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{
"id": "jvasp-87305",
"created_at": "2022-09-04T14:35:49.384230Z",
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"structure_string": "Mg16 Si16 O48\n1.0\n5.511450 -0.000000 0.000000\n0.000000 8.124339 0.000000\n0.000000 0.000000 19.671819\nMg Si O\n16 16 48\ndirect\n0.963118 0.558075 0.117967 Mg\n0.462895 0.942599 0.367871 Mg\n0.463118 0.441925 0.382033 Mg\n0.036882 0.441925 0.882034 Mg\n0.037105 0.942599 0.867871 Mg\n0.536882 0.558075 0.617967 Mg\n0.463118 0.941925 0.117967 Mg\n0.537105 0.057401 0.632129 Mg\n0.036882 0.941925 0.617967 Mg\n0.962895 0.557401 0.367871 Mg\n0.536882 0.058075 0.882034 Mg\n0.462895 0.442599 0.132129 Mg\n0.037105 0.442599 0.632129 Mg\n0.537105 0.557401 0.867871 Mg\n0.962895 0.057401 0.132129 Mg\n0.963118 0.058075 0.382033 Mg\n0.254703 0.649779 0.008438 Si\n0.750314 0.349816 0.241747 Si\n0.250314 0.650184 0.258253 Si\n0.245297 0.149779 0.991562 Si\n0.749686 0.849816 0.758253 Si\n0.745297 0.350221 0.991562 Si\n0.745297 0.850221 0.508438 Si\n0.249686 0.650184 0.758253 Si\n0.754703 0.850221 0.008438 Si\n0.750314 0.849816 0.258253 Si\n0.749686 0.349816 0.741747 Si\n0.754703 0.350221 0.491562 Si\n0.254703 0.149779 0.491562 Si\n0.245297 0.649779 0.508438 Si\n0.250314 0.150184 0.241747 Si\n0.249686 0.150184 0.741747 Si\n0.257323 0.485014 0.555126 O\n0.242677 0.985014 0.444874 O\n0.748386 0.880810 0.177403 O\n0.003673 0.257157 0.962008 O\n0.758468 0.014750 0.804922 O\n0.258468 0.985250 0.695078 O\n0.744398 0.382290 0.072328 O\n0.755602 0.382290 0.572328 O\n0.503673 0.742843 0.537993 O\n0.242677 0.485014 0.055126 O\n0.755602 0.882290 0.927672 O\n0.758468 0.514750 0.695078 O\n0.996326 0.742843 0.037993 O\n0.241532 0.985250 0.195078 O\n0.496327 0.257157 0.462007 O\n0.757323 0.014986 0.555126 O\n0.258468 0.485250 0.804922 O\n0.748386 0.380810 0.322597 O\n0.741532 0.014750 0.304922 O\n0.742677 0.014986 0.055126 O\n0.490177 0.259013 0.212142 O\n0.257323 0.985014 0.944874 O\n0.757323 0.514986 0.944874 O\n0.241532 0.485250 0.304922 O\n0.009823 0.759013 0.787858 O\n0.255602 0.617710 0.927672 O\n0.244398 0.617710 0.427672 O\n0.003673 0.757157 0.537993 O\n0.741532 0.514750 0.195078 O\n0.744398 0.882290 0.427672 O\n0.251614 0.619190 0.677403 O\n0.251614 0.119190 0.822597 O\n0.990177 0.240987 0.212142 O\n0.490177 0.759013 0.287858 O\n0.248386 0.619190 0.177403 O\n0.751614 0.880810 0.677403 O\n0.244398 0.117710 0.072328 O\n0.248386 0.119190 0.322597 O\n0.509823 0.240987 0.712142 O\n0.742677 0.514986 0.444874 O\n0.255602 0.117710 0.572328 O\n0.496327 0.757157 0.037993 O\n0.503673 0.242843 0.962008 O\n0.009823 0.259013 0.712142 O\n0.509823 0.740987 0.787858 O\n0.990177 0.740987 0.287858 O\n0.996326 0.242843 0.462007 O\n0.751614 0.380810 0.822597 O\n",
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"density_atomic": 0.09082210400676255,
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{
"id": "jvasp-92560",
"created_at": "2022-09-04T14:35:49.401153Z",
"updated_at": "2022-09-04T14:35:49.401185Z",
"structure_string": "Th1 Co1 Si3\n1.0\n4.207399 0.000000 0.000000\n0.000000 4.207399 0.000000\n-2.103699 -2.103699 4.754176\nTh Co Si\n1 1 3\ndirect\n0.003496 0.003496 0.006990 Th\n0.664240 0.664240 0.328480 Co\n0.424209 0.424209 0.848418 Si\n0.761528 0.261528 0.523056 Si\n0.261528 0.761528 0.523056 Si\n",
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{
"id": "jvasp-97854",
"created_at": "2022-09-04T14:35:47.874141Z",
"updated_at": "2022-09-04T14:35:47.874158Z",
"structure_string": "Ag2 N2 O6\n1.0\n4.508827 -0.673828 5.488817\n1.340690 3.589556 5.025757\n0.311809 -0.116120 7.497970\nAg N O\n2 2 6\ndirect\n0.358130 0.545435 0.514501 Ag\n-0.647873 0.378100 0.157446 Ag\n0.806459 0.920896 0.458538 N\n-0.001231 -0.030100 0.676961 N\n0.929833 0.195523 0.181904 O\n0.651811 -0.165754 0.277741 O\n0.735243 -0.938621 0.766683 O\n0.506522 0.948069 -0.322719 O\n-0.031282 0.610453 0.540238 O\n-0.033808 0.809802 0.022507 O\n",
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{
"id": "jvasp-87120",
"created_at": "2022-09-04T14:35:57.645443Z",
"updated_at": "2022-09-04T14:35:57.645462Z",
"structure_string": "Ta2 Fe2 Te6\n1.0\n3.603695 0.000000 0.000000\n0.000000 7.143247 -2.546085\n0.000000 -0.112461 10.135439\nTa Fe Te\n2 2 6\ndirect\n0.250000 0.324916 0.295718 Ta\n0.750001 0.675085 0.704282 Ta\n0.750001 0.108852 0.087891 Fe\n0.250000 0.891149 0.912109 Fe\n0.750001 0.286403 0.503818 Te\n0.250000 0.713597 0.496182 Te\n0.750001 0.066687 0.820592 Te\n0.250000 0.933314 0.179408 Te\n0.250000 0.528779 0.844622 Te\n0.750001 0.471221 0.155378 Te\n",
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{
"id": "jvasp-12016",
"created_at": "2022-09-04T14:36:04.621390Z",
"updated_at": "2022-09-04T14:36:04.621415Z",
"structure_string": "Pd2 Se2 O6\n1.0\n4.716685 0.111629 -1.686936\n-0.639674 4.674390 -1.686782\n-0.145417 -0.170441 6.968985\nPd Se O\n2 2 6\ndirect\n0.499999 -0.000000 -0.000001 Pd\n0.000000 0.500000 -0.000000 Pd\n0.323082 0.323095 0.633447 Se\n0.676918 0.676905 0.366551 Se\n0.964713 0.571444 0.293294 O\n0.571435 0.964705 0.293290 O\n0.393813 0.393803 0.139917 O\n0.035285 0.428557 0.706705 O\n0.606187 0.606198 0.860082 O\n0.428563 0.035295 0.706710 O\n",
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"formula_full": "Pd2 Se2 O6",
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{
"id": "jvasp-12015",
"created_at": "2022-09-04T14:35:57.538272Z",
"updated_at": "2022-09-04T14:35:57.538288Z",
"structure_string": "Pd2 Se2 O6\n1.0\n3.930994 0.080999 0.000043\n-0.563576 5.957511 0.000292\n0.000049 0.000330 6.527084\nPd Se O\n2 2 6\ndirect\n-0.000000 -0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.454412 0.661074 0.750010 Se\n0.545586 0.338926 0.249989 Se\n0.282026 0.294878 0.041299 O\n0.286583 0.942548 0.750004 O\n0.717972 0.705122 0.958699 O\n0.717937 0.705138 0.541292 O\n0.713415 0.057452 0.249995 O\n0.282062 0.294862 0.458706 O\n",
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{
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"created_at": "2022-09-04T14:36:03.427448Z",
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"structure_string": "Ti2 Mn2 O6\n1.0\n6.557426 2.191146 7.716611\n-0.971520 2.097064 2.269127\n-4.381289 -4.441730 -2.393624\nTi Mn O\n2 2 6\ndirect\n0.256677 0.295238 0.680233 Ti\n0.743324 0.704762 0.319767 Ti\n0.772476 0.727307 0.885968 Mn\n0.227525 0.272693 0.114033 Mn\n0.206903 0.610282 0.420619 O\n0.421893 0.925856 0.058720 O\n0.897149 0.354877 0.200556 O\n0.793098 0.389719 0.579382 O\n0.578108 0.074144 0.941281 O\n0.102852 0.645124 0.799445 O\n",
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{
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"updated_at": "2022-09-04T14:35:49.565375Z",
"structure_string": "La3 Pb1 C1\n1.0\n5.229141 0.000000 -0.000000\n0.000000 5.229141 0.000000\n0.000000 0.000000 5.229141\nLa Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
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{
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"updated_at": "2022-09-04T14:35:57.467877Z",
"structure_string": "Sr1 Cu1 O3\n1.0\n3.872149 0.000000 -0.000000\n-0.000000 3.872149 -0.000000\n0.000000 -0.000000 3.872149\nSr Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
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"structure_string": "Ba1 Sn1 O3\n1.0\n4.173636 0.000000 -0.000000\n-0.000000 4.173636 -0.000000\n-0.000000 -0.000000 4.173636\nBa Sn O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Ba\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500001 0.000000 O\n0.000000 0.000000 0.500001 O\n0.500001 0.000000 0.000000 O\n",
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{
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{
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"created_at": "2022-09-04T14:35:57.325146Z",
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}
]
}