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{
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{
"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",
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{
"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",
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"spacegroup": 99
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{
"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",
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],
"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-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",
"O"
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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-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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"chemical_system": "Br-O",
"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-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,
"nelements": 4,
"elements": [
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"W",
"N",
"O"
],
"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-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",
"nsites": 3,
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"elements": [
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"density": 4.591344070776912,
"density_atomic": 0.07412608160304779,
"volume": 40.4715848338684,
"volume_molar": 8.124186021661224,
"formula_full": "Br1 O2",
"formula_reduced": "BrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5940770350000006,
"spacegroup": 1
},
{
"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",
"nsites": 3,
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"elements": [
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"chemical_system": "Br-O",
"density": 3.231652929500524,
"density_atomic": 0.05217421414560846,
"volume": 57.49966816227575,
"volume_molar": 11.54236984421717,
"formula_full": "Br1 O2",
"formula_reduced": "BrO2",
"formula_anonymous": "AB2",
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"spacegroup": 6
},
{
"id": "jvasp-117826",
"created_at": "2022-09-04T14:38:28.825215Z",
"updated_at": "2022-09-04T14:38:28.825238Z",
"structure_string": "Br2 O1\n1.0\n4.014662 0.863785 -0.563438\n-1.566409 -4.009490 0.643756\n-0.455236 3.552678 -5.230236\nBr O\n2 1\ndirect\n0.328530 0.543823 0.642600 Br\n0.924009 0.296376 0.131974 Br\n-0.081567 0.014141 0.269057 O\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Br-O",
"density": 4.063566034288137,
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"volume": 71.84208486684888,
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"formula_full": "Br2 O1",
"formula_reduced": "Br2O",
"formula_anonymous": "AB2",
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"spacegroup": 1
},
{
"id": "jvasp-117825",
"created_at": "2022-09-04T14:38:50.040256Z",
"updated_at": "2022-09-04T14:38:50.040274Z",
"structure_string": "Br1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nBr O\n1 1\ndirect\n0.000000 0.000000 0.848565 Br\n0.000000 0.000000 0.151435 O\n",
"nsites": 2,
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"elements": [
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"density": 0.7676295457877751,
"density_atomic": 0.009640478185062007,
"volume": 207.45858883836436,
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"formula_full": "Br1 O1",
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"spacegroup": 99
},
{
"id": "jvasp-117824",
"created_at": "2022-09-04T14:38:49.682132Z",
"updated_at": "2022-09-04T14:38:49.682148Z",
"structure_string": "Br2 O1\n1.0\n3.666154 0.000000 0.000000\n0.000000 3.509521 0.000000\n0.000000 0.000000 6.303690\nBr O\n2 1\ndirect\n0.049834 0.000000 0.732781 Br\n0.049834 0.000000 0.267219 Br\n0.300331 0.000000 0.000000 O\n",
"nsites": 3,
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"volume": 81.10607722910294,
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"formula_full": "Br2 O1",
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"spacegroup": 25
},
{
"id": "jvasp-117823",
"created_at": "2022-09-04T14:38:28.774327Z",
"updated_at": "2022-09-04T14:38:28.774354Z",
"structure_string": "Br2 O1\n1.0\n4.171415 0.000000 -0.004049\n0.000000 3.436941 0.000000\n-0.023842 0.000000 5.386223\nBr O\n2 1\ndirect\n0.047306 0.000000 -0.034992 Br\n-0.102953 0.000000 0.466036 Br\n0.455648 0.000000 -0.031044 O\n",
"nsites": 3,
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"volume": 77.22144774369154,
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"formula_full": "Br2 O1",
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"spacegroup": 25
}
]
}