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"results": [
{
"id": "jvasp-114471",
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"updated_at": "2022-09-04T14:38:42.066130Z",
"structure_string": "B1 Br2\n1.0\n6.622026 0.000000 2.801613\n0.000000 3.937885 0.000000\n1.768174 0.000000 5.040142\nB Br\n1 2\ndirect\n0.003307 0.000000 0.207666 B\n-0.122471 0.000000 -0.009639 Br\n0.346260 0.000000 -0.009805 Br\n",
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{
"id": "jvasp-114462",
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"structure_string": "B1 Br2\n1.0\n3.937706 -0.280176 0.394636\n0.518596 -5.867513 0.184436\n-1.351410 0.253110 -3.722997\nB Br\n1 2\ndirect\n0.054292 0.876172 0.946264 B\n0.157072 0.549256 0.939770 Br\n0.593194 0.019561 0.533874 Br\n",
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{
"id": "jvasp-114470",
"created_at": "2022-09-04T14:38:41.164071Z",
"updated_at": "2022-09-04T14:38:41.164089Z",
"structure_string": "B1 Br2\n1.0\n4.033825 0.000000 0.000000\n0.000000 3.853084 0.000000\n0.000000 0.000000 6.927600\nB Br\n1 2\ndirect\n0.288971 0.000000 0.000000 B\n0.055515 0.000000 0.763439 Br\n0.055515 0.000000 0.236562 Br\n",
"nsites": 3,
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"volume": 107.6733769046999,
"volume_molar": 21.614141060821193,
"formula_full": "B1 Br2",
"formula_reduced": "BBr2",
"formula_anonymous": "AB2",
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"spacegroup": 25
},
{
"id": "jvasp-114467",
"created_at": "2022-09-04T14:38:41.124750Z",
"updated_at": "2022-09-04T14:38:41.124783Z",
"structure_string": "B1 Br3\n1.0\n6.369184 0.000000 -0.000000\n-3.184592 5.515875 0.000000\n-0.000000 0.000000 4.018956\nB Br\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.300307 0.000000 0.000000 Br\n1.000000 0.300307 0.000000 Br\n0.699693 0.699694 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"density": 2.9463561238734917,
"density_atomic": 0.028330127474420944,
"volume": 141.192446225721,
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"formula_full": "B1 Br3",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
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"spacegroup": 189
},
{
"id": "jvasp-114473",
"created_at": "2022-09-04T14:38:41.901921Z",
"updated_at": "2022-09-04T14:38:41.901957Z",
"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "B-Br",
"density": 3.4276034592347093,
"density_atomic": 0.032957469786179486,
"volume": 121.36854030212525,
"volume_molar": 18.27246083837828,
"formula_full": "B1 Br3",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
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"spacegroup": 8
},
{
"id": "jvasp-173",
"created_at": "2022-09-04T14:36:45.754861Z",
"updated_at": "2022-09-04T14:36:45.754886Z",
"structure_string": "B2 Br6\n1.0\n3.201310 -5.544831 0.000000\n3.201309 5.544831 0.000000\n0.000000 0.000000 6.731259\nB Br\n2 6\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.044689 0.361042 0.250000 Br\n0.683647 0.044689 0.750000 Br\n0.361042 0.316353 0.750000 Br\n0.638958 0.683647 0.250000 Br\n0.316353 0.955311 0.250000 Br\n0.955311 0.638958 0.750000 Br\n",
"nsites": 8,
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"elements": [
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"density": 3.48164448384603,
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"volume": 238.96938961573127,
"volume_molar": 17.988841269965203,
"formula_full": "B2 Br6",
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"spacegroup": 176
},
{
"id": "jvasp-115477",
"created_at": "2022-09-04T14:38:48.526185Z",
"updated_at": "2022-09-04T14:38:48.526211Z",
"structure_string": "B2 Br2 N2\n1.0\n2.648200 0.000000 0.000000\n0.000000 3.094928 0.000000\n0.000000 0.000000 10.611844\nB Br N\n2 2 2\ndirect\n0.500001 0.000000 0.012732 B\n0.000000 0.500001 0.987268 B\n0.500001 0.500001 0.657733 Br\n0.000000 0.000000 0.342266 Br\n0.500001 0.500001 0.061734 N\n0.000000 0.000000 0.938265 N\n",
"nsites": 6,
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"elements": [
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"density": 3.9987438810877327,
"density_atomic": 0.06898569787375752,
"volume": 86.97454957953579,
"volume_molar": 8.729549668426056,
"formula_full": "B2 Br2 N2",
"formula_reduced": "BBrN",
"formula_anonymous": "ABC",
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"spacegroup": 59
},
{
"id": "jvasp-115479",
"created_at": "2022-09-04T14:38:49.194436Z",
"updated_at": "2022-09-04T14:38:49.194466Z",
"structure_string": "B1 Br1 N1\n1.0\n2.613982 0.000000 0.000000\n0.000000 5.455845 0.000000\n0.000000 0.000000 4.122332\nB Br N\n1 1 1\ndirect\n0.000000 0.000000 -0.013406 B\n0.500000 0.500000 0.486785 Br\n0.500000 0.000000 -0.013380 N\n",
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"density": 2.957863984343787,
"density_atomic": 0.05102860229200367,
"volume": 58.790557946951814,
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"formula_full": "B1 Br1 N1",
"formula_reduced": "BBrN",
"formula_anonymous": "ABC",
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"spacegroup": 47
},
{
"id": "jvasp-115474",
"created_at": "2022-09-04T14:38:50.036711Z",
"updated_at": "2022-09-04T14:38:50.036727Z",
"structure_string": "B1 Br1 N1\n1.0\n3.982786 -0.000000 -0.000000\n-1.991393 3.449194 0.000000\n0.000000 0.000000 3.301693\nB Br N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333334 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 N\n",
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"density": 3.8339328173635243,
"density_atomic": 0.06614240343269466,
"volume": 45.3566826166628,
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"formula_full": "B1 Br1 N1",
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-115476",
"created_at": "2022-09-04T14:38:28.512450Z",
"updated_at": "2022-09-04T14:38:28.512482Z",
"structure_string": "B1 Br1 N2\n1.0\n2.667285 0.000000 0.000000\n0.000000 2.667285 0.000000\n0.000000 0.000000 6.085138\nB Br N\n1 1 2\ndirect\n0.499999 0.499999 0.573918 B\n0.000000 0.000000 0.154063 Br\n0.000000 0.000000 0.479064 N\n0.499999 0.499999 0.802956 N\n",
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"volume": 43.29216220388356,
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"formula_full": "B1 Br1 N2",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-37915",
"created_at": "2022-09-04T14:38:06.284589Z",
"updated_at": "2022-09-04T14:38:06.284619Z",
"structure_string": "B2 C2\n1.0\n1.300592 -2.252692 0.000000\n1.300592 2.252692 -0.000000\n-0.000000 0.000000 4.647008\nB C\n2 2\ndirect\n0.333332 0.666666 0.019395 B\n0.666666 0.333332 0.519395 B\n0.333332 0.666666 0.355606 C\n0.666666 0.333332 0.855606 C\n",
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{
"id": "jvasp-90862",
"created_at": "2022-09-04T14:36:08.134239Z",
"updated_at": "2022-09-04T14:36:08.134256Z",
"structure_string": "B2 C4 N2\n1.0\n4.277244 -0.836559 -0.559129\n-0.658461 4.281994 0.734822\n-0.765139 0.592398 4.148796\nB C N\n2 4 2\ndirect\n0.281095 0.209842 0.197021 B\n0.459829 0.031107 0.552993 B\n0.459076 0.552042 0.031947 C\n0.963936 0.539731 0.548123 C\n0.789737 0.713931 0.201869 C\n0.802045 0.209072 0.718049 C\n0.953791 0.040486 0.036973 N\n0.290489 0.703788 0.713023 N\n",
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]
}