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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=715",
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"results": [
{
"id": "jvasp-8821",
"created_at": "2022-09-04T14:36:46.068598Z",
"updated_at": "2022-09-04T14:36:46.068627Z",
"structure_string": "Bi1 Te3\n1.0\n8.727156 -0.333078 -0.198178\n7.826107 3.876370 -0.198178\n7.826107 1.675209 3.501313\nBi Te\n1 3\ndirect\n0.392717 0.392717 0.392715 Bi\n0.223368 0.223368 0.223367 Te\n0.977910 0.977909 0.977906 Te\n0.804509 0.804509 0.804506 Te\n",
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{
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"structure_string": "Bi1 Te1 Br1\n1.0\n2.163766 -3.747753 -0.000000\n2.163766 3.747753 0.000000\n0.000000 0.000000 6.582104\nBi Te Br\n1 1 1\ndirect\n0.000000 0.000000 0.006630 Bi\n0.666668 0.333334 0.273281 Te\n0.333334 0.666668 0.720088 Br\n",
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{
"id": "jvasp-12986",
"created_at": "2022-09-04T14:36:58.054619Z",
"updated_at": "2022-09-04T14:36:58.054633Z",
"structure_string": "Bi2 Te4 Br8\n1.0\n7.208713 0.082879 0.034146\n-0.551777 7.610953 -0.147826\n-1.949771 -0.594004 9.077099\nBi Te Br\n2 4 8\ndirect\n0.285959 0.095663 0.615130 Bi\n0.714040 0.904337 0.384870 Bi\n0.890283 0.552075 0.802106 Te\n0.109717 0.447926 0.197894 Te\n0.762838 0.364973 0.006339 Te\n0.237161 0.635027 0.993661 Te\n0.554526 0.554564 0.319726 Br\n0.445474 0.445437 0.680274 Br\n0.788599 0.917977 0.110436 Br\n0.211400 0.082023 0.889564 Br\n0.639324 0.948061 0.701843 Br\n0.360675 0.051939 0.298157 Br\n0.068241 0.745874 0.531372 Br\n0.931759 0.254126 0.468628 Br\n",
"nsites": 14,
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"elements": [
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"Te",
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"chemical_system": "Bi-Br-Te",
"density": 5.223434366967459,
"density_atomic": 0.028093239409570012,
"volume": 498.3405365217823,
"volume_molar": 21.4362632667721,
"formula_full": "Bi2 Te4 Br8",
"formula_reduced": "Bi(TeBr2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 2
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{
"id": "jvasp-4026",
"created_at": "2022-09-04T14:37:01.203571Z",
"updated_at": "2022-09-04T14:37:01.203593Z",
"structure_string": "Bi2 Te2 Cl2\n1.0\n2.146891 -3.718524 0.000000\n2.146891 3.718524 0.000000\n0.000000 0.000000 12.627318\nBi Te Cl\n2 2 2\ndirect\n0.333333 0.666667 0.137312 Bi\n0.666667 0.333333 0.637312 Bi\n0.666667 0.333333 0.277228 Te\n0.333333 0.666667 0.777228 Te\n0.000000 0.000000 0.003559 Cl\n0.000000 0.000000 0.503559 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Cl"
],
"chemical_system": "Bi-Cl-Te",
"density": 6.128290257144929,
"density_atomic": 0.02975976879448223,
"volume": 201.61446956914742,
"volume_molar": 20.235845249969042,
"formula_full": "Bi2 Te2 Cl2",
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"formula_anonymous": "ABC",
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"spacegroup": 186
},
{
"id": "jvasp-1963",
"created_at": "2022-09-04T14:36:15.716200Z",
"updated_at": "2022-09-04T14:36:15.716226Z",
"structure_string": "Bi1 Te1 I1\n1.0\n2.201150 -3.812505 0.000000\n2.201150 3.812505 0.000000\n0.000000 0.000000 6.976162\nBi Te I\n1 1 1\ndirect\n0.333333 0.666667 0.920814 Bi\n0.000000 -0.000000 0.674130 Te\n0.666667 0.333333 0.224355 I\n",
"nsites": 3,
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"elements": [
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"I"
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"chemical_system": "Bi-I-Te",
"density": 6.5732181416425925,
"density_atomic": 0.02562209522103946,
"volume": 117.08644332632737,
"volume_molar": 23.503701426630197,
"formula_full": "Bi1 Te1 I1",
"formula_reduced": "BiTeI",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-29467",
"created_at": "2022-09-04T14:37:56.848001Z",
"updated_at": "2022-09-04T14:37:56.848031Z",
"structure_string": "Bi4 Te4 I4 O12\n1.0\n7.100558 0.000000 0.000000\n0.000000 7.809202 -2.012399\n0.000000 0.032756 9.144858\nBi Te I O\n4 4 4 12\ndirect\n0.133426 0.672709 0.405855 Bi\n0.866574 0.327291 0.594146 Bi\n0.633426 0.827291 0.594145 Bi\n0.366574 0.172710 0.405855 Bi\n0.820261 0.993294 0.261175 Te\n0.179739 0.006706 0.738825 Te\n0.679739 0.493295 0.261175 Te\n0.320261 0.506706 0.738825 Te\n0.659710 0.145802 0.869862 I\n0.840291 0.645802 0.869862 I\n0.340290 0.854198 0.130138 I\n0.159710 0.354198 0.130138 I\n0.879710 0.770782 0.287116 O\n0.506705 0.375001 0.611034 O\n0.651691 0.031341 0.434773 O\n0.151690 0.468660 0.565227 O\n0.120290 0.229218 0.712885 O\n0.006705 0.124999 0.388967 O\n0.348310 0.968659 0.565227 O\n0.993296 0.875001 0.611034 O\n0.620290 0.270782 0.287116 O\n0.848310 0.531341 0.434773 O\n0.493296 0.624999 0.388966 O\n0.379710 0.729218 0.712884 O\n",
"nsites": 24,
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"elements": [
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"I",
"O"
],
"chemical_system": "Bi-I-O-Te",
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"density_atomic": 0.04728620409599145,
"volume": 507.54761264574694,
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"formula_full": "Bi4 Te4 I4 O12",
"formula_reduced": "BiTeIO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 14
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{
"id": "jvasp-112375",
"created_at": "2022-09-04T14:38:39.505828Z",
"updated_at": "2022-09-04T14:38:39.505859Z",
"structure_string": "Bi4 Te4 Ir4\n1.0\n6.628650 0.000000 0.000000\n0.000000 6.628650 0.000000\n-0.000000 0.000000 6.628650\nBi Te Ir\n4 4 4\ndirect\n0.131659 0.868341 0.368341 Bi\n0.868341 0.368341 0.131659 Bi\n0.368341 0.131659 0.868341 Bi\n0.631659 0.631659 0.631659 Bi\n0.874084 0.125916 0.625916 Te\n0.125916 0.625916 0.874084 Te\n0.625916 0.874084 0.125916 Te\n0.374084 0.374084 0.374084 Te\n0.493599 0.506401 0.006401 Ir\n0.506401 0.006401 0.493599 Ir\n0.006401 0.493599 0.506401 Ir\n0.993599 0.993599 0.993599 Ir\n",
"nsites": 12,
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"elements": [
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"Te",
"Ir"
],
"chemical_system": "Bi-Ir-Te",
"density": 12.059328752527591,
"density_atomic": 0.041200831496486165,
"volume": 291.2562578020647,
"volume_molar": 14.61655151429068,
"formula_full": "Bi4 Te4 Ir4",
"formula_reduced": "BiTeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8301843888888885,
"spacegroup": 198
},
{
"id": "jvasp-51205",
"created_at": "2022-09-04T14:36:54.191896Z",
"updated_at": "2022-09-04T14:36:54.191917Z",
"structure_string": "Bi1 Te1 Ir1\n1.0\n-0.000000 3.468094 3.468094\n3.468094 -0.000000 3.468094\n3.468094 3.468094 0.000000\nBi Te Ir\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.499999 0.499999 0.499999 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
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"volume": 83.42622188939714,
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"formula_full": "Bi1 Te1 Ir1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-40903",
"created_at": "2022-09-04T14:37:35.402892Z",
"updated_at": "2022-09-04T14:37:35.402919Z",
"structure_string": "Bi4 Te4 O16\n1.0\n-0.000000 5.618429 -0.000000\n-6.457985 2.809214 0.037824\n2.099570 -2.809214 9.410169\nBi Te O\n4 4 16\ndirect\n0.229632 0.610818 0.155295 Bi\n0.042493 0.744670 0.744825 Bi\n0.957662 0.244669 0.244826 Bi\n0.314846 0.110818 0.655295 Bi\n0.652775 0.923483 0.384138 Te\n0.492539 0.505232 0.503642 Te\n0.807879 0.423483 0.884138 Te\n0.505871 0.005232 0.003642 Te\n0.353942 0.001996 0.154129 O\n0.702175 0.203849 0.415491 O\n0.347449 0.418217 0.620197 O\n0.083303 0.531208 0.903262 O\n0.519559 0.289299 0.085045 O\n0.798191 0.501997 0.654129 O\n0.200616 0.494671 0.343761 O\n0.276185 0.789300 0.585045 O\n0.911461 0.460029 0.091252 O\n0.636166 0.588970 0.380564 O\n0.288752 0.031207 0.403262 O\n0.648472 0.994672 0.843761 O\n0.719761 0.960029 0.591252 O\n0.854530 0.918218 0.120196 O\n0.509467 0.703850 0.915491 O\n0.155429 0.088970 0.880564 O\n",
"nsites": 24,
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"elements": [
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"density": 7.782509734029906,
"density_atomic": 0.07019961520691793,
"volume": 341.88221586768583,
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"formula_full": "Bi4 Te4 O16",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-117745",
"created_at": "2022-09-04T14:38:49.948728Z",
"updated_at": "2022-09-04T14:38:49.948754Z",
"structure_string": "Bi1 Te1 Pb1\n1.0\n6.235126 1.693056 0.000000\n1.565066 6.108790 0.000000\n0.000000 0.000000 3.254838\nBi Te Pb\n1 1 1\ndirect\n0.005300 -0.108031 0.000000 Bi\n-0.108520 0.444644 0.000000 Te\n0.454968 -0.003406 0.000000 Pb\n",
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"volume": 115.34928115475414,
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"formula_full": "Bi1 Te1 Pb1",
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"spacegroup": 6
},
{
"id": "jvasp-12980",
"created_at": "2022-09-04T14:36:53.253249Z",
"updated_at": "2022-09-04T14:36:53.253276Z",
"structure_string": "Bi4 Te4 Pd4\n1.0\n6.770177 0.000000 0.000000\n0.000000 6.770177 0.000000\n-0.000000 0.000000 6.770177\nBi Te Pd\n4 4 4\ndirect\n0.368491 0.368491 0.368491 Bi\n0.131509 0.631509 0.868491 Bi\n0.868491 0.131509 0.631509 Bi\n0.631509 0.868491 0.131509 Bi\n0.626061 0.626061 0.626061 Te\n0.873940 0.373940 0.126061 Te\n0.126061 0.873940 0.373940 Te\n0.373940 0.126061 0.873940 Te\n0.004071 0.004071 0.004071 Pd\n0.495929 0.995929 0.504072 Pd\n0.504072 0.495929 0.995929 Pd\n0.995929 0.504072 0.495929 Pd\n",
"nsites": 12,
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],
"chemical_system": "Bi-Pd-Te",
"density": 9.482287917440537,
"density_atomic": 0.03867062371867474,
"volume": 310.3130709061976,
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"formula_full": "Bi4 Te4 Pd4",
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{
"id": "jvasp-13041",
"created_at": "2022-09-04T14:37:51.628467Z",
"updated_at": "2022-09-04T14:37:51.628493Z",
"structure_string": "Bi4 Te4 Pt4\n1.0\n6.779918 -0.000000 -0.000000\n-0.000000 6.779918 -0.000000\n-0.000000 -0.000000 6.779918\nBi Te Pt\n4 4 4\ndirect\n0.368983 0.368983 0.368983 Bi\n0.131018 0.631018 0.868983 Bi\n0.868983 0.131018 0.631018 Bi\n0.631018 0.868983 0.131018 Bi\n0.627059 0.627059 0.627059 Te\n0.872941 0.372941 0.127059 Te\n0.127059 0.872941 0.372941 Te\n0.372941 0.127059 0.872941 Te\n0.004153 0.004153 0.004153 Pt\n0.495847 0.995847 0.504153 Pt\n0.504153 0.495847 0.995847 Pt\n0.995847 0.504153 0.495847 Pt\n",
"nsites": 12,
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"chemical_system": "Bi-Pt-Te",
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"volume": 311.65444391036567,
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"formula_full": "Bi4 Te4 Pt4",
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}