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{
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"results": [
{
"id": "jvasp-33682",
"created_at": "2022-09-04T14:38:04.242660Z",
"updated_at": "2022-09-04T14:38:04.242679Z",
"structure_string": "Br6 Cl6 O6\n1.0\n9.071043 -0.143160 -0.317005\n-3.741738 8.264605 -0.316997\n-3.741722 -5.702100 5.990858\nBr Cl O\n6 6 6\ndirect\n0.254658 0.728470 0.575631 Br\n0.271530 0.424368 0.745342 Br\n0.424368 0.745342 0.271529 Br\n0.575632 0.254658 0.728470 Br\n0.728470 0.575632 0.254657 Br\n0.745342 0.271529 0.424367 Br\n0.926588 0.871814 0.642320 Cl\n0.357678 0.073410 0.128185 Cl\n0.871814 0.642321 0.926588 Cl\n0.128186 0.357679 0.073410 Cl\n0.642321 0.926589 0.871813 Cl\n0.073411 0.128186 0.357679 Cl\n0.158549 0.536848 0.706749 O\n0.293251 0.841451 0.463152 O\n0.463152 0.293251 0.841451 O\n0.536847 0.706749 0.158548 O\n0.706748 0.158548 0.536847 O\n0.841451 0.463152 0.293250 O\n",
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{
"id": "jvasp-115678",
"created_at": "2022-09-04T14:38:46.456424Z",
"updated_at": "2022-09-04T14:38:46.456451Z",
"structure_string": "Br1 Cl1 O1\n1.0\n2.924031 0.000000 0.000000\n0.000000 2.924031 -0.000000\n-0.000000 0.000000 7.816237\nBr Cl O\n1 1 1\ndirect\n0.000000 0.000000 0.365946 Br\n0.000000 0.000000 0.759502 Cl\n0.000000 0.000000 -0.041391 O\n",
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"spacegroup": 99
},
{
"id": "jvasp-115677",
"created_at": "2022-09-04T14:38:48.209462Z",
"updated_at": "2022-09-04T14:38:48.209498Z",
"structure_string": "Br1 Cl1 O1\n1.0\n4.392251 -0.000000 -0.000000\n-2.196125 3.803801 0.000000\n0.000000 0.000000 3.608165\nBr Cl O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Br\n0.333332 0.666667 0.000000 Cl\n0.666666 0.333333 0.000000 O\n",
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"elements": [
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"density_atomic": 0.049765678161883105,
"volume": 60.28251017179511,
"volume_molar": 12.100992054022731,
"formula_full": "Br1 Cl1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-12982",
"created_at": "2022-09-04T14:36:47.075811Z",
"updated_at": "2022-09-04T14:36:47.075838Z",
"structure_string": "P3 Br1 Cl14\n1.0\n7.490122 -0.009088 -4.313719\n-4.985081 7.061083 -0.016062\n-0.006416 0.009089 8.643498\nP Br Cl\n3 1 14\ndirect\n0.499999 0.248079 0.748079 P\n-0.000000 0.498087 0.498087 P\n0.500000 0.748079 0.248080 P\n0.000000 -0.002030 -0.002030 Br\n0.730915 0.520803 0.892466 Cl\n0.371663 0.892466 0.161550 Cl\n0.628336 0.789886 0.520803 Cl\n0.269084 0.161550 0.789886 Cl\n-0.000000 0.674915 0.674916 Cl\n0.269080 0.475357 0.103663 Cl\n0.730920 0.834582 0.206277 Cl\n0.628305 0.103663 0.834582 Cl\n0.663018 0.388249 0.270932 Cl\n0.882682 0.270932 0.607915 Cl\n0.117317 0.725231 0.388250 Cl\n0.336981 0.607915 0.725231 Cl\n-0.000000 0.321255 0.321256 Cl\n0.371694 0.206277 0.475357 Cl\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Br-Cl-P",
"density": 2.432793077805575,
"density_atomic": 0.03940886053298658,
"volume": 456.75007489580616,
"volume_molar": 15.281184684239372,
"formula_full": "P3 Br1 Cl14",
"formula_reduced": "P3BrCl14",
"formula_anonymous": "AB3C14",
"energy_above_hull": 0.6843826416666667,
"spacegroup": 87
},
{
"id": "jvasp-115679",
"created_at": "2022-09-04T14:38:48.227639Z",
"updated_at": "2022-09-04T14:38:48.227671Z",
"structure_string": "Pb1 Br1 Cl1\n1.0\n5.432090 0.000000 0.000000\n-2.716045 4.704328 -0.000000\n0.000000 0.000000 3.418015\nPb Br Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Pb\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"volume": 87.34509380130365,
"volume_molar": 17.53348165222847,
"formula_full": "Pb1 Br1 Cl1",
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"spacegroup": 187
},
{
"id": "jvasp-115682",
"created_at": "2022-09-04T14:38:45.518792Z",
"updated_at": "2022-09-04T14:38:45.518816Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n7.770628 0.000000 0.698717\n0.000000 4.593564 0.000000\n-2.546333 0.000000 5.007041\nPb Br Cl\n2 2 2\ndirect\n0.715861 0.749999 0.884321 Pb\n0.284140 0.250000 0.115678 Pb\n0.077252 0.749999 0.776133 Br\n0.922748 0.250000 0.223866 Br\n0.442148 0.250000 0.710720 Cl\n0.557853 0.749999 0.289279 Cl\n",
"nsites": 6,
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"elements": [
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"volume": 186.89842641871445,
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"formula_full": "Pb2 Br2 Cl2",
"formula_reduced": "PbBrCl",
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"spacegroup": 11
},
{
"id": "jvasp-115683",
"created_at": "2022-09-04T14:38:46.513517Z",
"updated_at": "2022-09-04T14:38:46.513541Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n4.612706 -0.000000 0.000000\n0.000000 4.612706 0.000000\n0.000000 0.000000 7.911427\nPb Br Cl\n2 2 2\ndirect\n0.000000 0.500001 0.765021 Pb\n0.500001 0.000000 0.234979 Pb\n0.500001 0.000000 0.638399 Br\n0.000000 0.500001 0.361601 Br\n0.500001 0.500001 0.000000 Cl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 6,
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"density": 6.363839082980162,
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"volume": 168.33188040149753,
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"formula_full": "Pb2 Br2 Cl2",
"formula_reduced": "PbBrCl",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-115681",
"created_at": "2022-09-04T14:38:47.436332Z",
"updated_at": "2022-09-04T14:38:47.436358Z",
"structure_string": "Pb1 Br1 Cl2\n1.0\n4.435399 -0.000000 -0.000000\n-0.000000 4.435399 -0.000000\n0.000000 0.000000 5.618251\nPb Br Cl\n1 1 2\ndirect\n0.500000 0.500000 0.398207 Pb\n0.000000 0.000000 0.127288 Br\n0.000000 0.000000 0.618865 Cl\n0.500000 0.500000 0.865640 Cl\n",
"nsites": 4,
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"formula_full": "Pb1 Br1 Cl2",
"formula_reduced": "PbBrCl2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-115680",
"created_at": "2022-09-04T14:38:46.470111Z",
"updated_at": "2022-09-04T14:38:46.470139Z",
"structure_string": "Pb1 Br1 Cl1\n1.0\n5.992044 0.000000 -0.000000\n0.000000 5.992044 -0.000000\n-0.000000 -0.000000 9.375867\nPb Br Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.000583 Pb\n0.000000 0.000000 0.291504 Br\n0.000000 0.000000 0.722766 Cl\n",
"nsites": 3,
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},
{
"id": "jvasp-36723",
"created_at": "2022-09-04T14:37:58.849250Z",
"updated_at": "2022-09-04T14:37:58.849273Z",
"structure_string": "Pb2 Br2 Cl2\n1.0\n4.613712 0.000000 0.000000\n-0.000000 4.613712 -0.000000\n0.000000 0.000000 7.896813\nPb Br Cl\n2 2 2\ndirect\n0.500000 0.000000 0.764964 Pb\n0.000000 0.500000 0.235036 Pb\n0.000000 0.500000 0.638214 Br\n0.500000 0.000000 0.361785 Br\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
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"formula_full": "Pb2 Br2 Cl2",
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},
{
"id": "jvasp-12473",
"created_at": "2022-09-04T14:38:32.311168Z",
"updated_at": "2022-09-04T14:38:32.311192Z",
"structure_string": "Pb4 Br4 Cl4\n1.0\n4.602543 0.000000 0.000000\n0.000000 7.809562 0.000000\n0.000000 0.000000 9.250005\nPb Br Cl\n4 4 4\ndirect\n0.250000 0.251740 0.604079 Pb\n0.750000 0.748260 0.395920 Pb\n0.250000 0.751740 0.895920 Pb\n0.750000 0.248260 0.104080 Pb\n0.750000 0.972972 0.668164 Br\n0.250000 0.527027 0.168164 Br\n0.750000 0.472972 0.831835 Br\n0.250000 0.027027 0.331835 Br\n0.750000 0.858385 0.069583 Cl\n0.250000 0.641615 0.569583 Cl\n0.750000 0.358385 0.430417 Cl\n0.250000 0.141615 0.930416 Cl\n",
"nsites": 12,
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"spacegroup": 62
},
{
"id": "jvasp-107296",
"created_at": "2022-09-04T14:36:53.797605Z",
"updated_at": "2022-09-04T14:36:53.797630Z",
"structure_string": "Pr2 Br2 Cl4\n1.0\n4.353419 0.000000 0.000000\n-0.000000 6.562185 3.607898\n0.000000 -0.041697 7.597388\nPr Br Cl\n2 2 4\ndirect\n0.000000 0.338966 0.327357 Pr\n0.500000 0.669302 0.662154 Pr\n0.000000 0.360407 0.914084 Br\n0.000000 0.922725 0.720179 Br\n0.000000 0.703312 0.387861 Cl\n0.500000 0.604960 0.086552 Cl\n0.500000 0.080564 0.311521 Cl\n0.500000 0.319761 0.590294 Cl\n",
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"formula_full": "Pr2 Br2 Cl4",
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]
}