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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3560",
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{
"id": "jvasp-66683",
"created_at": "2022-09-04T14:36:06.508670Z",
"updated_at": "2022-09-04T14:36:06.508697Z",
"structure_string": "Ba4 Bi1 Pt1\n1.0\n-0.000000 4.852655 4.852655\n4.852655 -0.000000 4.852655\n4.852655 4.852655 -0.000000\nBa Bi Pt\n4 1 1\ndirect\n0.124228 0.625257 0.625257 Ba\n0.625257 0.625257 0.625257 Ba\n0.625257 0.124228 0.625257 Ba\n0.625257 0.625257 0.124228 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-33078",
"created_at": "2022-09-04T14:37:08.722453Z",
"updated_at": "2022-09-04T14:37:08.722473Z",
"structure_string": "Al6 Bi10 Br24\n1.0\n10.820129 0.111962 6.429685\n3.712224 10.164011 6.429685\n0.158338 0.111962 12.585347\nAl Bi Br\n6 10 24\ndirect\n0.769900 0.730100 0.250000 Al\n0.250000 0.769900 0.730100 Al\n0.230100 0.269900 0.750000 Al\n0.269900 0.750000 0.230100 Al\n0.730100 0.250000 0.769900 Al\n0.750000 0.230100 0.269900 Al\n0.250000 0.405321 0.094679 Bi\n0.094679 0.250000 0.405321 Bi\n0.405321 0.094679 0.250000 Bi\n0.750000 0.594678 0.905321 Bi\n0.327315 0.327314 0.327314 Bi\n0.594679 0.905321 0.750000 Bi\n0.827315 0.827314 0.827314 Bi\n0.672685 0.672685 0.672685 Bi\n0.172685 0.172685 0.172685 Bi\n0.905321 0.750000 0.594678 Bi\n0.309237 0.932317 0.039624 Br\n0.595648 0.771375 0.200561 Br\n0.799439 0.404352 0.228624 Br\n0.039625 0.309237 0.932318 Br\n0.690763 0.067682 0.960375 Br\n0.299439 0.728625 0.904352 Br\n0.190763 0.460375 0.567683 Br\n0.932318 0.039624 0.309237 Br\n0.904352 0.299439 0.728625 Br\n0.960375 0.690762 0.067682 Br\n0.728625 0.904352 0.299439 Br\n0.809237 0.539624 0.432317 Br\n0.567683 0.190762 0.460375 Br\n0.771375 0.200561 0.595648 Br\n0.700561 0.271375 0.095648 Br\n0.460375 0.567682 0.190762 Br\n0.539625 0.432317 0.809237 Br\n0.228625 0.799439 0.404352 Br\n0.432317 0.809237 0.539624 Br\n0.404352 0.228625 0.799439 Br\n0.067682 0.960375 0.690763 Br\n0.200561 0.595648 0.771375 Br\n0.095648 0.700561 0.271375 Br\n0.271375 0.095648 0.700561 Br\n",
"nsites": 40,
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"elements": [
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],
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"density": 5.077678694498043,
"density_atomic": 0.029336187287223415,
"volume": 1363.5037030671303,
"volume_molar": 20.52802806662876,
"formula_full": "Al6 Bi10 Br24",
"formula_reduced": "Al3Bi5Br12",
"formula_anonymous": "A3B5C12",
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"spacegroup": 167
},
{
"id": "jvasp-57706",
"created_at": "2022-09-04T14:38:05.079248Z",
"updated_at": "2022-09-04T14:38:05.079276Z",
"structure_string": "Yb4 Cd2 S8\n1.0\n6.898718 0.000000 3.982976\n2.299572 6.504174 3.982976\n-0.000000 0.000000 7.965953\nYb Cd S\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Yb\n0.500000 0.500000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 -0.000000 0.500000 Yb\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875000 0.875001 Cd\n0.745006 0.745005 0.745006 S\n0.254994 0.254994 0.735018 S\n0.254994 0.735018 0.254995 S\n0.735018 0.254994 0.254995 S\n0.745006 0.264982 0.745006 S\n0.264982 0.745005 0.745006 S\n0.254994 0.254994 0.254995 S\n0.745006 0.745005 0.264983 S\n",
"nsites": 14,
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"elements": [
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"Cd",
"S"
],
"chemical_system": "Cd-S-Yb",
"density": 5.451733882191321,
"density_atomic": 0.03916785175512984,
"volume": 357.4359933632666,
"volume_molar": 15.375213319457268,
"formula_full": "Yb4 Cd2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-17771",
"created_at": "2022-09-04T14:38:11.760300Z",
"updated_at": "2022-09-04T14:38:11.760330Z",
"structure_string": "Nd1 Pb3\n1.0\n4.920423 -0.000000 0.000000\n-0.000000 4.920423 -0.000000\n-0.000000 -0.000000 4.920423\nNd Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 10.675321368715252,
"density_atomic": 0.03357783352851151,
"volume": 119.12620856266776,
"volume_molar": 17.934869904237562,
"formula_full": "Nd1 Pb3",
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"formula_anonymous": "AB3",
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"spacegroup": 221
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{
"id": "jvasp-91924",
"created_at": "2022-09-04T14:35:49.049529Z",
"updated_at": "2022-09-04T14:35:49.049562Z",
"structure_string": "Tm2 Ag2 Te4\n1.0\n0.000000 0.000000 4.635851\n7.046762 0.000000 -0.000000\n0.000000 7.046762 0.000000\nTm Ag Te\n2 2 4\ndirect\n0.809587 0.000000 0.500000 Tm\n0.190413 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.294616 0.202095 0.702095 Te\n0.705383 0.297905 0.202095 Te\n0.294616 0.797905 0.297905 Te\n0.705383 0.702095 0.797905 Te\n",
"nsites": 8,
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"elements": [
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],
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"density": 7.675099536187898,
"density_atomic": 0.034752120592767284,
"volume": 230.2017794466616,
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"formula_full": "Tm2 Ag2 Te4",
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"spacegroup": 113
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{
"id": "jvasp-41425",
"created_at": "2022-09-04T14:38:02.701076Z",
"updated_at": "2022-09-04T14:38:02.701085Z",
"structure_string": "U1 F3\n1.0\n-1.853129 1.853129 3.488167\n1.853129 -1.853129 3.488167\n1.853129 1.853129 -3.488167\nU F\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.749999 0.250000 0.499999 F\n0.250000 0.749999 0.499999 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 4,
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"elements": [
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"density": 10.224405260707027,
"density_atomic": 0.08348172721880798,
"volume": 47.91467705879978,
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"formula_full": "U1 F3",
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"spacegroup": 139
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{
"id": "jvasp-102195",
"created_at": "2022-09-04T14:36:31.821895Z",
"updated_at": "2022-09-04T14:36:31.821921Z",
"structure_string": "Mg1 In2 Se4\n1.0\n4.079666 0.012300 12.905915\n2.001508 3.554968 12.905915\n0.020967 0.012300 13.535358\nMg In Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.763614 0.763614 0.763612 In\n0.236387 0.236387 0.236386 In\n0.872122 0.872121 0.872119 Se\n0.700292 0.700292 0.700290 Se\n0.127880 0.127880 0.127879 Se\n0.299709 0.299709 0.299708 Se\n",
"nsites": 7,
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"elements": [
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"In",
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],
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"density": 4.859927616717878,
"density_atomic": 0.035955951042559074,
"volume": 194.6826546658295,
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"formula_full": "Mg1 In2 Se4",
"formula_reduced": "Mg(InSe2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 166
},
{
"id": "jvasp-101007",
"created_at": "2022-09-04T14:36:40.156120Z",
"updated_at": "2022-09-04T14:36:40.156145Z",
"structure_string": "Nd2 Tl1 Ag1\n1.0\n4.679787 -0.000000 2.701876\n1.559929 4.412145 2.701876\n-0.000000 -0.000000 5.403752\nNd Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750001 0.750000 Nd\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.500000 Ag\n",
"nsites": 4,
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"volume": 111.5761245071678,
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"formula_full": "Nd2 Tl1 Ag1",
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},
{
"id": "jvasp-42378",
"created_at": "2022-09-04T14:37:12.876144Z",
"updated_at": "2022-09-04T14:37:12.876173Z",
"structure_string": "Na8 Sn4 O8\n1.0\n5.152919 0.000000 0.000000\n0.000000 6.657421 0.000000\n0.000000 0.000000 9.655585\nNa Sn O\n8 4 8\ndirect\n-0.006147 0.623526 0.422574 Na\n0.008623 0.128862 0.759304 Na\n0.491377 0.871137 0.259305 Na\n0.506147 0.376474 0.922574 Na\n0.493854 0.876474 0.577426 Na\n0.508623 0.371138 0.240695 Na\n0.991377 0.628862 0.740695 Na\n0.006147 0.123526 0.077426 Na\n0.015026 0.601569 0.074069 Sn\n0.484974 0.398431 0.574068 Sn\n0.515026 0.898431 0.925931 Sn\n-0.015026 0.101569 0.425931 Sn\n0.001394 0.891756 0.580220 O\n0.077762 0.343186 0.557568 O\n0.422238 0.656814 0.057568 O\n0.498606 0.108244 0.080220 O\n0.501394 0.608244 0.419780 O\n0.577762 0.156814 0.442432 O\n0.922238 0.843186 0.942431 O\n0.998606 0.391756 0.919780 O\n",
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"elements": [
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"density_atomic": 0.060379855166760296,
"volume": 331.23630298156456,
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"formula_anonymous": "AB2C2",
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"spacegroup": 19
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{
"id": "jvasp-23900",
"created_at": "2022-09-04T14:37:35.963848Z",
"updated_at": "2022-09-04T14:37:35.963878Z",
"structure_string": "Rb2 V2 Cl6\n1.0\n3.622367 -6.274123 -0.000000\n3.622367 6.274123 0.000000\n-0.000000 0.000000 5.206061\nRb V Cl\n2 2 6\ndirect\n0.666667 0.333334 0.750000 Rb\n0.333334 0.666667 0.250000 Rb\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.834123 0.165877 0.250000 Cl\n0.165877 0.331753 0.750000 Cl\n0.668248 0.834124 0.750000 Cl\n0.331753 0.165877 0.250000 Cl\n0.165877 0.834123 0.750000 Cl\n0.834124 0.668248 0.250000 Cl\n",
"nsites": 10,
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{
"id": "jvasp-16572",
"created_at": "2022-09-04T14:37:56.102655Z",
"updated_at": "2022-09-04T14:37:56.102675Z",
"structure_string": "Lu1 Pb2\n1.0\n3.711063 -0.000000 -1.008814\n-0.274236 3.700916 -1.008814\n-0.266575 -0.287059 6.349602\nLu Pb\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.340485 0.340485 0.680971 Pb\n0.659514 0.659516 0.319030 Pb\n",
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{
"id": "jvasp-90584",
"created_at": "2022-09-04T14:37:51.752991Z",
"updated_at": "2022-09-04T14:37:51.753012Z",
"structure_string": "Mg4 Sb4\n1.0\n11.995066 0.000000 1.319001\n0.000000 4.103714 0.000000\n-1.909105 0.000000 3.938772\nMg Sb\n4 4\ndirect\n0.863623 0.499999 0.720076 Mg\n0.636377 0.000000 0.279923 Mg\n0.363623 0.000000 0.720077 Mg\n0.136377 0.499999 0.279923 Mg\n0.616774 0.499999 0.756351 Sb\n0.883226 0.000000 0.243648 Sb\n0.116774 0.000000 0.756351 Sb\n0.383226 0.499999 0.243649 Sb\n",
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}