.911593 0.452814 0.700869 Si\n0.088408 0.547185 0.299131 Si\n0.901153 0.415496 0.367586 O\n0.098848 0.584503 0.632414 O\n0.439985 0.339091 0.368228 O\n0.560016 0.660909 0.631772 O\n0.616402 0.393498 0.124991 O\n0.948400 0.476754 0.874328 O\n0.037819 0.107161 0.675916 O\n0.383598 0.606501 0.875009 O\n0.500000 -0.000001 0.000000 O\n0.051601 0.523245 0.125672 O\n0.962181 0.892838 0.324084 O\n",
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{
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"created_at": "2022-09-04T14:38:27.671039Z",
"updated_at": "2022-09-04T14:38:27.671059Z",
"structure_string": "Li1 Cu1 P2 O6\n1.0\n-5.030522 -0.000253 -0.000068\n2.514512 4.645037 -0.000277\n-0.000213 -0.000772 -5.642028\nLi Cu P O\n1 1 2 6\ndirect\n0.000001 0.000035 0.666729 Li\n0.499902 0.999827 0.666563 Cu\n-0.000051 0.499927 0.337090 P\n0.500042 0.500067 0.996248 P\n0.668771 0.776227 0.861654 O\n0.107247 0.775975 0.471877 O\n0.270850 0.541672 0.166711 O\n0.729165 0.458278 0.166630 O\n0.892570 0.223825 0.471760 O\n0.331395 0.224067 0.861412 O\n",
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"volume": 131.8334590603087,
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"formula_full": "Li1 Cu1 P2 O6",
"formula_reduced": "LiCu(PO3)2",
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"spacegroup": 21
}
]
}