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{
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"results": [
{
"id": "jvasp-117827",
"created_at": "2022-09-04T14:38:28.847173Z",
"updated_at": "2022-09-04T14:38:28.847198Z",
"structure_string": "Br1 O2\n1.0\n4.813982 0.000000 -0.103437\n0.000000 3.032427 0.000000\n-0.071868 0.000000 3.940404\nBr O\n1 2\ndirect\n0.583552 0.000000 -0.039566 Br\n-0.141533 0.000000 -0.469023 O\n-0.042019 0.000000 -0.091411 O\n",
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{
"id": "jvasp-117829",
"created_at": "2022-09-04T14:38:28.903590Z",
"updated_at": "2022-09-04T14:38:28.903613Z",
"structure_string": "Br1 O2\n1.0\n3.895527 0.025752 -0.171392\n0.204703 -3.448923 -0.150781\n1.275828 -2.673088 -3.177453\nBr O\n1 2\ndirect\n-0.104382 0.157506 0.932853 Br\n0.451544 0.044867 0.239956 O\n0.865205 0.195437 0.534227 O\n",
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"formula_full": "Br1 O2",
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"spacegroup": 1
},
{
"id": "jvasp-11783",
"created_at": "2022-09-04T14:37:01.817178Z",
"updated_at": "2022-09-04T14:37:01.817198Z",
"structure_string": "Na8 W2 N4 O4\n1.0\n5.870083 0.011829 -0.010713\n2.055656 5.529214 0.009567\n2.845947 0.078898 8.460167\nNa W N O\n8 2 4 4\ndirect\n0.242026 0.763371 0.983017 Na\n0.757974 0.236628 0.016983 Na\n0.053754 0.759738 0.403590 Na\n0.946246 0.240262 0.596411 Na\n0.479184 0.741377 0.553151 Na\n0.520816 0.258623 0.446850 Na\n0.612893 0.722378 0.186834 Na\n0.387107 0.277621 0.813167 Na\n0.159803 0.282185 0.235059 W\n0.840197 0.717815 0.764942 W\n0.297805 0.037930 0.360275 N\n0.157643 0.542598 0.645522 N\n0.842357 0.457402 0.354479 N\n0.702195 0.962070 0.639726 N\n0.640416 0.511380 0.816448 O\n0.150502 0.158204 0.051971 O\n0.359584 0.488620 0.183553 O\n0.849498 0.841796 0.948030 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "N-Na-O-W",
"density": 4.062148434021618,
"density_atomic": 0.06556226130447537,
"volume": 274.5481873544117,
"volume_molar": 9.185376831395107,
"formula_full": "Na8 W2 N4 O4",
"formula_reduced": "Na4W(NO)2",
"formula_anonymous": "AB2C2D4",
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"spacegroup": 2
},
{
"id": "jvasp-117830",
"created_at": "2022-09-04T14:38:50.378615Z",
"updated_at": "2022-09-04T14:38:50.378643Z",
"structure_string": "Br1 O2\n1.0\n4.534152 0.000000 0.000000\n0.000000 2.684434 0.000000\n0.000000 0.000000 3.509185\nBr O\n1 2\ndirect\n0.133342 0.000000 0.000000 Br\n-0.366671 0.000000 0.321751 O\n-0.366671 0.000000 0.678249 O\n",
"nsites": 3,
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"elements": [
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"density": 4.350458005288275,
"density_atomic": 0.07023703737717553,
"volume": 42.71250770287886,
"volume_molar": 8.574024453310692,
"formula_full": "Br1 O2",
"formula_reduced": "BrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5693103683333338,
"spacegroup": 47
},
{
"id": "jvasp-117833",
"created_at": "2022-09-04T14:38:52.259816Z",
"updated_at": "2022-09-04T14:38:52.259843Z",
"structure_string": "Br3 O1\n1.0\n5.147701 0.542589 0.200728\n-5.711489 -6.597580 0.473459\n0.800292 3.343187 -3.683712\nBr O\n3 1\ndirect\n0.122855 0.077924 -0.101180 Br\n0.475606 0.731695 0.277526 Br\n0.061657 -0.263346 -0.134958 Br\n0.021290 0.488888 0.845451 O\n",
"nsites": 4,
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"elements": [
"Br",
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"chemical_system": "Br-O",
"density": 4.123460648727926,
"density_atomic": 0.03884388486949259,
"volume": 102.97631180401167,
"volume_molar": 15.503446115735196,
"formula_full": "Br3 O1",
"formula_reduced": "Br3O",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5762114537499999,
"spacegroup": 1
},
{
"id": "jvasp-117835",
"created_at": "2022-09-04T14:38:52.278812Z",
"updated_at": "2022-09-04T14:38:52.278839Z",
"structure_string": "P1 S1 Br1\n1.0\n2.800597 -0.000000 0.000000\n-0.000000 2.800597 -0.000000\n0.000000 -0.000000 8.850102\nP S Br\n1 1 1\ndirect\n0.000000 0.000000 0.374573 P\n0.000000 0.000000 0.609175 S\n0.000000 0.000000 0.002121 Br\n",
"nsites": 3,
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"elements": [
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"S",
"Br"
],
"chemical_system": "Br-P-S",
"density": 3.419493262062225,
"density_atomic": 0.04321870405538968,
"volume": 69.4143904952624,
"volume_molar": 13.934107677735874,
"formula_full": "P1 S1 Br1",
"formula_reduced": "PSBr",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-117837",
"created_at": "2022-09-04T14:38:28.952807Z",
"updated_at": "2022-09-04T14:38:28.952837Z",
"structure_string": "P1 Br1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nP Br\n1 1\ndirect\n0.000000 0.000000 0.111393 P\n0.000000 0.000000 0.888607 Br\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Br-P",
"density": 0.31695969866660945,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "P1 Br1",
"formula_reduced": "PBr",
"formula_anonymous": "AB",
"energy_above_hull": 1.5193598025,
"spacegroup": 99
},
{
"id": "jvasp-117838",
"created_at": "2022-09-04T14:38:29.021355Z",
"updated_at": "2022-09-04T14:38:29.021382Z",
"structure_string": "P1 Br2\n1.0\n3.979001 0.177526 -0.193960\n0.198039 -3.870869 0.515509\n-0.404648 2.519776 -5.905804\nP Br\n1 2\ndirect\n0.961521 0.932075 0.005395 P\n0.461510 0.386745 0.958284 Br\n0.962049 0.258581 0.408222 Br\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Br-P",
"density": 3.6764025096772066,
"density_atomic": 0.03481435517616895,
"volume": 86.17135043344285,
"volume_molar": 17.297866726315995,
"formula_full": "P1 Br2",
"formula_reduced": "PBr2",
"formula_anonymous": "AB2",
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"spacegroup": 6
},
{
"id": "jvasp-117839",
"created_at": "2022-09-04T14:38:47.531572Z",
"updated_at": "2022-09-04T14:38:47.531598Z",
"structure_string": "P2 Br2\n1.0\n7.644966 -0.271926 -2.916699\n4.320168 -4.637121 -2.009370\n1.930390 -3.292828 -4.178526\nP Br\n2 2\ndirect\n0.668282 0.834594 -0.018549 P\n0.549189 0.454436 0.218073 P\n0.901584 0.052071 0.102869 Br\n0.315786 0.142604 0.190837 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Br-P",
"density": 3.3758941482802065,
"density_atomic": 0.03667121231907507,
"volume": 109.07738651223542,
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"formula_full": "P2 Br2",
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"formula_anonymous": "AB",
"energy_above_hull": 0.8840298025000002,
"spacegroup": 4
},
{
"id": "jvasp-11784",
"created_at": "2022-09-04T14:37:10.003455Z",
"updated_at": "2022-09-04T14:37:10.003493Z",
"structure_string": "Nd2 Cr2 O8\n1.0\n5.883587 0.000233 -1.695269\n-3.331990 4.849167 -1.695269\n-0.000122 -0.000233 6.122951\nNd Cr O\n2 2 8\ndirect\n0.125001 0.875001 0.250000 Nd\n0.875001 0.125000 0.750000 Nd\n0.375001 0.625001 0.750000 Cr\n0.625000 0.375000 0.250000 Cr\n0.794272 0.723481 0.429210 O\n0.365062 0.794272 0.570790 O\n0.723482 0.794272 0.929210 O\n0.794272 0.365061 0.070790 O\n0.634939 0.205729 0.429210 O\n0.205729 0.276519 0.570790 O\n0.205730 0.634939 0.929210 O\n0.276519 0.205729 0.070790 O\n",
"nsites": 12,
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],
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"density": 4.947383631634585,
"density_atomic": 0.06869274423236993,
"volume": 174.69093911006203,
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"formula_full": "Nd2 Cr2 O8",
"formula_reduced": "NdCrO4",
"formula_anonymous": "ABC4",
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"spacegroup": 141
},
{
"id": "jvasp-117840",
"created_at": "2022-09-04T14:38:52.973321Z",
"updated_at": "2022-09-04T14:38:52.973351Z",
"structure_string": "P1 Br2\n1.0\n8.262770 0.000000 -5.268526\n0.000000 2.795434 0.000000\n-5.146147 0.000000 6.781929\nP Br\n1 2\ndirect\n0.075733 0.000000 0.404819 P\n-0.074320 0.000000 -0.048344 Br\n0.225681 0.000000 -0.142110 Br\n",
"nsites": 3,
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},
{
"id": "jvasp-117841",
"created_at": "2022-09-04T14:38:50.060689Z",
"updated_at": "2022-09-04T14:38:50.060714Z",
"structure_string": "P1 Br1\n1.0\n4.599413 -0.000000 -0.000000\n-2.299706 3.983208 0.000000\n-0.000000 -0.000000 3.127769\nP Br\n1 1\ndirect\n0.333333 0.666666 0.000000 P\n0.000000 0.000000 0.000000 Br\n",
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"elements": [
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"formula_full": "P1 Br1",
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}
]
}