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{
"id": "jvasp-101260",
"created_at": "2022-09-04T14:36:46.985386Z",
"updated_at": "2022-09-04T14:36:46.985406Z",
"structure_string": "Mn2 O4\n1.0\n2.684107 -0.095670 8.592417\n1.231093 2.387048 8.592417\n-0.163468 -0.095670 9.000408\nMn O\n2 4\ndirect\n0.499999 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Mn\n0.630700 0.630702 0.630702 O\n0.202622 0.202622 0.202623 O\n0.797377 0.797378 0.797379 O\n0.369298 0.369299 0.369299 O\n",
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{
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"structure_string": "Yb1 Mg3\n1.0\n4.423840 -0.237768 -2.766185\n-1.480336 4.175583 -2.766185\n0.177731 0.237768 5.214456\nYb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.000000 Mg\n0.750000 0.250000 0.500001 Mg\n0.249999 0.749999 0.500001 Mg\n",
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{
"id": "jvasp-100608",
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"structure_string": "Mg4 Sc2\n1.0\n6.002869 0.010404 1.566353\n5.164878 3.059178 1.566353\n-0.003424 -0.000941 7.560071\nMg Sc\n4 2\ndirect\n0.196456 0.196456 0.857903 Mg\n0.860170 0.860168 0.530789 Mg\n0.139832 0.139832 0.469210 Mg\n0.803545 0.803544 0.142096 Mg\n0.476383 0.476382 0.805659 Sc\n0.523619 0.523618 0.194340 Sc\n",
"nsites": 6,
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"elements": [
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"density": 2.244526636195024,
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"spacegroup": 12
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{
"id": "jvasp-18429",
"created_at": "2022-09-04T14:36:47.116152Z",
"updated_at": "2022-09-04T14:36:47.116167Z",
"structure_string": "Fe2 O4\n1.0\n3.553047 0.168556 -3.681604\n-0.460745 3.527077 -3.681604\n-0.141039 -0.168556 5.114535\nFe O\n2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.750002 0.250000 0.500002 Fe\n0.960546 0.460546 0.500003 O\n0.789458 0.789457 0.000004 O\n0.210545 0.210545 0.000002 O\n0.539457 0.039457 0.500002 O\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Fe-O",
"density": 4.841515124917169,
"density_atomic": 0.09957317050490518,
"volume": 60.257195483239414,
"volume_molar": 6.047955216715066,
"formula_full": "Fe2 O4",
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"spacegroup": 141
},
{
"id": "jvasp-105583",
"created_at": "2022-09-04T14:36:47.116737Z",
"updated_at": "2022-09-04T14:36:47.116756Z",
"structure_string": "Ti1 O2\n1.0\n2.748918 -0.072228 3.908126\n1.183962 2.481935 3.908126\n-0.117884 -0.072228 4.776620\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.261319 0.261317 0.261319 O\n0.738684 0.738680 0.738683 O\n",
"nsites": 3,
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"elements": [
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"density": 3.831175711841355,
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"formula_full": "Ti1 O2",
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},
{
"id": "jvasp-4189",
"created_at": "2022-09-04T14:36:49.262678Z",
"updated_at": "2022-09-04T14:36:49.262700Z",
"structure_string": "Fe1 Cl2\n1.0\n3.392415 0.025117 5.189027\n1.564408 3.010273 5.189027\n0.041016 0.025117 6.199419\nFe Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.746591 0.746590 0.746588 Cl\n0.253411 0.253411 0.253410 Cl\n",
"nsites": 3,
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],
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"volume": 62.19187291821728,
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"formula_full": "Fe1 Cl2",
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{
"id": "jvasp-234",
"created_at": "2022-09-04T14:36:49.279435Z",
"updated_at": "2022-09-04T14:36:49.279455Z",
"structure_string": "Ni2 O4\n1.0\n-2.440945 -1.427377 -0.008201\n0.004561 2.795471 -0.424821\n-0.797890 1.416760 -9.094531\nNi O\n2 4\ndirect\n-0.001137 -0.000327 0.502015 Ni\n-0.003299 -0.000194 0.002135 Ni\n0.736317 0.474627 0.393542 O\n0.592525 0.191416 0.110698 O\n0.261376 0.524722 0.610496 O\n0.400897 0.808195 0.893571 O\n",
"nsites": 6,
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"spacegroup": 166
},
{
"id": "jvasp-104542",
"created_at": "2022-09-04T14:36:49.282441Z",
"updated_at": "2022-09-04T14:36:49.282471Z",
"structure_string": "Na6 O3\n1.0\n6.117273 -0.000000 0.000000\n-3.058636 5.297714 0.000000\n-0.000000 -0.000000 3.599753\nNa O\n6 3\ndirect\n0.413950 0.000000 -0.000000 Na\n0.260180 0.260181 0.500000 Na\n-0.000001 0.739819 0.500000 Na\n-0.000000 0.413950 -0.000000 Na\n0.739819 0.000000 0.500000 Na\n0.586049 0.586049 -0.000000 Na\n0.333333 0.666666 0.500000 O\n0.000000 0.000000 0.000000 O\n0.666666 0.333333 0.500000 O\n",
"nsites": 9,
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"elements": [
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"volume": 116.65922146210416,
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"formula_full": "Na6 O3",
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"spacegroup": 189
},
{
"id": "jvasp-14982",
"created_at": "2022-09-04T14:36:49.324202Z",
"updated_at": "2022-09-04T14:36:49.324224Z",
"structure_string": "Np1 O2\n1.0\n3.302591 0.000000 1.906752\n1.100864 3.113713 1.906752\n0.000000 0.000000 3.813504\nNp O\n1 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.749999 0.749999 0.749999 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
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"elements": [
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"volume": 39.2154839758977,
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},
{
"id": "jvasp-102459",
"created_at": "2022-09-04T14:36:49.394946Z",
"updated_at": "2022-09-04T14:36:49.394978Z",
"structure_string": "Bi3 Au1\n1.0\n4.836971 0.000000 0.000000\n0.000000 4.836971 0.000000\n0.000000 0.000000 4.836971\nBi Au\n3 1\ndirect\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 -0.000000 Bi\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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},
{
"id": "jvasp-100610",
"created_at": "2022-09-04T14:36:49.363295Z",
"updated_at": "2022-09-04T14:36:49.363308Z",
"structure_string": "Na3 Yb1\n1.0\n5.342430 0.000000 -0.000000\n0.000000 5.342430 0.000000\n-0.000000 0.000000 5.342430\nYb Na\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n",
"nsites": 4,
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},
{
"id": "jvasp-99925",
"created_at": "2022-09-04T14:36:49.402158Z",
"updated_at": "2022-09-04T14:36:49.402190Z",
"structure_string": "Tc1 Pt1\n1.0\n2.639521 0.000808 4.041684\n1.203466 2.349200 4.041684\n0.001322 0.000808 4.827244\nTc Pt\n1 1\ndirect\n0.500000 0.500001 0.499998 Tc\n0.000000 0.000000 0.000000 Pt\n",
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"volume": 29.910663279623535,
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