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{
"id": "jvasp-120920",
"created_at": "2022-09-04T14:38:54.703761Z",
"updated_at": "2022-09-04T14:38:54.703803Z",
"structure_string": "V1 Br1 O2\n1.0\n2.806551 0.000000 0.000000\n0.000000 2.806551 0.000000\n0.000000 0.000000 8.256205\nV Br O\n1 1 2\ndirect\n0.500001 0.500001 0.584800 V\n0.000000 0.000000 0.117542 Br\n0.000000 0.000000 0.530584 O\n0.500001 0.500001 0.777076 O\n",
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"formula_full": "V1 Br1 O2",
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{
"id": "jvasp-120918",
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"updated_at": "2022-09-04T14:38:52.643340Z",
"structure_string": "Tl1 Br1 O1\n1.0\n3.308780 0.000000 0.000000\n0.000000 3.308780 0.000000\n-0.000000 0.000000 5.853205\nTl Br O\n1 1 1\ndirect\n0.500001 0.500001 0.000000 Tl\n0.500001 0.500001 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-120917",
"created_at": "2022-09-04T14:38:53.915224Z",
"updated_at": "2022-09-04T14:38:53.915249Z",
"structure_string": "Tl1 Br4 O1\n1.0\n-4.244674 4.244673 2.063918\n4.244674 -4.244673 2.063918\n4.244673 4.244674 -2.063918\nTl Br O\n1 4 1\ndirect\n-0.017685 -0.017685 -0.000000 Tl\n0.118706 0.654185 0.808656 Br\n0.845528 0.310050 0.191344 Br\n0.654184 0.845528 0.535478 Br\n0.310050 0.118706 0.464521 Br\n0.482313 0.482313 -0.000000 O\n",
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"elements": [
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"density": 6.0283825195164145,
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"volume": 148.74453211292635,
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"formula_full": "Tl1 Br4 O1",
"formula_reduced": "TlBr4O",
"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-120913",
"created_at": "2022-09-04T14:38:54.660742Z",
"updated_at": "2022-09-04T14:38:54.660767Z",
"structure_string": "Mn1 H1 Br1\n1.0\n4.356018 -0.000000 0.000000\n-2.178009 3.772422 -0.000000\n-0.000000 -0.000000 3.500350\nMn H Br\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Mn\n0.333335 0.666667 0.000000 H\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Br-H-Mn",
"density": 3.921816650625325,
"density_atomic": 0.052155468209597294,
"volume": 57.520334932933466,
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"formula_full": "Mn1 H1 Br1",
"formula_reduced": "MnHBr",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-120912",
"created_at": "2022-09-04T14:38:54.403646Z",
"updated_at": "2022-09-04T14:38:54.403677Z",
"structure_string": "Li1 H1 Br1\n1.0\n4.676589 0.000000 0.000000\n-0.000000 4.676589 0.000000\n0.000000 0.000000 6.058843\nLi H Br\n1 1 1\ndirect\n0.000000 0.000000 -0.012301 Li\n0.000000 0.000000 0.687262 H\n0.000000 0.000000 0.371660 Br\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Br-H-Li",
"density": 1.1009238764077782,
"density_atomic": 0.022639829305872893,
"volume": 132.50983297925237,
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"formula_full": "Li1 H1 Br1",
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"spacegroup": 99
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{
"id": "jvasp-120910",
"created_at": "2022-09-04T14:38:54.843841Z",
"updated_at": "2022-09-04T14:38:54.843869Z",
"structure_string": "Ge1 Br3\n1.0\n6.694770 -0.019466 0.512337\n-0.146543 -6.715605 0.517803\n-1.390913 3.080177 -3.282812\nGe Br\n1 3\ndirect\n0.605518 0.164052 0.122636 Ge\n0.933877 0.037445 0.159943 Br\n0.605512 0.376692 0.835186 Br\n0.277136 0.708687 0.503495 Br\n",
"nsites": 4,
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"elements": [
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"density": 3.9316564694059055,
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"volume": 131.9221815452807,
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"formula_full": "Ge1 Br3",
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"formula_anonymous": "AB3",
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"spacegroup": 44
},
{
"id": "jvasp-12091",
"created_at": "2022-09-04T14:36:38.227444Z",
"updated_at": "2022-09-04T14:36:38.227473Z",
"structure_string": "Au4 Se4 O14\n1.0\n4.000428 0.000000 0.000000\n0.000000 7.022152 0.000000\n0.000000 0.000000 11.579313\nAu Se O\n4 4 14\ndirect\n0.499864 0.193123 0.064695 Au\n0.499864 0.306876 0.564695 Au\n0.499864 0.693123 0.435304 Au\n0.499864 0.806876 0.935304 Au\n0.232127 0.106866 0.326707 Se\n0.232127 0.893134 0.673292 Se\n0.232127 0.393134 0.826707 Se\n0.232127 0.606865 0.173292 Se\n0.488393 0.965062 0.789411 O\n0.488393 0.034938 0.210588 O\n0.569617 0.839386 0.582679 O\n0.810479 0.500000 0.500000 O\n0.569617 0.339386 0.917320 O\n0.488393 0.465062 0.710588 O\n0.488393 0.534937 0.289411 O\n0.139960 0.377049 0.126466 O\n0.139960 0.622951 0.873533 O\n0.139960 0.122951 0.626466 O\n0.139960 0.877049 0.373534 O\n0.810479 0.000000 0.000000 O\n0.569617 0.660614 0.082680 O\n0.569617 0.160614 0.417320 O\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Au-O-Se",
"density": 6.7778020405702595,
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"volume": 325.28158517216707,
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"formula_full": "Au4 Se4 O14",
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"formula_anonymous": "A2B2C7",
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"spacegroup": 32
},
{
"id": "jvasp-120909",
"created_at": "2022-09-04T14:38:54.329312Z",
"updated_at": "2022-09-04T14:38:54.329342Z",
"structure_string": "Ge1 Br1\n1.0\n5.350556 0.234007 -0.502433\n2.087298 -2.492820 -0.512525\n1.713292 -2.028404 -4.314798\nGe Br\n1 1\ndirect\n0.460962 0.082939 0.509996 Ge\n0.961065 0.082755 0.009910 Br\n",
"nsites": 2,
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"elements": [
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"density": 4.702017453473165,
"density_atomic": 0.03712530282486054,
"volume": 53.87161444675739,
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"formula_full": "Ge1 Br1",
"formula_reduced": "GeBr",
"formula_anonymous": "AB",
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"spacegroup": 47
},
{
"id": "jvasp-120905",
"created_at": "2022-09-04T14:38:49.643641Z",
"updated_at": "2022-09-04T14:38:49.643665Z",
"structure_string": "Ge2 Br2\n1.0\n3.803565 0.000000 0.000000\n-0.000000 3.803565 0.000000\n0.000000 0.000000 7.963215\nGe Br\n2 2\ndirect\n0.000000 0.000000 0.467874 Ge\n0.499999 0.499999 0.532123 Ge\n0.000000 0.000000 0.171372 Br\n0.499999 0.499999 0.828629 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Br-Ge",
"density": 4.397482269629671,
"density_atomic": 0.03472081134160092,
"volume": 115.20468115350114,
"volume_molar": 17.344470152932576,
"formula_full": "Ge2 Br2",
"formula_reduced": "GeBr",
"formula_anonymous": "AB",
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"spacegroup": 129
},
{
"id": "jvasp-120902",
"created_at": "2022-09-04T14:38:53.885881Z",
"updated_at": "2022-09-04T14:38:53.885909Z",
"structure_string": "Ge1 Br1\n1.0\n4.041354 -0.000000 -0.000000\n0.000000 4.041354 0.000000\n0.000000 0.000000 3.326652\nGe Br\n1 1\ndirect\n0.499999 0.499999 0.000000 Ge\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-120900",
"created_at": "2022-09-04T14:38:54.117664Z",
"updated_at": "2022-09-04T14:38:54.117691Z",
"structure_string": "Ge2 Br1\n1.0\n6.139670 0.000000 -0.026181\n0.000000 3.211981 0.000000\n0.016367 0.000000 4.308033\nGe Br\n2 1\ndirect\n-0.141192 0.000000 -0.033710 Ge\n0.080995 0.000000 0.466381 Ge\n0.460197 0.000000 -0.032671 Br\n",
"nsites": 3,
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"volume": 84.95795571274084,
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"formula_full": "Ge2 Br1",
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"spacegroup": 25
},
{
"id": "jvasp-12090",
"created_at": "2022-09-04T14:37:04.412282Z",
"updated_at": "2022-09-04T14:37:04.412305Z",
"structure_string": "Nb2 Cr2 Se10\n1.0\n3.552150 0.000000 0.000000\n0.000000 8.291907 -4.067649\n0.000000 -0.071740 10.485808\nNb Cr Se\n2 2 10\ndirect\n0.750000 0.734959 0.637685 Nb\n0.250000 0.265041 0.362315 Nb\n0.250000 0.573961 0.897769 Cr\n0.750000 0.426039 0.102231 Cr\n0.750000 0.480964 0.363938 Se\n0.250000 0.638145 0.152117 Se\n0.250000 0.519036 0.636062 Se\n0.750000 0.163756 0.497448 Se\n0.250000 0.836244 0.502552 Se\n0.250000 0.977082 0.759056 Se\n0.250000 0.223028 0.084297 Se\n0.750000 0.022919 0.240944 Se\n0.750000 0.776972 0.915703 Se\n0.750000 0.361855 0.847883 Se\n",
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],
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"volume": 307.8134466318915,
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"formula_anonymous": "ABC5",
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