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{
"id": "jvasp-120346",
"created_at": "2022-09-04T14:38:48.190739Z",
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"structure_string": "Sr1 Ta1 N2\n1.0\n1.620174 0.935408 5.874905\n-1.620174 0.935408 5.874905\n-0.000000 -1.870816 5.874905\nSr Ta N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ta\n0.768190 0.768190 0.768190 N\n0.231810 0.231810 0.231810 N\n",
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{
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"structure_string": "Li2 Br2\n1.0\n3.952426 -0.321994 -0.803995\n-2.005360 -3.421489 0.954184\n0.069554 -0.162816 -6.924498\nLi Br\n2 2\ndirect\n0.924372 0.006467 0.919606 Li\n0.424029 0.505860 0.419653 Li\n0.553675 0.383886 0.044953 Br\n0.053405 0.883326 0.544938 Br\n",
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{
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"structure_string": "Rb2 In1 Br1\n1.0\n-2.398984 9.881084 2.321139\n2.398984 -9.881084 2.321139\n2.398984 9.881084 -2.321139\nRb In Br\n2 1 1\ndirect\n0.162440 -0.000000 0.162440 Rb\n0.837559 -0.000000 0.837559 Rb\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-111334",
"created_at": "2022-09-04T14:38:48.063498Z",
"updated_at": "2022-09-04T14:38:48.063516Z",
"structure_string": "Ti3 Nb1\n1.0\n2.867977 0.021317 0.000000\n-1.056482 2.666382 0.000000\n-0.000000 -0.000000 8.999084\nTi Nb\n3 1\ndirect\n0.177869 0.822132 -0.000000 Ti\n0.781510 0.218492 0.753483 Ti\n0.781510 0.218492 0.246516 Ti\n0.259117 0.740884 0.500000 Nb\n",
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"formula_full": "Ti3 Nb1",
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},
{
"id": "jvasp-114049",
"created_at": "2022-09-04T14:38:48.071501Z",
"updated_at": "2022-09-04T14:38:48.071531Z",
"structure_string": "Ba1 Sb1 I2\n1.0\n4.339007 0.000000 0.000000\n0.000000 5.226241 0.000000\n0.000000 0.000000 7.086516\nBa Sb I\n1 1 2\ndirect\n0.500001 0.500000 0.739581 Ba\n0.000000 0.000000 0.549915 Sb\n0.000000 0.000000 0.958900 I\n0.500001 0.500000 0.251603 I\n",
"nsites": 4,
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"elements": [
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"volume": 160.69877103440191,
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"formula_full": "Ba1 Sb1 I2",
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"spacegroup": 25
},
{
"id": "jvasp-105145",
"created_at": "2022-09-04T14:38:48.082330Z",
"updated_at": "2022-09-04T14:38:48.082365Z",
"structure_string": "Dy1 Np1 Ru2\n1.0\n4.115891 -0.000000 2.376311\n1.371964 3.880499 2.376311\n-0.000000 -0.000000 4.752621\nDy Np Ru\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Np\n0.749999 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
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"elements": [
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],
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"volume": 75.90748867493684,
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"formula_full": "Dy1 Np1 Ru2",
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{
"id": "jvasp-113675",
"created_at": "2022-09-04T14:38:48.243572Z",
"updated_at": "2022-09-04T14:38:48.243597Z",
"structure_string": "Al1 P1 O2\n1.0\n2.637345 0.000000 0.000000\n0.000000 2.637345 0.000000\n-0.000000 0.000000 6.612316\nAl P O\n1 1 2\ndirect\n0.500000 0.500000 0.583529 Al\n0.000000 0.000000 0.064968 P\n0.000000 0.000000 0.516279 O\n0.500000 0.500000 0.845226 O\n",
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"volume": 45.992550113366384,
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"formula_full": "Al1 P1 O2",
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},
{
"id": "jvasp-109956",
"created_at": "2022-09-04T14:38:48.297136Z",
"updated_at": "2022-09-04T14:38:48.297167Z",
"structure_string": "Ga3 Au1\n1.0\n3.863139 -0.113987 -3.205355\n-0.923654 3.752826 -3.205355\n0.092079 0.113987 5.018931\nGa Au\n3 1\ndirect\n0.750000 0.250000 0.500001 Ga\n0.250001 0.750001 0.500002 Ga\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Au\n",
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},
{
"id": "jvasp-105153",
"created_at": "2022-09-04T14:38:48.124352Z",
"updated_at": "2022-09-04T14:38:48.124381Z",
"structure_string": "Cs1 Ca3\n1.0\n5.648419 -0.000000 3.261116\n1.882806 5.325380 3.261116\n-0.000000 -0.000000 6.522232\nCs Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
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"density": 2.142570800182131,
"density_atomic": 0.020388545293238157,
"volume": 196.18859229386004,
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},
{
"id": "jvasp-115666",
"created_at": "2022-09-04T14:38:48.134755Z",
"updated_at": "2022-09-04T14:38:48.134792Z",
"structure_string": "Ga1 Bi1 O2\n1.0\n1.792928 1.035147 6.696503\n-1.792928 1.035147 6.696503\n0.000000 -2.070295 6.696503\nGa Bi O\n1 1 2\ndirect\n0.500002 0.500002 0.499997 Ga\n0.000000 0.000000 0.000000 Bi\n0.395917 0.395917 0.395913 O\n0.604087 0.604087 0.604081 O\n",
"nsites": 4,
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],
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},
{
"id": "jvasp-113667",
"created_at": "2022-09-04T14:38:48.214282Z",
"updated_at": "2022-09-04T14:38:48.214310Z",
"structure_string": "Li2 Br2\n1.0\n3.865781 0.000000 -0.000000\n0.000000 3.865781 0.000000\n-0.000000 0.000000 5.474660\nLi Br\n2 2\ndirect\n0.000000 0.000000 0.249904 Li\n0.500000 0.500000 0.750096 Li\n0.000000 0.000000 0.750030 Br\n0.500000 0.500000 0.249970 Br\n",
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],
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"volume": 81.81475745195489,
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{
"id": "jvasp-111354",
"created_at": "2022-09-04T14:38:48.232360Z",
"updated_at": "2022-09-04T14:38:48.232383Z",
"structure_string": "Mn1 Co1 Ni1 Sn1\n1.0\n3.682743 0.000000 2.126232\n1.227581 3.472123 2.126233\n0.000000 -0.000000 4.252466\nMn Co Ni Sn\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.750000 Co\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Sn\n",
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