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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4528",
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{
"id": "jvasp-114461",
"created_at": "2022-09-04T14:38:40.858821Z",
"updated_at": "2022-09-04T14:38:40.858850Z",
"structure_string": "B2 Br1\n1.0\n3.233011 -0.026346 0.171114\n-1.600506 -3.106609 0.024008\n0.332727 -1.844958 -5.037590\nB Br\n2 1\ndirect\n0.731419 0.059233 0.426686 B\n0.223899 0.059854 0.426532 B\n0.865794 0.849981 0.822906 Br\n",
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"density_atomic": 0.058101691390938875,
"volume": 51.6336087329096,
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"formula_full": "B2 Br1",
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{
"id": "jvasp-114462",
"created_at": "2022-09-04T14:38:40.786247Z",
"updated_at": "2022-09-04T14:38:40.786278Z",
"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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"volume": 82.28577166908967,
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"formula_full": "B1 Br2",
"formula_reduced": "BBr2",
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"spacegroup": 1
},
{
"id": "jvasp-115480",
"created_at": "2022-09-04T14:38:50.298475Z",
"updated_at": "2022-09-04T14:38:50.298491Z",
"structure_string": "B2 Br2\n1.0\n5.438144 0.415854 0.553375\n-0.653265 -6.085429 -0.024879\n-1.564682 -0.667219 -2.721929\nB Br\n2 2\ndirect\n0.167533 0.047864 -0.037032 B\n0.361903 0.842185 0.260019 B\n0.533445 0.675213 0.014878 Br\n-0.004033 0.214822 0.208097 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "B-Br",
"density": 3.57649474991082,
"density_atomic": 0.04748532176334031,
"volume": 84.23655671820858,
"volume_molar": 12.682110042369393,
"formula_full": "B2 Br2",
"formula_reduced": "BBr",
"formula_anonymous": "AB",
"energy_above_hull": 1.722753344166667,
"spacegroup": 12
},
{
"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,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 3.48164448384603,
"density_atomic": 0.03347709099003935,
"volume": 238.96938961573127,
"volume_molar": 17.988841269965203,
"formula_full": "B2 Br6",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9336337245833332,
"spacegroup": 176
},
{
"id": "jvasp-16304",
"created_at": "2022-09-04T14:38:26.747135Z",
"updated_at": "2022-09-04T14:38:26.747156Z",
"structure_string": "B2 Au1\n1.0\n1.490465 -2.581560 0.000000\n1.490465 2.581560 -0.000000\n0.000000 0.000000 4.427732\nB Au\n2 1\ndirect\n0.666669 0.333335 0.500000 B\n0.333335 0.666669 0.500000 B\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
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"elements": [
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"Au"
],
"chemical_system": "Au-B",
"density": 10.652737296475584,
"density_atomic": 0.08804524929322467,
"volume": 34.07338867323598,
"volume_molar": 6.839824758680557,
"formula_full": "B2 Au1",
"formula_reduced": "B2Au",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-4708",
"created_at": "2022-09-04T14:37:54.820474Z",
"updated_at": "2022-09-04T14:37:54.820493Z",
"structure_string": "B2 Au1\n1.0\n1.490465 -2.581560 0.000000\n1.490465 2.581560 0.000000\n-0.000000 -0.000000 4.427732\nB Au\n2 1\ndirect\n0.666669 0.333335 0.500000 B\n0.333335 0.666669 0.500000 B\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
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"elements": [
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],
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"density": 10.652737296475584,
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"volume": 34.07338867323598,
"volume_molar": 6.839824758680557,
"formula_full": "B2 Au1",
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"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-37905",
"created_at": "2022-09-04T14:37:53.599750Z",
"updated_at": "2022-09-04T14:37:53.599766Z",
"structure_string": "B2 As2\n1.0\n1.694220 -2.934476 0.000000\n1.694220 2.934476 -0.000000\n0.000000 -0.000000 5.613945\nB As\n2 2\ndirect\n0.333333 0.666667 0.374522 B\n0.666667 0.333333 0.874522 B\n0.333333 0.666667 0.000478 As\n0.666667 0.333333 0.500478 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "As-B",
"density": 5.100662316463206,
"density_atomic": 0.0716574709027469,
"volume": 55.82111606239601,
"volume_molar": 8.404065457701144,
"formula_full": "B2 As2",
"formula_reduced": "BAs",
"formula_anonymous": "AB",
"energy_above_hull": 2.259777166666667,
"spacegroup": 186
},
{
"id": "jvasp-9166",
"created_at": "2022-09-04T14:37:10.059456Z",
"updated_at": "2022-09-04T14:37:10.059484Z",
"structure_string": "B12 As2\n1.0\n5.021419 -0.013676 1.787049\n1.256418 4.861713 1.787049\n-0.017709 -0.013676 5.329904\nB As\n12 2\ndirect\n0.015219 0.015219 0.325120 B\n0.015219 0.325120 0.015219 B\n0.822219 0.271714 0.822218 B\n0.822219 0.822217 0.271716 B\n0.271716 0.822217 0.822218 B\n0.728285 0.177781 0.177782 B\n0.177782 0.728283 0.177782 B\n0.177782 0.177781 0.728284 B\n0.984782 0.674878 0.984781 B\n0.984782 0.984779 0.674880 B\n0.674881 0.984779 0.984781 B\n0.325120 0.015219 0.015219 B\n0.601226 0.601224 0.601226 As\n0.398775 0.398774 0.398775 As\n",
"nsites": 14,
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"elements": [
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"chemical_system": "As-B",
"density": 3.558658073678119,
"density_atomic": 0.10731651370124577,
"volume": 130.45522554873568,
"volume_molar": 5.611569508085961,
"formula_full": "B12 As2",
"formula_reduced": "B6As",
"formula_anonymous": "AB6",
"energy_above_hull": 4.731905321428571,
"spacegroup": 166
},
{
"id": "jvasp-120817",
"created_at": "2022-09-04T14:38:52.121144Z",
"updated_at": "2022-09-04T14:38:52.121168Z",
"structure_string": "B3 As1\n1.0\n3.051027 0.027033 1.086846\n1.041404 -4.829059 0.075201\n-2.093177 -0.752476 -3.766753\nB As\n3 1\ndirect\n0.269586 0.917501 0.113576 B\n0.817838 0.846339 0.150065 B\n0.151539 0.731649 0.706692 B\n0.923048 0.406907 0.868185 As\n",
"nsites": 4,
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"elements": [
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"formula_full": "B3 As1",
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"formula_anonymous": "AB3",
"energy_above_hull": 4.031039875,
"spacegroup": 8
},
{
"id": "jvasp-7630",
"created_at": "2022-09-04T14:38:11.213335Z",
"updated_at": "2022-09-04T14:38:11.213367Z",
"structure_string": "B1 As1\n1.0\n2.949501 0.000000 1.702895\n0.983167 2.780816 1.702895\n0.000000 0.000000 3.405791\nB As\n1 1\ndirect\n0.250000 0.250000 0.249999 B\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
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"elements": [
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"density": 5.0963153957587215,
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"volume": 27.93436444292058,
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"spacegroup": 216
},
{
"id": "jvasp-123643",
"created_at": "2022-09-04T14:38:55.089236Z",
"updated_at": "2022-09-04T14:38:55.089260Z",
"structure_string": "Au1 Se2\n1.0\n2.124895 -3.469308 -0.077980\n1.942063 3.363750 -0.000000\n-0.094527 0.054575 4.873773\nAu Se\n1 2\ndirect\n-0.000000 0.333329 0.166667 Au\n0.746657 0.706662 0.466486 Se\n0.253341 -0.039996 0.866847 Se\n",
"nsites": 3,
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"elements": [
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"volume": 67.64040045628751,
"volume_molar": 13.578000420351056,
"formula_full": "Au1 Se2",
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"spacegroup": 12
},
{
"id": "jvasp-1423",
"created_at": "2022-09-04T14:35:52.036521Z",
"updated_at": "2022-09-04T14:35:52.036534Z",
"structure_string": "Au2 Se2\n1.0\n3.740361 0.000000 0.000000\n-1.870180 3.992624 -1.166465\n0.000000 0.016291 6.469971\nAu Se\n2 2\ndirect\n0.500000 -0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.840643 0.681285 0.267568 Se\n0.159357 0.318713 0.732432 Se\n",
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"density": 9.477176845399002,
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"volume": 96.69268703365852,
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"formula_full": "Au2 Se2",
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]
}