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{
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"results": [
{
"id": "jvasp-12048",
"created_at": "2022-09-04T14:37:56.728059Z",
"updated_at": "2022-09-04T14:37:56.728075Z",
"structure_string": "Bi4 Br12\n1.0\n7.164619 0.000000 -0.197611\n0.000000 12.416967 0.000000\n-2.188132 0.000000 6.479051\nBi Br\n4 12\ndirect\n0.500341 0.333647 0.000276 Bi\n-0.000341 0.833647 -0.000276 Bi\n0.000341 0.166353 0.000276 Bi\n0.499659 0.666354 -0.000276 Bi\n0.247590 0.168439 0.742949 Br\n0.254405 0.499822 0.736420 Br\n0.253406 0.331328 0.257909 Br\n0.246594 0.831328 0.742091 Br\n0.245595 -0.000178 0.263580 Br\n0.747590 0.331561 0.742949 Br\n0.252410 0.668439 0.257051 Br\n0.754405 0.000178 0.736420 Br\n0.753406 0.168672 0.257909 Br\n0.746594 0.668672 0.742092 Br\n0.745595 0.500178 0.263580 Br\n0.752410 0.831561 0.257051 Br\n",
"nsites": 16,
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"elements": [
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"density": 5.219178657062037,
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"volume": 571.0256789760302,
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"formula_full": "Bi4 Br12",
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{
"id": "jvasp-123787",
"created_at": "2022-09-04T14:38:55.509115Z",
"updated_at": "2022-09-04T14:38:55.509134Z",
"structure_string": "Bi5 Br1\n1.0\n2.154174 -3.731146 0.000000\n2.154174 3.731146 -0.000000\n0.000000 0.000000 12.902652\nBi Br\n5 1\ndirect\n0.666666 0.333332 0.073437 Bi\n0.666666 0.333332 0.575857 Bi\n0.333332 0.666666 0.426563 Bi\n0.333332 0.666666 0.924143 Bi\n0.000000 0.000000 0.749986 Bi\n0.000000 0.000000 0.250015 Br\n",
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"spacegroup": 164
},
{
"id": "jvasp-29748",
"created_at": "2022-09-04T14:37:06.445103Z",
"updated_at": "2022-09-04T14:37:06.445128Z",
"structure_string": "Bi4 Br12\n1.0\n6.763950 0.123816 0.000000\n-2.686117 7.598949 0.000000\n0.000000 0.000000 9.783985\nBi Br\n4 12\ndirect\n0.011738 0.139644 0.793829 Bi\n0.988262 0.360356 0.293829 Bi\n0.988262 0.860356 0.206171 Bi\n0.011737 0.639644 0.706171 Bi\n0.331191 0.958155 0.759667 Br\n0.668809 0.541845 0.259667 Br\n0.668809 0.041845 0.240332 Br\n0.774760 0.832096 0.586337 Br\n0.774760 0.332096 0.913662 Br\n0.331191 0.458155 0.740332 Br\n0.225240 0.167905 0.413663 Br\n0.216360 0.193418 0.056296 Br\n0.783640 0.306582 0.556296 Br\n0.216360 0.693419 0.443703 Br\n0.225240 0.667905 0.086337 Br\n0.783640 0.806582 0.943703 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Br"
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"chemical_system": "Bi-Br",
"density": 5.888260182158157,
"density_atomic": 0.031611796108615926,
"volume": 506.1401745419689,
"volume_molar": 19.05029609614191,
"formula_full": "Bi4 Br12",
"formula_reduced": "BiBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0052774999999999,
"spacegroup": 14
},
{
"id": "jvasp-29558",
"created_at": "2022-09-04T14:37:14.933125Z",
"updated_at": "2022-09-04T14:37:14.933136Z",
"structure_string": "Bi2 Br6\n1.0\n6.733002 0.026169 -1.195521\n-1.920486 5.906808 -3.577068\n0.010314 -0.002874 7.167562\nBi Br\n2 6\ndirect\n-0.000000 0.833607 0.166393 Bi\n-0.000000 0.166394 0.833607 Bi\n0.257547 0.921664 0.584639 Br\n0.742452 0.415361 0.078336 Br\n0.257547 0.584640 0.921664 Br\n0.742452 0.078337 0.415361 Br\n0.263516 0.245860 0.245860 Br\n0.736483 0.754141 0.754140 Br\n",
"nsites": 8,
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"elements": [
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"density": 5.2209832009836,
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"volume": 285.4141568377953,
"volume_molar": 21.485052842174,
"formula_full": "Bi2 Br6",
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"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-123788",
"created_at": "2022-09-04T14:38:55.064760Z",
"updated_at": "2022-09-04T14:38:55.064775Z",
"structure_string": "Bi5 C1\n1.0\n2.016969 -3.493499 -0.000000\n2.016969 3.493499 0.000000\n-0.000000 0.000000 12.489045\nBi C\n5 1\ndirect\n0.666667 0.333334 0.151372 Bi\n0.666667 0.333334 0.544674 Bi\n0.333334 0.666667 0.374354 Bi\n0.333334 0.666667 0.928587 Bi\n0.000000 0.000000 0.769219 Bi\n0.000000 0.000000 0.231795 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Bi-C",
"density": 9.971698553593916,
"density_atomic": 0.034090406327854685,
"volume": 176.00259563634194,
"volume_molar": 17.665206750790215,
"formula_full": "Bi5 C1",
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"spacegroup": 156
},
{
"id": "jvasp-12465",
"created_at": "2022-09-04T14:37:28.411370Z",
"updated_at": "2022-09-04T14:37:28.411397Z",
"structure_string": "Bi4 Cl12\n1.0\n6.301279 0.000000 0.000000\n0.000000 7.497354 0.000000\n0.000000 0.000000 8.852501\nBi Cl\n4 12\ndirect\n0.514116 0.577716 0.249383 Bi\n0.485884 0.422284 0.749382 Bi\n-0.014116 0.077716 0.249383 Bi\n0.014116 0.922284 0.749382 Bi\n0.645444 0.323468 0.061626 Cl\n0.354556 0.676532 0.561626 Cl\n0.854556 0.823467 0.061626 Cl\n0.145444 0.176532 0.561626 Cl\n0.632529 0.042164 0.749770 Cl\n0.367471 0.957836 0.249770 Cl\n0.867471 0.542164 0.749770 Cl\n0.132529 0.457836 0.249770 Cl\n0.145401 0.176201 0.937821 Cl\n0.854599 0.823799 0.437821 Cl\n0.354599 0.676200 0.937821 Cl\n0.645401 0.323799 0.437821 Cl\n",
"nsites": 16,
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"elements": [
"Bi",
"Cl"
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"chemical_system": "Bi-Cl",
"density": 5.0082340296268155,
"density_atomic": 0.03825756032497994,
"volume": 418.2179904857378,
"volume_molar": 15.741047544184088,
"formula_full": "Bi4 Cl12",
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"formula_anonymous": "AB3",
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"spacegroup": 62
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{
"id": "jvasp-30643",
"created_at": "2022-09-04T14:37:29.884731Z",
"updated_at": "2022-09-04T14:37:29.884757Z",
"structure_string": "Bi2 F8\n1.0\n4.571872 -0.237739 -2.785699\n-0.798431 5.009795 -1.728092\n-0.737004 0.440105 6.194711\nBi F\n2 8\ndirect\n-0.002042 0.498751 -0.001254 Bi\n0.497027 -0.002163 -0.001267 Bi\n0.008207 0.261982 0.238017 F\n0.522313 0.270247 0.759418 F\n0.125072 0.595461 0.756680 F\n-0.018707 0.131271 0.743422 F\n0.336385 0.867498 0.240863 F\n0.474632 0.398376 0.240460 F\n0.885298 0.736966 0.253987 F\n0.656466 0.734256 0.757148 F\n",
"nsites": 10,
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"elements": [
"Bi",
"F"
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"chemical_system": "Bi-F",
"density": 7.032592782945967,
"density_atomic": 0.0743072381323053,
"volume": 134.57639190134924,
"volume_molar": 8.10437975002849,
"formula_full": "Bi2 F8",
"formula_reduced": "BiF4",
"formula_anonymous": "AB4",
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"spacegroup": 5
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{
"id": "jvasp-30597",
"created_at": "2022-09-04T14:37:29.658165Z",
"updated_at": "2022-09-04T14:37:29.658190Z",
"structure_string": "Bi1 F5\n1.0\n3.664617 -0.000000 1.347629\n1.149701 4.738798 2.530034\n0.101897 1.109729 5.379332\nBi F\n1 5\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.760732 0.239268 F\n0.500001 0.239269 0.760731 F\n0.777268 0.222733 0.222732 F\n0.222733 0.777269 0.777266 F\n0.000000 0.500001 0.499999 F\n",
"nsites": 6,
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"elements": [
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"density": 5.994999548716329,
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"volume": 84.19651541839856,
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"formula_full": "Bi1 F5",
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"spacegroup": 71
},
{
"id": "jvasp-9928",
"created_at": "2022-09-04T14:37:29.968863Z",
"updated_at": "2022-09-04T14:37:29.968883Z",
"structure_string": "Bi2 F10\n1.0\n3.822781 -0.000000 -0.000000\n-1.911390 5.502906 0.000000\n0.000000 0.000000 8.819595\nBi F\n2 10\ndirect\n0.500000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.462365 0.924730 0.250000 F\n0.537635 0.075271 0.750000 F\n0.083959 0.167917 0.583907 F\n0.916041 0.832083 0.416094 F\n0.331270 0.662540 0.908639 F\n0.668730 0.337461 0.091362 F\n0.668730 0.337461 0.408639 F\n0.331270 0.662540 0.591362 F\n0.083959 0.167917 0.916094 F\n0.916041 0.832083 0.083907 F\n",
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"formula_full": "Bi2 F10",
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},
{
"id": "jvasp-12506",
"created_at": "2022-09-04T14:37:32.271668Z",
"updated_at": "2022-09-04T14:37:32.271698Z",
"structure_string": "Bi4 F12\n1.0\n4.459268 0.000000 0.000000\n0.000000 6.773636 0.000000\n0.000000 0.000000 7.207009\nBi F\n4 12\ndirect\n0.935806 0.630787 0.750000 Bi\n0.435805 0.869214 0.250000 Bi\n0.564195 0.130786 0.750000 Bi\n0.064195 0.369214 0.250000 Bi\n0.394287 0.164507 0.433775 F\n0.894287 0.335494 0.566225 F\n0.105713 0.664507 0.066225 F\n0.605713 0.835494 0.933775 F\n0.574380 0.517121 0.250000 F\n0.074380 0.982880 0.750000 F\n0.925621 0.017121 0.250000 F\n0.425620 0.482880 0.750000 F\n0.394287 0.164507 0.066225 F\n0.894287 0.335494 0.933775 F\n0.105713 0.664507 0.433775 F\n0.605713 0.835494 0.566225 F\n",
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{
"id": "jvasp-117732",
"created_at": "2022-09-04T14:38:47.429570Z",
"updated_at": "2022-09-04T14:38:47.429595Z",
"structure_string": "Bi1 F3\n1.0\n4.098124 0.291748 -0.091748\n-1.792042 -3.692240 0.186728\n-0.093499 -0.184123 -4.535390\nBi F\n1 3\ndirect\n0.680876 0.189913 0.116689 Bi\n0.014395 0.856601 0.226225 F\n0.347387 0.523107 0.007104 F\n0.680879 0.189959 0.616688 F\n",
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{
"id": "jvasp-3852",
"created_at": "2022-09-04T14:36:05.843599Z",
"updated_at": "2022-09-04T14:36:05.843626Z",
"structure_string": "Bi1 F5\n1.0\n3.962111 -0.000000 1.800352\n1.981056 4.553718 0.900175\n0.097240 0.000001 5.045967\nBi F\n1 5\ndirect\n0.000000 0.000000 0.000000 Bi\n0.702438 0.196321 0.398801 F\n0.500000 0.000000 -0.000000 F\n0.297562 0.803679 0.601199 F\n0.898761 0.398801 0.803679 F\n0.101240 0.601199 0.196322 F\n",
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]
}