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{
"id": "jvasp-51140",
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"updated_at": "2022-09-04T14:37:05.258704Z",
"structure_string": "Mn1 Tc1 Pd1\n1.0\n-0.000000 2.845281 2.845281\n2.845281 0.000000 2.845281\n2.845281 2.845281 -0.000000\nMn Tc Pd\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Pd\n",
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{
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{
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"updated_at": "2022-09-04T14:37:04.922907Z",
"structure_string": "Li1 Mg1 Sn1 Pt1\n1.0\n3.972215 0.000000 2.293359\n1.324071 3.745040 2.293359\n0.000000 -0.000000 4.586719\nLi Mg Sn Pt\n1 1 1 1\ndirect\n0.750001 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pt\n",
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"formula_full": "Li1 Mg1 Sn1 Pt1",
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"spacegroup": 216
},
{
"id": "jvasp-51230",
"created_at": "2022-09-04T14:37:05.257391Z",
"updated_at": "2022-09-04T14:37:05.257409Z",
"structure_string": "Bi1 Mo1 Rh1\n1.0\n0.000000 3.172504 3.172504\n3.172504 -0.000000 3.172504\n3.172504 3.172504 0.000000\nBi Mo Rh\n1 1 1\ndirect\n0.499999 0.499999 0.499999 Bi\n0.749999 0.749999 0.749999 Mo\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
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"elements": [
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"density": 10.604430986146353,
"density_atomic": 0.04697693998861873,
"volume": 63.86111996070456,
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},
{
"id": "jvasp-51187",
"created_at": "2022-09-04T14:37:05.339700Z",
"updated_at": "2022-09-04T14:37:05.339739Z",
"structure_string": "Ca1 Ta2 Tl1\n1.0\n0.000000 3.492872 3.492872\n3.492872 0.000000 3.492872\n3.492872 3.492872 0.000000\nCa Ta Tl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ta\n0.750000 0.750000 0.750000 Ta\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
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"volume": 85.2271582517397,
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{
"id": "jvasp-13301",
"created_at": "2022-09-04T14:37:05.352543Z",
"updated_at": "2022-09-04T14:37:05.352573Z",
"structure_string": "Li1 Mn4 O8\n1.0\n5.730787 -0.000000 -0.000000\n2.865394 4.963007 -0.000000\n2.865394 1.654336 4.679169\nLi Mn O\n1 4 8\ndirect\n0.250000 0.250000 0.250000 Li\n0.121619 0.626127 0.626127 Mn\n0.626126 0.121621 0.626127 Mn\n0.626126 0.626127 0.121621 Mn\n0.626126 0.626127 0.626127 Mn\n0.387769 0.387770 0.387770 O\n0.387768 0.387771 0.836691 O\n0.387769 0.836692 0.387770 O\n0.836690 0.387770 0.387770 O\n0.416513 0.861163 0.861162 O\n0.861161 0.416516 0.861162 O\n0.861161 0.861163 0.416515 O\n0.861160 0.861163 0.861162 O\n",
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"density": 4.425559380042877,
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"volume": 133.08462521484904,
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"formula_full": "Li1 Mn4 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 216
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{
"id": "jvasp-8321",
"created_at": "2022-09-04T14:37:05.375580Z",
"updated_at": "2022-09-04T14:37:05.375589Z",
"structure_string": "Ca1 Fe1 W1 O6\n1.0\n4.606404 0.000047 2.659588\n1.535511 4.342945 2.659590\n0.000067 0.000050 5.319060\nCa Fe W O\n1 1 1 6\ndirect\n0.750000 0.750003 0.750002 Ca\n0.499998 0.500001 0.500002 Fe\n0.999997 -0.000000 0.999998 W\n0.254635 0.745373 0.745369 O\n0.254629 0.745371 0.254626 O\n0.745372 0.254634 0.745370 O\n0.254630 0.254628 0.745368 O\n0.745369 0.254628 0.254628 O\n0.745371 0.745374 0.254633 O\n",
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],
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"density": 5.863866842440627,
"density_atomic": 0.08457999555500105,
"volume": 106.40813990286203,
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"formula_full": "Ca1 Fe1 W1 O6",
"formula_reduced": "CaFeWO6",
"formula_anonymous": "ABCD6",
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"spacegroup": 216
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{
"id": "jvasp-76235",
"created_at": "2022-09-04T14:37:05.328896Z",
"updated_at": "2022-09-04T14:37:05.328929Z",
"structure_string": "Tb16 Mg4 Ir4\n1.0\n8.390647 0.000000 4.844342\n2.796883 7.910778 4.844342\n-0.000000 0.000000 9.688685\nTb Mg Ir\n16 4 4\ndirect\n0.811952 0.811952 0.188048 Tb\n0.040562 0.653146 0.653146 Tb\n0.653146 0.040562 0.653146 Tb\n0.188048 0.811952 0.188048 Tb\n0.436438 0.436438 0.063562 Tb\n0.436438 0.063562 0.436438 Tb\n0.063562 0.436438 0.436438 Tb\n0.188048 0.811952 0.811951 Tb\n0.063562 0.063562 0.436438 Tb\n0.811952 0.188048 0.188048 Tb\n0.063562 0.436438 0.063562 Tb\n0.653146 0.653146 0.653146 Tb\n0.653146 0.653146 0.040562 Tb\n0.436438 0.063562 0.063562 Tb\n0.188048 0.188048 0.811951 Tb\n0.811952 0.188048 0.811951 Tb\n0.420209 0.739374 0.420208 Mg\n0.739374 0.420209 0.420208 Mg\n0.420209 0.420209 0.420208 Mg\n0.420209 0.420209 0.739373 Mg\n0.858576 0.858576 0.858575 Ir\n0.858576 0.424273 0.858575 Ir\n0.424273 0.858576 0.858576 Ir\n0.858576 0.858576 0.424273 Ir\n",
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"volume": 643.1014426111298,
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{
"id": "jvasp-7728",
"created_at": "2022-09-04T14:37:05.428557Z",
"updated_at": "2022-09-04T14:37:05.428585Z",
"structure_string": "Ti1 Cu1 Hg2\n1.0\n4.032929 0.000000 2.328413\n1.344310 3.802282 2.328413\n-0.000000 0.000000 4.656826\nTi Cu Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"volume": 71.40932220890369,
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"formula_full": "Ti1 Cu1 Hg2",
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{
"id": "jvasp-51301",
"created_at": "2022-09-04T14:37:05.446964Z",
"updated_at": "2022-09-04T14:37:05.446986Z",
"structure_string": "Sr1 Mn1 Re2\n1.0\n-0.000015 3.223465 3.223472\n3.223479 -0.000008 3.223465\n3.223478 3.223457 -0.000007\nSr Mn Re\n1 1 2\ndirect\n0.250000 0.250001 0.250000 Sr\n0.500001 0.500001 0.499999 Mn\n0.999998 0.999999 0.000004 Re\n0.750000 0.750001 0.750001 Re\n",
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],
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},
{
"id": "jvasp-7715",
"created_at": "2022-09-04T14:37:05.470880Z",
"updated_at": "2022-09-04T14:37:05.470902Z",
"structure_string": "Y1 Ni1 Sb1\n1.0\n3.892974 -0.000000 2.247610\n1.297658 3.670332 2.247610\n0.000000 0.000000 4.495220\nY Ni Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sb\n",
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{
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"structure_string": "Si1 B1 Au1\n1.0\n-0.000000 2.826185 2.826185\n2.826185 0.000000 2.826185\n2.826185 2.826185 -0.000000\nSi B Au\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.500001 0.500001 0.500001 B\n0.000000 0.000000 0.000000 Au\n",
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}