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{
"id": "jvasp-69474",
"created_at": "2022-09-04T14:36:05.744577Z",
"updated_at": "2022-09-04T14:36:05.744605Z",
"structure_string": "Sr2 Be1 Tc2\n1.0\n-3.026261 3.026261 3.503211\n3.026261 -3.026261 3.503211\n3.026261 3.026261 -3.503211\nSr Be Tc\n2 1 2\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Be\n0.657587 0.657587 0.000000 Tc\n0.342412 0.342412 0.000000 Tc\n",
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{
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"structure_string": "Sr2 Be1 Tl1\n1.0\n5.552737 0.000000 0.000000\n0.000000 5.552737 -0.000000\n-0.000000 0.000000 3.924415\nSr Be Tl\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500001 Be\n0.500000 0.500000 0.500001 Tl\n",
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{
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"structure_string": "Sr2 Be1 V1\n1.0\n-2.379811 2.379811 4.821290\n2.379811 -2.379811 4.821290\n2.379811 2.379811 -4.821290\nSr Be V\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 V\n",
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"volume": 109.22151129154283,
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{
"id": "jvasp-74456",
"created_at": "2022-09-04T14:36:05.068343Z",
"updated_at": "2022-09-04T14:36:05.068358Z",
"structure_string": "Sr2 Be1 W1\n1.0\n-2.659052 2.659052 3.760014\n2.659052 -2.659052 3.760014\n2.659052 2.659052 -3.760014\nSr Be W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.749999 0.250000 0.500000 Be\n0.250000 0.749999 0.500000 W\n",
"nsites": 4,
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"elements": [
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"density": 5.747812291836409,
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"volume": 106.34158133333031,
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"formula_full": "Sr2 Be1 W1",
"formula_reduced": "Sr2BeW",
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"spacegroup": 225
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{
"id": "jvasp-74253",
"created_at": "2022-09-04T14:35:59.330411Z",
"updated_at": "2022-09-04T14:35:59.330431Z",
"structure_string": "Sr2 Be1 Zn1\n1.0\n-2.697474 2.697474 3.811502\n2.697474 -2.697474 3.811502\n2.697474 2.697474 -3.811502\nSr Be Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Zn\n",
"nsites": 4,
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"elements": [
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"density": 3.7370545879622052,
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"volume": 110.93553395231416,
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"formula_full": "Sr2 Be1 Zn1",
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{
"id": "jvasp-18533",
"created_at": "2022-09-04T14:36:59.495015Z",
"updated_at": "2022-09-04T14:36:59.495041Z",
"structure_string": "Sr4 Bi2\n1.0\n4.905336 0.000000 -1.337372\n-0.364616 4.891766 -1.337372\n0.014179 0.015275 9.716815\nSr Bi\n4 2\ndirect\n0.500000 -0.000000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.323141 0.323142 0.646283 Sr\n0.676859 0.676860 0.353717 Sr\n0.135746 0.135746 0.271491 Bi\n0.864254 0.864255 0.728509 Bi\n",
"nsites": 6,
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"volume": 233.36273756215235,
"volume_molar": 23.422387562303676,
"formula_full": "Sr4 Bi2",
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{
"id": "jvasp-59144",
"created_at": "2022-09-04T14:38:32.436114Z",
"updated_at": "2022-09-04T14:38:32.436133Z",
"structure_string": "Sr8 Bi12\n1.0\n6.653830 -0.000000 0.000000\n-0.000000 6.867713 0.000000\n0.000000 0.000000 15.648182\nSr Bi\n8 12\ndirect\n0.940099 0.000000 0.250000 Sr\n0.559901 0.500000 0.250000 Sr\n0.059901 0.000000 0.750000 Sr\n0.440099 0.500000 0.750000 Sr\n0.750000 0.750000 0.000133 Sr\n0.750000 0.250000 0.499867 Sr\n0.250000 0.250000 0.999867 Sr\n0.250000 0.750000 0.500133 Sr\n0.578900 0.936149 0.653512 Bi\n0.578900 0.063851 0.846487 Bi\n0.078900 0.563850 0.153513 Bi\n0.078900 0.436149 0.346487 Bi\n0.421100 0.063851 0.346487 Bi\n0.750000 0.250000 0.069546 Bi\n0.250000 0.750000 0.930454 Bi\n0.250000 0.250000 0.569546 Bi\n0.921100 0.563850 0.653512 Bi\n0.750000 0.750000 0.430454 Bi\n0.421100 0.936149 0.153513 Bi\n0.921100 0.436149 0.846487 Bi\n",
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"density": 7.4513307470498935,
"density_atomic": 0.027969343225419364,
"volume": 715.0686320665338,
"volume_molar": 21.531219776826582,
"formula_full": "Sr8 Bi12",
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"formula_anonymous": "A2B3",
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"spacegroup": 52
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{
"id": "jvasp-40299",
"created_at": "2022-09-04T14:37:54.074902Z",
"updated_at": "2022-09-04T14:37:54.074921Z",
"structure_string": "Sr2 Bi1 Au1\n1.0\n0.000000 3.975490 3.975490\n3.975490 -0.000000 3.975490\n3.975490 3.975490 -0.000000\nSr Bi Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 Sr\n0.750000 0.750000 0.750000 Bi\n0.250001 0.250001 0.250001 Au\n",
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"elements": [
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"density": 7.68003101644595,
"density_atomic": 0.031831565609783286,
"volume": 125.66142831412031,
"volume_molar": 18.91877023525705,
"formula_full": "Sr2 Bi1 Au1",
"formula_reduced": "Sr2BiAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-55622",
"created_at": "2022-09-04T14:37:14.835289Z",
"updated_at": "2022-09-04T14:37:14.835313Z",
"structure_string": "Sr8 B4 N8 Cl4\n1.0\n4.161049 -0.000000 0.000000\n-0.000000 9.268974 0.000000\n0.000000 0.000000 12.428391\nSr B N Cl\n8 4 8 4\ndirect\n0.250000 0.882013 0.587069 Sr\n0.250000 0.617986 0.087069 Sr\n0.750000 0.382014 0.912931 Sr\n0.750000 0.117986 0.412931 Sr\n0.750000 0.942194 0.829958 Sr\n0.250000 0.057806 0.170042 Sr\n0.250000 0.442194 0.670042 Sr\n0.750000 0.557805 0.329958 Sr\n0.250000 0.828243 0.333969 B\n0.750000 0.171756 0.666031 B\n0.750000 0.328244 0.166031 B\n0.250000 0.671756 0.833969 B\n0.750000 0.301130 0.714074 N\n0.250000 0.698870 0.285926 N\n0.250000 0.801129 0.785926 N\n0.750000 0.462225 0.122904 N\n0.750000 0.037775 0.622904 N\n0.250000 0.962224 0.377096 N\n0.250000 0.537775 0.877096 N\n0.750000 0.198870 0.214074 N\n0.250000 0.145109 0.937721 Cl\n0.750000 0.854890 0.062279 Cl\n0.250000 0.354891 0.437721 Cl\n0.750000 0.645109 0.562279 Cl\n",
"nsites": 24,
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"elements": [
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"volume": 479.34632460612926,
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"formula_full": "Sr8 B4 N8 Cl4",
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"formula_anonymous": "ABC2D2",
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"spacegroup": 62
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{
"id": "jvasp-45249",
"created_at": "2022-09-04T14:38:04.669517Z",
"updated_at": "2022-09-04T14:38:04.669542Z",
"structure_string": "Sr8 B4 N8 F4\n1.0\n3.907777 0.000000 0.000000\n0.000000 9.894139 0.000000\n0.000000 0.000000 10.238087\nSr B N F\n8 4 8 4\ndirect\n0.250000 0.677379 0.019529 Sr\n0.750001 0.822622 0.519529 Sr\n0.250000 0.177379 0.480472 Sr\n0.750001 0.322622 0.980472 Sr\n0.250000 0.526126 0.660904 Sr\n0.750001 0.473874 0.339096 Sr\n0.250000 0.026126 0.839096 Sr\n0.750001 0.973874 0.160904 Sr\n0.250000 0.228634 0.172917 B\n0.750001 0.771366 0.827083 B\n0.250000 0.728634 0.327083 B\n0.750001 0.271366 0.672917 B\n0.250000 0.647252 0.433394 N\n0.750001 0.352748 0.566606 N\n0.250000 0.147252 0.066606 N\n0.750001 0.182970 0.771133 N\n0.250000 0.317030 0.271133 N\n0.750001 0.682970 0.728868 N\n0.250000 0.817030 0.228868 N\n0.750001 0.852748 0.933395 N\n0.250000 0.453739 0.898396 F\n0.750001 0.546261 0.101604 F\n0.750001 0.046261 0.398396 F\n0.250000 0.953739 0.601604 F\n",
"nsites": 24,
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"density": 3.9107086229597545,
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"volume": 395.84630510467997,
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"formula_full": "Sr8 B4 N8 F4",
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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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"spacegroup": 139
},
{
"id": "jvasp-1978",
"created_at": "2022-09-04T14:36:07.159504Z",
"updated_at": "2022-09-04T14:36:07.159532Z",
"structure_string": "Sr2 Br1 N1\n1.0\n3.806815 0.007422 6.648678\n1.774409 3.367992 6.648678\n0.012271 0.007422 7.661371\nSr Br N\n2 1 1\ndirect\n0.772322 0.772321 0.772324 Sr\n0.227678 0.227677 0.227678 Sr\n0.000000 0.000000 0.000000 Br\n0.500000 0.499999 0.500001 N\n",
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"volume": 97.75354312020312,
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}
]
}