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{
"id": "jvasp-86113",
"created_at": "2022-09-04T14:36:07.073565Z",
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"structure_string": "K1 Na1 B2 H8\n1.0\n4.309898 -0.002940 6.462356\n1.955092 3.840943 6.462356\n-0.004800 -0.002940 7.767705\nK Na B H\n1 1 2 8\ndirect\n0.352961 0.352961 0.352962 K\n0.857204 0.857203 0.857206 Na\n0.592957 0.592956 0.592958 B\n0.102728 0.102727 0.102728 B\n0.375320 0.859397 0.126690 H\n0.537188 0.537187 0.537189 H\n0.859398 0.126688 0.375320 H\n0.758957 0.316155 0.761166 H\n0.126688 0.375319 0.859398 H\n0.046660 0.046660 0.046660 H\n0.316155 0.761164 0.758959 H\n0.761165 0.758957 0.316156 H\n",
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{
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"structure_string": "Al1 Ga1 O3\n1.0\n3.771947 0.000000 -0.000000\n0.000000 3.771947 -0.000000\n0.000000 -0.000000 3.771947\nAl Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:20.102405Z",
"structure_string": "Mn2 Ge2 O6\n1.0\n4.528363 -0.009546 3.320278\n1.677427 4.206234 3.320278\n-0.014116 -0.009546 5.615169\nMn Ge O\n2 2 6\ndirect\n0.366157 0.366156 0.366156 Mn\n0.633843 0.633843 0.633845 Mn\n0.156339 0.156338 0.156340 Ge\n0.843660 0.843659 0.843664 Ge\n0.044428 0.790778 0.439108 O\n0.790781 0.439105 0.044425 O\n0.439105 0.044426 0.790782 O\n0.955573 0.209219 0.560893 O\n0.560893 0.955573 0.209220 O\n0.209220 0.560891 0.955576 O\n",
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"formula_full": "Mn2 Ge2 O6",
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},
{
"id": "jvasp-50867",
"created_at": "2022-09-04T14:37:14.397765Z",
"updated_at": "2022-09-04T14:37:14.397775Z",
"structure_string": "Lu2 H2 O4\n1.0\n3.377474 0.000000 0.000000\n0.000000 4.755962 0.000000\n0.000000 0.000000 5.345836\nLu H O\n2 2 4\ndirect\n0.000000 0.722205 0.984220 Lu\n0.499999 0.277794 0.484220 Lu\n0.499999 0.188681 0.962395 H\n0.000000 0.811319 0.462395 H\n0.499999 0.015218 0.850353 O\n0.000000 0.516782 0.625810 O\n0.000000 0.984782 0.350353 O\n0.499999 0.483217 0.125810 O\n",
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"volume": 85.87090139330385,
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"formula_full": "Lu2 H2 O4",
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"spacegroup": 31
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{
"id": "jvasp-11518",
"created_at": "2022-09-04T14:37:11.210667Z",
"updated_at": "2022-09-04T14:37:11.210687Z",
"structure_string": "V4 Zn2 O8\n1.0\n5.967440 -0.004955 -0.004514\n-2.979546 5.170890 0.006997\n-2.981497 -1.724658 4.873306\nV Zn O\n4 2 8\ndirect\n-0.000000 -0.000000 0.500000 V\n0.500000 -0.000000 0.500001 V\n0.500000 -0.000000 0.000000 V\n-0.000000 0.500000 0.500001 V\n0.749999 0.624997 0.875003 Zn\n0.250000 0.375002 0.124999 Zn\n0.480042 0.220053 0.740031 O\n0.980056 0.240036 0.720053 O\n0.519954 0.239999 0.259987 O\n0.980049 0.240031 0.260001 O\n0.480046 0.760000 0.740015 O\n0.019951 0.759968 0.740001 O\n0.519958 0.779947 0.259972 O\n0.019944 0.759963 0.279949 O\n",
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"elements": [
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{
"id": "jvasp-186",
"created_at": "2022-09-04T14:36:49.502180Z",
"updated_at": "2022-09-04T14:36:49.502209Z",
"structure_string": "Cr2 O4\n1.0\n2.861062 0.040286 -0.452485\n1.429212 2.520709 -0.012927\n-1.372182 0.842197 9.293010\nCr O\n2 4\ndirect\n-0.000720 -0.002252 0.497899 Cr\n0.000198 -0.001671 -0.002052 Cr\n0.470590 0.261637 0.604769 O\n0.195683 0.401094 0.891201 O\n0.527987 0.733873 0.391032 O\n0.804696 0.595563 0.104693 O\n",
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"formula_full": "Cr2 O4",
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{
"id": "jvasp-59568",
"created_at": "2022-09-04T14:37:42.310064Z",
"updated_at": "2022-09-04T14:37:42.310091Z",
"structure_string": "Mg2 V4 O8\n1.0\n5.168212 0.000000 2.983869\n1.722737 4.872638 2.983869\n-0.000000 -0.000000 5.967738\nMg V O\n2 4 8\ndirect\n0.875000 0.874999 0.875000 Mg\n0.125000 0.125000 0.125000 Mg\n0.500001 0.500000 0.500000 V\n0.500001 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500001 0.000000 0.500000 V\n0.740600 0.740599 0.740601 O\n0.259400 0.259400 0.721800 O\n0.259401 0.721798 0.259401 O\n0.721799 0.259400 0.259401 O\n0.740599 0.278202 0.740599 O\n0.278202 0.740599 0.740599 O\n0.259400 0.259400 0.259401 O\n0.740600 0.740599 0.278201 O\n",
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"density": 4.202836623787418,
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"volume": 150.28450876121178,
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"formula_full": "Mg2 V4 O8",
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"spacegroup": 227
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{
"id": "jvasp-18422",
"created_at": "2022-09-04T14:36:21.944615Z",
"updated_at": "2022-09-04T14:36:21.944644Z",
"structure_string": "Li3 Cu2 O4\n1.0\n2.728708 0.016324 -4.479346\n-0.329241 3.408865 -3.972644\n-0.052147 -0.023644 10.496863\nLi Cu O\n3 2 4\ndirect\n0.285271 0.785273 0.750001 Li\n0.283616 0.783617 0.250001 Li\n0.710658 0.210658 0.750000 Li\n0.005266 0.505268 0.750000 Cu\n0.998887 0.498886 0.250000 Cu\n0.342769 0.363008 0.986283 O\n0.635042 0.608403 0.983677 O\n0.641049 0.667692 0.516324 O\n0.390442 0.370206 0.513717 O\n",
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"density_atomic": 0.09315607643651917,
"volume": 96.61205521180375,
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"formula_full": "Li3 Cu2 O4",
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"spacegroup": 5
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{
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"created_at": "2022-09-04T14:36:41.946954Z",
"updated_at": "2022-09-04T14:36:41.946975Z",
"structure_string": "Cr2 O4\n1.0\n-2.503337 -1.459588 0.001167\n0.008108 2.862897 -0.445767\n-0.807485 1.395814 -9.292736\nCr O\n2 4\ndirect\n0.997438 -0.001490 0.502102 Cr\n0.998120 0.000967 0.002051 Cr\n0.732784 0.469851 0.395234 O\n0.596168 0.196432 0.108796 O\n0.262117 0.527218 0.608967 O\n0.400054 0.805459 0.895308 O\n",
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{
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"created_at": "2022-09-04T14:37:53.975608Z",
"updated_at": "2022-09-04T14:37:53.975626Z",
"structure_string": "Lu4 Mn4 O14\n1.0\n6.008631 -0.000000 3.469085\n2.002877 5.664992 3.469085\n-0.000000 -0.000000 6.938170\nLu Mn O\n4 4 14\ndirect\n0.499999 0.500001 0.500000 Lu\n0.000000 0.500001 0.500000 Lu\n0.499999 0.000000 0.500000 Lu\n0.499999 0.500001 0.000001 Lu\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.499999 0.000000 0.000000 Mn\n0.000000 0.500001 0.999999 Mn\n0.668430 0.081570 0.081569 O\n0.668430 0.081570 0.668432 O\n0.081570 0.668430 0.081569 O\n0.625000 0.624999 0.625002 O\n0.918431 0.331569 0.331570 O\n0.331569 0.918431 0.331570 O\n0.331569 0.331569 0.918432 O\n0.918431 0.918431 0.331570 O\n0.918431 0.331569 0.918432 O\n0.081570 0.668430 0.668432 O\n0.331569 0.918431 0.918432 O\n0.374999 0.375000 0.375001 O\n0.668431 0.668430 0.081571 O\n0.081570 0.081570 0.668430 O\n",
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"formula_full": "Lu4 Mn4 O14",
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{
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"created_at": "2022-09-04T14:38:14.640534Z",
"updated_at": "2022-09-04T14:38:14.640563Z",
"structure_string": "V4 Zn2 O8\n1.0\n5.967518 0.002662 -0.003430\n-0.002776 5.967915 -0.000532\n-2.979911 -2.984873 4.221957\nV Zn O\n4 2 8\ndirect\n-0.000000 0.500001 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500001 0.500001 V\n0.500000 0.500000 0.000000 V\n0.374981 0.124970 0.249967 Zn\n0.625019 0.875031 0.750034 Zn\n0.759994 0.279966 0.019997 O\n0.759998 0.740037 0.019993 O\n0.220057 0.740019 0.480028 O\n0.240028 0.259987 0.519970 O\n0.779943 0.259983 0.519973 O\n0.240002 0.259965 0.980008 O\n0.759973 0.740014 0.480032 O\n0.240006 0.720036 0.980004 O\n",
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{
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"created_at": "2022-09-04T14:38:33.567933Z",
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"structure_string": "Mg2 V4 O8\n1.0\n5.968039 0.000081 0.003492\n-2.983369 -5.167931 0.002098\n-2.980560 1.718038 -4.875857\nMg V O\n2 4 8\ndirect\n0.749999 0.874999 0.125002 Mg\n0.250002 0.125001 0.874999 Mg\n0.500000 0.000000 0.500001 V\n-0.000000 0.500000 0.500000 V\n-0.000000 0.500000 -0.000000 V\n0.500000 0.500000 0.500000 V\n0.518870 0.259435 0.740657 O\n0.018868 0.278214 0.259441 O\n0.018884 0.740671 0.259433 O\n0.481119 0.740547 0.721794 O\n0.981116 0.259329 0.740567 O\n0.518882 0.259453 0.278207 O\n0.481130 0.740565 0.259344 O\n0.981132 0.721786 0.740559 O\n",
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]
}