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{
"id": "jvasp-121281",
"created_at": "2022-09-04T14:38:55.064201Z",
"updated_at": "2022-09-04T14:38:55.064225Z",
"structure_string": "As2 Br2\n1.0\n7.263084 0.732093 1.220139\n0.163514 -3.185413 0.930965\n-1.868601 0.066955 -5.306275\nAs Br\n2 2\ndirect\n0.007564 0.285011 0.118027 As\n0.627772 0.197880 -0.057374 As\n0.095055 0.529296 0.609892 Br\n0.540297 0.953594 0.450769 Br\n",
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{
"id": "jvasp-121286",
"created_at": "2022-09-04T14:38:55.331451Z",
"updated_at": "2022-09-04T14:38:55.331478Z",
"structure_string": "As2 Br1\n1.0\n5.643158 -1.745592 1.317174\n-1.427541 -3.308361 -1.299019\n-0.884728 -4.265055 -4.901628\nAs Br\n2 1\ndirect\n0.731676 0.094675 0.242952 As\n0.506046 0.962050 0.620526 As\n0.118938 0.028149 0.931798 Br\n",
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{
"id": "jvasp-121282",
"created_at": "2022-09-04T14:38:55.519914Z",
"updated_at": "2022-09-04T14:38:55.519931Z",
"structure_string": "As1 Br2\n1.0\n3.940117 0.000000 0.000000\n0.000000 3.443482 0.000000\n0.000000 0.000000 7.376445\nAs Br\n1 2\ndirect\n0.393863 0.000000 0.000000 As\n0.003069 0.000000 0.743738 Br\n0.003069 0.000000 0.256262 Br\n",
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"formula_full": "As1 Br2",
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"spacegroup": 25
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{
"id": "jvasp-121276",
"created_at": "2022-09-04T14:38:55.334252Z",
"updated_at": "2022-09-04T14:38:55.334280Z",
"structure_string": "As1 Br5\n1.0\n6.004367 0.000000 0.000000\n0.000000 7.901222 0.000000\n0.000000 0.000000 7.743883\nAs Br\n1 5\ndirect\n0.815214 0.000000 0.500000 As\n0.718829 0.000000 0.183595 Br\n0.743364 0.684691 0.500000 Br\n0.743364 0.315309 0.500000 Br\n0.204628 0.000000 0.500000 Br\n0.718829 0.000000 0.816405 Br\n",
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"volume": 367.3840322179682,
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"formula_full": "As1 Br5",
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"formula_anonymous": "AB5",
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"spacegroup": 25
},
{
"id": "jvasp-4255",
"created_at": "2022-09-04T14:37:39.070416Z",
"updated_at": "2022-09-04T14:37:39.070445Z",
"structure_string": "As4 Br12\n1.0\n4.122976 0.000000 0.000000\n0.000000 10.214315 0.000000\n0.000000 0.000000 12.210577\nAs Br\n4 12\ndirect\n0.491049 0.303717 0.288711 As\n-0.008951 0.196282 0.711290 As\n0.508952 0.803717 0.211289 As\n0.008951 0.696282 0.788711 As\n0.779853 0.135584 0.384415 Br\n0.279853 0.364416 0.615585 Br\n0.220148 0.635584 0.115585 Br\n0.720148 0.864416 0.884415 Br\n0.758492 0.488084 0.368662 Br\n0.258492 0.011916 0.631338 Br\n0.241508 0.988084 0.131338 Br\n0.741509 0.511916 0.868662 Br\n0.782251 0.300589 0.118073 Br\n0.282250 0.199411 0.881927 Br\n0.217750 0.800588 0.381927 Br\n0.717751 0.699411 0.618073 Br\n",
"nsites": 16,
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"elements": [
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"density": 4.064039757456962,
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"volume": 514.2286155113044,
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"formula_full": "As4 Br12",
"formula_reduced": "AsBr3",
"formula_anonymous": "AB3",
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"spacegroup": 19
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{
"id": "jvasp-121280",
"created_at": "2022-09-04T14:38:54.501220Z",
"updated_at": "2022-09-04T14:38:54.501251Z",
"structure_string": "As1 Br2\n1.0\n5.567577 0.000000 -0.250068\n0.000000 3.457701 0.000000\n0.899312 0.000000 5.501531\nAs Br\n1 2\ndirect\n0.349735 0.000000 0.016704 As\n-0.223897 0.000000 -0.059718 Br\n0.274162 0.000000 0.443014 Br\n",
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"spacegroup": 38
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{
"id": "jvasp-121284",
"created_at": "2022-09-04T14:38:54.517611Z",
"updated_at": "2022-09-04T14:38:54.517639Z",
"structure_string": "As1 Br2\n1.0\n5.583784 0.312411 0.154729\n-0.924738 -3.350317 0.408359\n-0.335982 -2.363062 -5.065362\nAs Br\n1 2\ndirect\n0.088476 0.041961 0.986967 As\n0.533042 0.240807 0.034583 Br\n0.041081 0.240981 0.542747 Br\n",
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"spacegroup": 44
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{
"id": "jvasp-121279",
"created_at": "2022-09-04T14:38:54.451288Z",
"updated_at": "2022-09-04T14:38:54.451314Z",
"structure_string": "As2 Br1\n1.0\n5.419127 0.000000 0.000000\n0.000000 2.952405 0.000000\n0.000000 0.000000 5.708470\nAs Br\n2 1\ndirect\n-0.033318 0.000000 0.788194 As\n-0.033318 0.000000 0.211807 As\n0.466636 0.000000 0.000000 Br\n",
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"formula_full": "As2 Br1",
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"spacegroup": 47
},
{
"id": "jvasp-121277",
"created_at": "2022-09-04T14:38:54.424794Z",
"updated_at": "2022-09-04T14:38:54.424826Z",
"structure_string": "As2 Br1\n1.0\n7.365721 0.000000 -0.939115\n0.000000 2.800189 0.000000\n-0.471927 0.000000 3.711862\nAs Br\n2 1\ndirect\n-0.151995 0.000000 -0.175522 As\n0.085276 0.000000 0.442401 As\n0.466719 0.000000 0.133120 Br\n",
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"spacegroup": 65
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{
"id": "jvasp-121274",
"created_at": "2022-09-04T14:38:54.990799Z",
"updated_at": "2022-09-04T14:38:54.990825Z",
"structure_string": "As1 Br1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nAs Br\n1 1\ndirect\n0.000000 0.000000 0.883711 As\n0.000000 0.000000 0.116289 Br\n",
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"volume": 580.8841193146079,
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"spacegroup": 99
},
{
"id": "jvasp-10550",
"created_at": "2022-09-04T14:37:08.319185Z",
"updated_at": "2022-09-04T14:37:08.319211Z",
"structure_string": "Rb6 B2 As4\n1.0\n6.536916 0.010376 1.759937\n-0.218245 6.533280 1.759937\n0.005040 0.005219 9.622857\nRb B As\n6 2 4\ndirect\n0.848640 0.151361 0.750000 Rb\n0.151361 0.848640 0.250000 Rb\n0.243827 0.349306 0.982671 Rb\n0.650696 0.756173 0.517330 Rb\n0.756174 0.650695 0.017329 Rb\n0.349306 0.243827 0.482671 Rb\n0.784861 0.215140 0.250000 B\n0.215140 0.784861 0.750000 B\n0.908136 0.347106 0.357289 As\n0.652895 0.091865 0.142711 As\n0.347106 0.908136 0.857290 As\n0.091865 0.652895 0.642711 As\n",
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"volume": 410.87007546071584,
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{
"id": "jvasp-3783",
"created_at": "2022-09-04T14:36:03.516159Z",
"updated_at": "2022-09-04T14:36:03.516191Z",
"structure_string": "Ca3 As1 Br3\n1.0\n5.898946 0.000000 0.000000\n0.000000 5.898946 0.000000\n0.000000 0.000000 5.898946\nCa As Br\n3 1 3\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 As\n0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n",
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"spacegroup": 221
}
]
}