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{
"id": "jvasp-118809",
"created_at": "2022-09-04T14:38:29.246905Z",
"updated_at": "2022-09-04T14:38:29.246921Z",
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{
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"structure_string": "Pm2 Zn1 In1\n1.0\n4.601653 0.000000 2.656765\n1.533884 4.338480 2.656765\n-0.000000 0.000000 5.313531\nPm Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Pm\n0.749999 0.750000 0.750002 Pm\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500001 In\n",
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{
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"created_at": "2022-09-04T14:37:35.921783Z",
"updated_at": "2022-09-04T14:37:35.921803Z",
"structure_string": "Ru4 Br12\n1.0\n5.885764 0.000000 0.000000\n0.000000 6.451829 0.000000\n0.000000 0.000000 11.174192\nRu Br\n4 12\ndirect\n0.750004 0.250032 0.500000 Ru\n0.250005 0.749969 0.000000 Ru\n0.249995 0.250032 0.500000 Ru\n0.749995 0.749969 0.000000 Ru\n0.000000 0.934095 0.500000 Br\n0.500000 0.065905 0.000000 Br\n0.500000 0.565956 0.500000 Br\n0.000000 0.434045 0.000000 Br\n0.000000 0.407976 0.342021 Br\n0.500000 0.592025 0.157978 Br\n0.000000 0.407976 0.657978 Br\n0.500000 0.592025 0.842021 Br\n0.000000 0.907934 0.157969 Br\n0.500000 0.092066 0.342031 Br\n0.000000 0.907934 0.842031 Br\n0.500000 0.092066 0.657969 Br\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Br-Ru",
"density": 5.334379562720031,
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"volume": 424.32812854099546,
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"formula_full": "Ru4 Br12",
"formula_reduced": "RuBr3",
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"spacegroup": 193
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{
"id": "jvasp-123444",
"created_at": "2022-09-04T14:38:54.465424Z",
"updated_at": "2022-09-04T14:38:54.465459Z",
"structure_string": "Tb1 Zr1\n1.0\n1.685410 -2.919213 -0.000000\n1.685410 2.919213 0.000000\n0.000000 -0.000000 5.390273\nTb Zr\n1 1\ndirect\n0.666666 0.333333 0.250000 Tb\n0.333333 0.666666 0.750000 Zr\n",
"nsites": 2,
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"elements": [
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"density": 7.831345211298906,
"density_atomic": 0.03770664462561422,
"volume": 53.04104939216456,
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"formula_full": "Tb1 Zr1",
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"spacegroup": 187
},
{
"id": "jvasp-14103",
"created_at": "2022-09-04T14:37:29.449930Z",
"updated_at": "2022-09-04T14:37:29.449958Z",
"structure_string": "Ru2 Br6\n1.0\n3.225896 -5.587416 0.000000\n3.225896 5.587416 -0.000000\n-0.000000 -0.000000 5.885558\nRu Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.684059 0.000000 0.750000 Br\n0.684060 0.684060 0.250000 Br\n0.315941 0.000000 0.250000 Br\n0.315942 0.315942 0.750000 Br\n0.000000 0.684059 0.750000 Br\n0.000000 0.315941 0.250000 Br\n",
"nsites": 8,
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"elements": [
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"volume": 212.16757308012672,
"volume_molar": 15.971287372451373,
"formula_full": "Ru2 Br6",
"formula_reduced": "RuBr3",
"formula_anonymous": "AB3",
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"spacegroup": 193
},
{
"id": "jvasp-115107",
"created_at": "2022-09-04T14:38:43.185345Z",
"updated_at": "2022-09-04T14:38:43.185376Z",
"structure_string": "S1 I1 O1\n1.0\n3.078062 0.000000 -0.000000\n0.000000 3.078062 -0.000000\n-0.000000 0.000000 8.397745\nS I O\n1 1 1\ndirect\n0.000000 0.000000 0.793481 S\n0.000000 0.000000 0.372646 I\n0.000000 0.000000 -0.029088 O\n",
"nsites": 3,
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"elements": [
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"I",
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],
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"volume": 79.56414675699058,
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{
"id": "jvasp-18630",
"created_at": "2022-09-04T14:36:40.158489Z",
"updated_at": "2022-09-04T14:36:40.158507Z",
"structure_string": "Ba2 Zn4\n1.0\n4.600912 -0.000000 2.048917\n2.206756 5.618920 1.234865\n0.012697 0.015430 6.161698\nBa Zn\n2 4\ndirect\n0.750001 0.692117 0.807884 Ba\n0.250000 0.307884 0.192117 Ba\n0.576292 0.264473 0.582944 Zn\n0.423709 0.735527 0.417058 Zn\n0.076292 0.082943 0.764473 Zn\n0.923709 0.917057 0.235528 Zn\n",
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"volume": 159.12910446460748,
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"formula_full": "Ba2 Zn4",
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{
"id": "jvasp-80487",
"created_at": "2022-09-04T14:37:18.677491Z",
"updated_at": "2022-09-04T14:37:18.677519Z",
"structure_string": "Mg1 Sn3\n1.0\n3.434266 0.000000 -0.000000\n-1.717133 2.974160 -0.000000\n0.000000 0.000000 10.386373\nMg Sn\n1 3\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n0.666668 0.333333 0.732125 Sn\n0.666668 0.333333 0.267875 Sn\n",
"nsites": 4,
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"elements": [
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"volume": 106.08700134339149,
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},
{
"id": "jvasp-4969",
"created_at": "2022-09-04T14:38:35.530003Z",
"updated_at": "2022-09-04T14:38:35.530023Z",
"structure_string": "Pu1 Sb1\n1.0\n3.598063 -0.000000 -0.000000\n-0.000000 3.598063 0.000000\n-0.000000 -0.000000 4.097430\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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"density": 11.449756129806525,
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"formula_full": "Pu1 Sb1",
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"spacegroup": 123
},
{
"id": "jvasp-17554",
"created_at": "2022-09-04T14:38:30.792909Z",
"updated_at": "2022-09-04T14:38:30.792926Z",
"structure_string": "Pu1 Sb1\n1.0\n3.598046 -0.000000 0.000000\n-0.000000 3.598046 0.000000\n-0.000000 0.000000 4.097518\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.500001 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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],
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"volume": 53.04620176356064,
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},
{
"id": "jvasp-3960",
"created_at": "2022-09-04T14:36:36.016430Z",
"updated_at": "2022-09-04T14:36:36.016454Z",
"structure_string": "Rb2 Pd1 Cl6\n1.0\n6.030102 -0.000000 3.481481\n2.010034 5.685235 3.481481\n0.000000 0.000000 6.962963\nRb Pd Cl\n2 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pd\n0.238564 0.761436 0.761435 Cl\n0.238564 0.761436 0.238564 Cl\n0.761435 0.238565 0.761435 Cl\n0.761435 0.238565 0.238564 Cl\n0.761434 0.761436 0.238564 Cl\n0.238564 0.238565 0.761435 Cl\n",
"nsites": 9,
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"volume": 238.70810591662618,
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"formula_full": "Rb2 Pd1 Cl6",
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{
"id": "jvasp-91871",
"created_at": "2022-09-04T14:36:06.724705Z",
"updated_at": "2022-09-04T14:36:06.724713Z",
"structure_string": "Sr1 Mg7\n1.0\n6.832477 -0.000000 0.000000\n-3.416239 5.917098 -0.000000\n-0.000000 0.000000 5.248951\nSr Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Sr\n0.177901 0.838950 0.250000 Mg\n0.661051 0.322099 0.250000 Mg\n0.661051 0.838950 0.250000 Mg\n0.343686 0.156314 0.750000 Mg\n0.343686 0.687372 0.750000 Mg\n0.812629 0.156314 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n",
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