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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=1248",
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"results": [
{
"id": "jvasp-20909",
"created_at": "2022-09-04T14:38:34.239698Z",
"updated_at": "2022-09-04T14:38:34.239740Z",
"structure_string": "Ni4 Sb4 S4\n1.0\n5.979473 -0.000000 -0.000000\n-0.000000 5.979473 -0.000000\n-0.000000 -0.000000 5.979473\nNi Sb S\n4 4 4\ndirect\n0.518070 0.481930 0.981929 Ni\n0.481930 0.981929 0.518070 Ni\n0.018070 0.018070 0.018070 Ni\n0.981929 0.518070 0.481930 Ni\n0.628556 0.871443 0.128556 Sb\n0.128556 0.628556 0.871443 Sb\n0.371443 0.371443 0.371443 Sb\n0.871443 0.128556 0.628556 Sb\n0.380524 0.119476 0.880524 S\n0.880524 0.380524 0.119476 S\n0.119476 0.880524 0.380524 S\n0.619476 0.619476 0.619476 S\n",
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{
"id": "jvasp-21629",
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"updated_at": "2022-09-04T14:38:34.315129Z",
"structure_string": "Sb4 Te4 Pd4\n1.0\n6.653619 -0.000000 0.000000\n-0.000000 6.653619 0.000000\n-0.000000 0.000000 6.653619\nSb Te Pd\n4 4 4\ndirect\n0.626873 0.626873 0.626873 Sb\n0.873127 0.373127 0.126873 Sb\n0.126873 0.873127 0.373127 Sb\n0.373127 0.126873 0.873127 Sb\n0.373933 0.373933 0.373933 Te\n0.126067 0.626067 0.873933 Te\n0.873933 0.126067 0.626067 Te\n0.626067 0.873933 0.126067 Te\n0.004631 0.004631 0.004631 Pd\n0.495369 0.995369 0.504631 Pd\n0.504631 0.495369 0.995369 Pd\n0.995369 0.504631 0.495369 Pd\n",
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"volume": 294.5600100182606,
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"formula_full": "Sb4 Te4 Pd4",
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"spacegroup": 198
},
{
"id": "jvasp-119194",
"created_at": "2022-09-04T14:38:36.397867Z",
"updated_at": "2022-09-04T14:38:36.397885Z",
"structure_string": "Cu4 Se4 S4\n1.0\n5.998945 -0.000000 0.000000\n0.000000 5.998945 0.000000\n0.000000 -0.000000 5.998945\nCu Se S\n4 4 4\ndirect\n0.512519 0.487480 0.987479 Cu\n0.487480 0.987479 0.512519 Cu\n0.987479 0.512519 0.487480 Cu\n0.012520 0.012520 0.012520 Cu\n0.889992 0.110007 0.610006 Se\n0.110007 0.610006 0.889992 Se\n0.610006 0.889992 0.110007 Se\n0.389993 0.389993 0.389993 Se\n0.104403 0.895596 0.395596 S\n0.895596 0.395596 0.104403 S\n0.395596 0.104403 0.895596 S\n0.604403 0.604403 0.604403 S\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.371017257819447,
"density_atomic": 0.05558487141991912,
"volume": 215.88608003327573,
"volume_molar": 10.834136350708432,
"formula_full": "Cu4 Se4 S4",
"formula_reduced": "CuSeS",
"formula_anonymous": "ABC",
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"spacegroup": 198
},
{
"id": "jvasp-21252",
"created_at": "2022-09-04T14:38:36.248528Z",
"updated_at": "2022-09-04T14:38:36.248556Z",
"structure_string": "Tl12 Sb4 Se12\n1.0\n9.549086 -0.000000 -0.000000\n-0.000000 9.549086 -0.000000\n-0.000000 -0.000000 9.549086\nTl Sb Se\n12 4 12\ndirect\n0.692663 0.807338 0.192662 Tl\n0.807338 0.192662 0.692663 Tl\n0.192662 0.692663 0.807338 Tl\n0.307338 0.307338 0.307338 Tl\n0.447613 0.052388 0.947613 Tl\n0.052388 0.947613 0.447613 Tl\n0.947613 0.447613 0.052388 Tl\n0.552388 0.552388 0.552388 Tl\n0.910615 0.589386 0.410615 Tl\n0.589386 0.410615 0.910615 Tl\n0.410615 0.910615 0.589386 Tl\n0.089385 0.089385 0.089385 Tl\n0.198443 0.301558 0.698443 Sb\n0.301558 0.698443 0.198443 Sb\n0.698443 0.198443 0.301558 Sb\n0.801558 0.801558 0.801558 Sb\n0.893689 0.549589 0.738105 Se\n0.393689 0.950412 0.261895 Se\n0.106311 0.049589 0.761896 Se\n0.950412 0.261895 0.393689 Se\n0.761896 0.106311 0.049589 Se\n0.261895 0.393689 0.950412 Se\n0.549589 0.738105 0.893689 Se\n0.738105 0.893689 0.549589 Se\n0.049589 0.761896 0.106311 Se\n0.450411 0.238105 0.606311 Se\n0.238105 0.606311 0.450411 Se\n0.606311 0.450411 0.238105 Se\n",
"nsites": 28,
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"elements": [
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"Sb",
"Se"
],
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"density": 7.413035089722017,
"density_atomic": 0.03215678466012752,
"volume": 870.733821678332,
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"formula_full": "Tl12 Sb4 Se12",
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"formula_anonymous": "AB3C3",
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},
{
"id": "jvasp-26934",
"created_at": "2022-09-04T14:38:36.290328Z",
"updated_at": "2022-09-04T14:38:36.290361Z",
"structure_string": "Ni4 P4 S4\n1.0\n5.581358 0.000000 0.000000\n0.000000 5.581358 0.000000\n0.000000 0.000000 5.581358\nNi P S\n4 4 4\ndirect\n0.005625 0.005625 0.005625 Ni\n0.494375 0.994376 0.505625 Ni\n0.505625 0.494375 0.994376 Ni\n0.994376 0.505625 0.494375 Ni\n0.611687 0.611687 0.611687 P\n0.888313 0.388313 0.111687 P\n0.111687 0.888313 0.388313 P\n0.388313 0.111687 0.888313 P\n0.388703 0.388703 0.388703 S\n0.111297 0.611297 0.888704 S\n0.888704 0.111297 0.611297 S\n0.611297 0.888704 0.111297 S\n",
"nsites": 12,
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"P",
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],
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"density": 4.650447909998354,
"density_atomic": 0.06901787858019655,
"volume": 173.86799256740971,
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"formula_full": "Ni4 P4 S4",
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"formula_anonymous": "ABC",
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"spacegroup": 198
},
{
"id": "jvasp-54593",
"created_at": "2022-09-04T14:38:36.788773Z",
"updated_at": "2022-09-04T14:38:36.788800Z",
"structure_string": "K8 Rb4 Bi4 Se12\n1.0\n9.863491 0.000000 0.000000\n0.000000 9.863491 0.000000\n-0.000000 -0.000000 9.863491\nK Rb Bi Se\n8 4 4 12\ndirect\n0.178953 0.678953 0.821047 K\n0.678953 0.821047 0.178953 K\n0.821047 0.178953 0.678953 K\n0.321047 0.321047 0.321047 K\n0.685693 0.185693 0.314307 K\n0.185693 0.314307 0.685693 K\n0.314307 0.685693 0.185693 K\n0.814307 0.814307 0.814307 K\n0.928810 0.428810 0.071190 Rb\n0.428810 0.071190 0.928810 Rb\n0.071190 0.928810 0.428810 Rb\n0.571190 0.571190 0.571190 Rb\n0.035814 0.035814 0.035814 Bi\n0.535814 0.464186 0.964186 Bi\n0.964186 0.535814 0.464186 Bi\n0.464186 0.964186 0.535814 Bi\n0.001655 0.773066 0.108013 Se\n0.891987 0.501655 0.726934 Se\n0.273066 0.391987 0.998345 Se\n0.501655 0.726934 0.891987 Se\n0.391987 0.998345 0.273066 Se\n0.773066 0.108013 0.001655 Se\n0.998345 0.273066 0.391987 Se\n0.108013 0.001655 0.773066 Se\n0.726934 0.891987 0.501655 Se\n0.498345 0.226934 0.608013 Se\n0.608013 0.498345 0.226934 Se\n0.226934 0.608013 0.498345 Se\n",
"nsites": 28,
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"elements": [
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"Rb",
"Bi",
"Se"
],
"chemical_system": "Bi-K-Rb-Se",
"density": 4.218990150711366,
"density_atomic": 0.029178709041850943,
"volume": 959.6037974072011,
"volume_molar": 20.638818363631028,
"formula_full": "K8 Rb4 Bi4 Se12",
"formula_reduced": "K2RbBiSe3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 198
},
{
"id": "jvasp-20990",
"created_at": "2022-09-04T14:38:39.043120Z",
"updated_at": "2022-09-04T14:38:39.043145Z",
"structure_string": "Sb4 Pd4 Se4\n1.0\n6.429814 -0.000000 -0.000000\n0.000000 6.429814 -0.000000\n0.000000 -0.000000 6.429814\nSb Pd Se\n4 4 4\ndirect\n0.873400 0.626600 0.373400 Sb\n0.373400 0.873400 0.626600 Sb\n0.126600 0.126600 0.126600 Sb\n0.626600 0.373400 0.873400 Sb\n0.747131 0.247132 0.252868 Pd\n0.247132 0.252868 0.747131 Pd\n0.252868 0.747131 0.247132 Pd\n0.752868 0.752868 0.752868 Pd\n0.367962 0.367962 0.367962 Se\n0.132037 0.632037 0.867962 Se\n0.867962 0.132037 0.632037 Se\n0.632037 0.867962 0.132037 Se\n",
"nsites": 12,
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"elements": [
"Sb",
"Pd",
"Se"
],
"chemical_system": "Pd-Sb-Se",
"density": 7.674502623420389,
"density_atomic": 0.04514254256417116,
"volume": 265.8246372131504,
"volume_molar": 13.340278189779383,
"formula_full": "Sb4 Pd4 Se4",
"formula_reduced": "SbPdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2447817222222226,
"spacegroup": 198
},
{
"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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],
"chemical_system": "Bi-Ir-Te",
"density": 12.059328752527591,
"density_atomic": 0.041200831496486165,
"volume": 291.2562578020647,
"volume_molar": 14.61655151429068,
"formula_full": "Bi4 Te4 Ir4",
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"spacegroup": 198
},
{
"id": "jvasp-116842",
"created_at": "2022-09-04T14:38:44.646551Z",
"updated_at": "2022-09-04T14:38:44.646572Z",
"structure_string": "Na12 Co4 O12\n1.0\n7.387111 -0.000319 0.000122\n0.000231 7.387219 -0.000223\n-0.000118 0.000125 7.387029\nNa Co O\n12 4 12\ndirect\n0.043182 0.043183 0.043177 Na\n0.204092 0.295910 0.704092 Na\n0.227601 0.727598 0.772394 Na\n0.272397 0.272400 0.272401 Na\n0.295903 0.704101 0.204096 Na\n0.456813 0.956834 0.543191 Na\n0.543179 0.456820 0.956819 Na\n0.704093 0.204094 0.295905 Na\n0.727602 0.772402 0.227605 Na\n0.772398 0.227599 0.727598 Na\n0.795901 0.795900 0.795906 Na\n0.956813 0.543171 0.456814 Na\n0.017846 0.517850 0.982154 Co\n0.482154 0.482156 0.482154 Co\n0.517846 0.982151 0.017849 Co\n0.982159 0.017843 0.517843 Co\n0.001297 0.227045 0.399880 O\n0.100139 0.998701 0.727042 O\n0.227049 0.399882 0.001303 O\n0.272937 0.600107 0.501294 O\n0.399883 0.001303 0.227057 O\n0.498697 0.772945 0.899888 O\n0.501300 0.272952 0.600125 O\n0.600134 0.501302 0.272949 O\n0.727052 0.100113 0.998696 O\n0.772945 0.899890 0.498709 O\n0.899876 0.498698 0.772946 O\n-0.001300 0.727059 0.100115 O\n",
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"formula_full": "Na12 Co4 O12",
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"spacegroup": 198
},
{
"id": "jvasp-116961",
"created_at": "2022-09-04T14:38:48.482303Z",
"updated_at": "2022-09-04T14:38:48.482314Z",
"structure_string": "Na12 Sb4 Se12\n1.0\n8.977083 -0.000000 0.000000\n0.000000 8.977083 0.000000\n-0.000000 -0.000000 8.977083\nNa Sb Se\n12 4 12\ndirect\n0.918169 0.418169 0.081831 Na\n0.418169 0.081831 0.918169 Na\n0.081831 0.918169 0.418169 Na\n0.581831 0.581831 0.581831 Na\n0.176216 0.676216 0.823783 Na\n0.676216 0.823783 0.176216 Na\n0.823783 0.176216 0.676216 Na\n0.323784 0.323784 0.323784 Na\n0.685949 0.185950 0.314050 Na\n0.185950 0.314050 0.685949 Na\n0.314050 0.685949 0.185950 Na\n0.814050 0.814050 0.814050 Na\n0.039119 0.039119 0.039119 Sb\n0.539119 0.460881 0.960881 Sb\n0.960881 0.539119 0.460881 Sb\n0.460881 0.960881 0.539119 Sb\n0.997916 0.759471 0.115852 Se\n0.884148 0.497916 0.740528 Se\n0.259471 0.384148 0.002084 Se\n0.497916 0.740528 0.884148 Se\n0.384148 0.002084 0.259471 Se\n0.759471 0.115852 0.997916 Se\n0.002084 0.259471 0.384148 Se\n0.115852 0.997916 0.759471 Se\n0.740528 0.884148 0.497916 Se\n0.502084 0.240529 0.615852 Se\n0.615852 0.502084 0.240529 Se\n0.240529 0.615852 0.502084 Se\n",
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],
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"density_atomic": 0.03870368439117234,
"volume": 723.4453370642493,
"volume_molar": 15.559605899880552,
"formula_full": "Na12 Sb4 Se12",
"formula_reduced": "Na3SbSe3",
"formula_anonymous": "AB3C3",
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"spacegroup": 198
},
{
"id": "jvasp-117230",
"created_at": "2022-09-04T14:38:49.609132Z",
"updated_at": "2022-09-04T14:38:49.609169Z",
"structure_string": "As4 Rh4 S4\n1.0\n5.856399 -0.000000 0.000000\n0.000000 5.856399 0.000000\n0.000000 -0.000000 5.856399\nAs Rh S\n4 4 4\ndirect\n0.116813 0.883187 0.383187 As\n0.883187 0.383187 0.116813 As\n0.383187 0.116813 0.883187 As\n0.616813 0.616813 0.616813 As\n0.496699 0.503301 0.003301 Rh\n0.503301 0.003301 0.496699 Rh\n0.003301 0.496699 0.503301 Rh\n0.996699 0.996699 0.996699 Rh\n0.886277 0.113723 0.613723 S\n0.113723 0.613723 0.886277 S\n0.613723 0.886277 0.113723 S\n0.386277 0.386277 0.386277 S\n",
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],
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"volume": 200.85931321789866,
"volume_molar": 10.080025476292617,
"formula_full": "As4 Rh4 S4",
"formula_reduced": "AsRhS",
"formula_anonymous": "ABC",
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},
{
"id": "jvasp-97362",
"created_at": "2022-09-04T14:35:43.883453Z",
"updated_at": "2022-09-04T14:35:43.883476Z",
"structure_string": "Ge1 Bi12 O20\n1.0\n8.328630 -0.000000 -2.944615\n-4.164315 7.212805 -2.944615\n0.000000 0.000000 8.833846\nGe Bi O\n1 12 20\ndirect\n0.000000 0.000000 0.000000 Ge\n0.333655 0.189830 0.495220 Bi\n0.143825 0.305390 0.810170 Bi\n0.161565 0.856176 0.666345 Bi\n0.504780 0.694610 0.838434 Bi\n0.810170 0.143825 0.305390 Bi\n0.856175 0.666346 0.161565 Bi\n0.495220 0.333655 0.189830 Bi\n0.189830 0.495220 0.333655 Bi\n0.694610 0.838435 0.504779 Bi\n0.305390 0.810170 0.143824 Bi\n0.666345 0.161565 0.856175 Bi\n0.838435 0.504780 0.694610 Bi\n0.875414 0.254858 0.643079 O\n0.379443 0.124586 0.767664 O\n0.611779 0.232336 0.356921 O\n0.203013 0.000000 -0.000000 O\n0.356921 0.611779 0.232335 O\n0.745142 0.620557 0.388221 O\n0.388221 0.745143 0.620557 O\n0.620557 0.388221 0.745142 O\n0.232336 0.356921 0.611779 O\n0.767664 0.379443 0.124585 O\n0.254857 0.643079 0.875414 O\n0.392250 0.392250 0.392249 O\n-0.000000 0.607751 -0.000000 O\n0.000000 0.000000 0.607751 O\n0.607750 0.000000 -0.000000 O\n0.796987 0.796988 0.796987 O\n-0.000000 0.203013 -0.000000 O\n0.000000 0.000000 0.203013 O\n0.124585 0.767665 0.379443 O\n0.643079 0.875415 0.254857 O\n",
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"elements": [
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],
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"density": 9.075662386803602,
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"volume": 530.6737235938107,
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"formula_full": "Ge1 Bi12 O20",
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"spacegroup": 197
}
]
}