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{
"id": "jvasp-71074",
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"updated_at": "2022-09-04T14:35:59.810787Z",
"structure_string": "Sr2 Be1 Bi1\n1.0\n4.735517 0.000000 0.000000\n0.000000 4.735517 0.000000\n0.000000 0.000000 6.647835\nSr Be Bi\n2 1 1\ndirect\n-0.000000 0.000000 0.875158 Sr\n0.500000 0.500000 0.374844 Sr\n-0.000000 0.000000 0.375167 Be\n0.500000 0.500000 0.874829 Bi\n",
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{
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{
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"structure_string": "Sr2 Be1 Bi1\n1.0\n3.819524 0.000000 0.000000\n0.000000 3.819524 -0.000000\n-0.000000 0.000000 9.105522\nSr Be Bi\n2 1 1\ndirect\n0.000000 0.000000 0.937256 Sr\n0.500000 0.500000 0.323405 Sr\n0.000000 0.000000 0.556140 Be\n0.500000 0.500000 0.683200 Bi\n",
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{
"id": "jvasp-57797",
"created_at": "2022-09-04T14:37:33.425679Z",
"updated_at": "2022-09-04T14:37:33.425691Z",
"structure_string": "Sr2 B8 O14\n1.0\n4.259757 0.000000 0.000000\n0.000000 4.449962 0.000000\n0.000000 0.000000 10.772780\nSr B O\n2 8 14\ndirect\n0.500593 0.288914 0.500000 Sr\n0.000593 0.711086 0.000000 Sr\n0.006390 0.321623 0.750974 B\n0.506390 0.678377 0.749026 B\n0.030320 0.826042 0.621511 B\n0.530320 0.173957 0.878489 B\n0.530320 0.173957 0.121511 B\n0.030320 0.826042 0.378489 B\n0.506390 0.678377 0.250974 B\n0.006390 0.321623 0.249026 B\n0.425142 0.273338 0.000000 O\n0.925142 0.726662 0.500000 O\n0.959102 0.143242 0.358840 O\n0.459101 0.856757 0.141160 O\n0.363392 0.367654 0.777498 O\n0.863392 0.632345 0.722502 O\n0.866930 0.225846 0.135650 O\n0.363392 0.367654 0.222502 O\n0.366930 0.774154 0.635650 O\n0.366930 0.774154 0.364350 O\n0.866930 0.225846 0.864350 O\n0.959102 0.143242 0.641160 O\n0.863392 0.632345 0.277498 O\n0.459101 0.856757 0.858840 O\n",
"nsites": 24,
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"elements": [
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"density": 3.949715439705762,
"density_atomic": 0.11752826452829114,
"volume": 204.2061975161964,
"volume_molar": 5.123993606278739,
"formula_full": "Sr2 B8 O14",
"formula_reduced": "SrB4O7",
"formula_anonymous": "AB4C7",
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"spacegroup": 31
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{
"id": "jvasp-52941",
"created_at": "2022-09-04T14:36:37.711988Z",
"updated_at": "2022-09-04T14:36:37.712000Z",
"structure_string": "Sr2 B5 H2 O11\n1.0\n4.021415 4.054197 -3.124082\n-4.021415 4.054197 3.124082\n0.016811 0.000000 6.378080\nSr B H O\n2 5 2 11\ndirect\n0.838086 0.243831 0.086048 Sr\n0.243831 0.838087 0.913951 Sr\n0.749860 0.897658 0.743962 B\n0.897658 0.749860 0.256038 B\n0.653373 0.653373 0.500000 B\n0.809460 0.336791 0.496091 B\n0.336790 0.809460 0.503909 B\n0.301481 0.373652 0.744883 H\n0.373652 0.301482 0.255117 H\n0.497522 0.911251 0.665483 O\n0.911251 0.497523 0.334516 O\n0.899464 0.899464 -0.000000 O\n0.799668 0.693057 0.737061 O\n0.401203 0.690197 0.416209 O\n0.108137 0.825012 0.450104 O\n0.825012 0.108137 0.549896 O\n0.690197 0.401203 0.583791 O\n0.386151 0.243313 0.916092 O\n0.693057 0.799668 0.262939 O\n0.243313 0.386151 0.083908 O\n",
"nsites": 20,
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"elements": [
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"density": 3.2454581664922575,
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"volume": 208.39728452404893,
"volume_molar": 6.274988907027961,
"formula_full": "Sr2 B5 H2 O11",
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"formula_anonymous": "A2B2C5D11",
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"spacegroup": 5
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{
"id": "jvasp-22373",
"created_at": "2022-09-04T14:37:51.994134Z",
"updated_at": "2022-09-04T14:37:51.994155Z",
"structure_string": "Sr2 B4 Rh5\n1.0\n5.029032 0.000000 2.395333\n2.514516 5.054770 1.197667\n0.080535 0.000000 6.307839\nSr B Rh\n2 4 5\ndirect\n0.143753 0.000000 0.712495 Sr\n0.856247 0.000000 0.287504 Sr\n0.207252 0.328311 0.257185 B\n0.792749 0.671689 0.742815 B\n0.464438 0.328311 0.742815 B\n0.535564 0.671689 0.257185 B\n0.500000 0.000000 -0.000000 Rh\n0.500000 0.500000 -0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.250001 0.500000 0.500000 Rh\n0.750000 0.500000 0.500000 Rh\n",
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"elements": [
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"chemical_system": "B-Rh-Sr",
"density": 7.637347635542759,
"density_atomic": 0.06902006416161892,
"volume": 159.37394630990426,
"volume_molar": 8.725203074135692,
"formula_full": "Sr2 B4 Rh5",
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"formula_anonymous": "A2B4C5",
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"spacegroup": 69
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{
"id": "jvasp-86987",
"created_at": "2022-09-04T14:35:48.677090Z",
"updated_at": "2022-09-04T14:35:48.677111Z",
"structure_string": "Sr2 B4 Rh4\n1.0\n5.411870 0.015867 -1.482961\n-2.844788 4.603887 -1.482961\n-0.013872 -0.024964 6.140899\nSr B Rh\n2 4 4\ndirect\n0.875000 0.125001 0.250000 Sr\n0.125001 0.875001 0.750001 Sr\n0.547473 0.452528 0.250000 B\n0.797474 0.202528 0.750001 B\n0.202527 0.797474 0.250000 B\n0.452528 0.547474 0.750001 B\n0.505956 0.755956 0.511912 Rh\n0.755955 0.505956 0.011912 Rh\n0.494045 0.244046 0.488089 Rh\n0.244046 0.494046 0.988090 Rh\n",
"nsites": 10,
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"elements": [
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"density": 6.843962466020082,
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"volume": 152.8815557206753,
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"formula_full": "Sr2 B4 Rh4",
"formula_reduced": "Sr(BRh)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 70
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{
"id": "jvasp-21451",
"created_at": "2022-09-04T14:38:31.132166Z",
"updated_at": "2022-09-04T14:38:31.132192Z",
"structure_string": "Sr2 B4 Ir4\n1.0\n5.433096 0.006193 -1.492458\n-2.842905 4.629953 -1.492458\n-0.007826 -0.014008 6.188154\nSr B Ir\n2 4 4\ndirect\n0.875000 0.124999 0.249999 Sr\n0.125000 0.874999 0.749999 Sr\n0.549397 0.450602 0.249999 B\n0.799397 0.200602 0.749999 B\n0.200603 0.799396 0.249999 B\n0.450603 0.549396 0.749999 B\n0.506350 0.756349 0.512699 Ir\n0.756350 0.506349 0.012699 Ir\n0.493650 0.243649 0.487299 Ir\n0.243650 0.493649 0.987299 Ir\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "B-Ir-Sr",
"density": 10.540606231643231,
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"volume": 155.54480761872148,
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"formula_full": "Sr2 B4 Ir4",
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},
{
"id": "jvasp-114505",
"created_at": "2022-09-04T14:38:41.853856Z",
"updated_at": "2022-09-04T14:38:41.853882Z",
"structure_string": "Sr2 B1 O3\n1.0\n-1.850175 1.850175 8.239535\n1.850175 -1.850175 8.239535\n1.850175 1.850175 -8.239535\nSr B O\n2 1 3\ndirect\n0.628856 0.628856 0.000000 Sr\n0.371144 0.371144 0.000000 Sr\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 O\n0.079574 0.079574 0.000000 O\n0.920426 0.920426 0.000000 O\n",
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"volume": 112.82057555499303,
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"formula_full": "Sr2 B1 O3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 139
},
{
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"created_at": "2022-09-04T14:36:10.916773Z",
"updated_at": "2022-09-04T14:36:10.916804Z",
"structure_string": "Sr2 B1 Br1 N2\n1.0\n8.962485 -2.057158 0.012915\n8.962485 2.057158 0.012915\n8.485218 0.000000 3.543907\nSr B Br N\n2 1 1 2\ndirect\n0.751369 0.751369 0.751367 Sr\n0.248632 0.248632 0.248631 Sr\n0.500001 0.500001 0.499999 B\n0.000000 0.000000 0.000000 Br\n0.550495 0.550495 0.550493 N\n0.449506 0.449506 0.449505 N\n",
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"volume": 130.22890863192978,
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"formula_full": "Sr2 B1 Br1 N2",
"formula_reduced": "Sr2BBrN2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 166
},
{
"id": "jvasp-95038",
"created_at": "2022-09-04T14:36:10.721957Z",
"updated_at": "2022-09-04T14:36:10.721983Z",
"structure_string": "Sr2 B1 Br1 N2\n1.0\n-2.057078 -3.562962 0.000000\n2.057078 -3.562962 0.000000\n-0.000000 -2.375308 8.883991\nSr B Br N\n2 1 1 2\ndirect\n0.248629 0.248629 0.254111 Sr\n0.751371 0.751371 0.745889 Sr\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Br\n0.449509 0.449509 0.651472 N\n0.550491 0.550491 0.348528 N\n",
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"formula_full": "Sr2 B1 Br1 N2",
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"spacegroup": 166
},
{
"id": "jvasp-62459",
"created_at": "2022-09-04T14:36:05.540581Z",
"updated_at": "2022-09-04T14:36:05.540615Z",
"structure_string": "Sr2 Au4 O8\n1.0\n-3.119701 3.119701 5.134970\n3.119701 -3.119701 5.134970\n3.119701 3.119701 -5.134970\nSr Au O\n2 4 8\ndirect\n0.125000 0.875000 0.750000 Sr\n0.875000 0.125000 0.250000 Sr\n0.500000 0.500000 0.000000 Au\n0.500000 -0.000000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.500000 0.000000 Au\n0.477931 0.293746 0.118623 O\n0.175122 0.859307 0.381376 O\n0.293746 0.175122 0.315815 O\n0.859307 0.477931 0.184185 O\n0.522069 0.706254 0.881376 O\n0.824878 0.140693 0.618623 O\n0.706254 0.824878 0.684185 O\n0.140692 0.522069 0.815814 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Au-O-Sr",
"density": 9.06338428752877,
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"formula_full": "Sr2 Au4 O8",
"formula_reduced": "Sr(AuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4369807785714284,
"spacegroup": 88
}
]
}