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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=646",
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"results": [
{
"id": "jvasp-21248",
"created_at": "2022-09-04T14:36:38.111651Z",
"updated_at": "2022-09-04T14:36:38.111680Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n0.000000 7.100730 -0.053892\n12.462921 0.000000 0.000000\n0.000000 -6.655600 -8.391035\nRb Sb S\n4 8 14\ndirect\n0.149867 0.437019 0.852868 Rb\n0.149867 0.062981 0.352868 Rb\n0.850133 0.562981 0.147132 Rb\n0.850132 0.937019 0.647131 Rb\n0.594519 0.363232 0.347982 Sb\n0.405481 0.863232 0.152017 Sb\n0.405481 0.636768 0.652017 Sb\n0.594518 0.136768 0.847982 Sb\n0.672312 0.654904 0.451353 Sb\n0.672311 0.845096 0.951353 Sb\n0.327688 0.345096 0.548646 Sb\n0.327688 0.154904 0.048646 Sb\n0.319763 0.699096 0.830334 S\n0.829653 0.728675 0.850150 S\n0.170346 0.228675 0.649849 S\n0.680237 0.300904 0.169665 S\n0.319763 0.800904 0.330334 S\n0.680236 0.199096 0.669665 S\n0.170346 0.271324 0.149850 S\n0.000000 0.000000 0.000000 S\n0.380102 0.962513 0.718183 S\n0.380103 0.537487 0.218184 S\n0.619897 0.037487 0.281816 S\n0.829654 0.771324 0.350150 S\n-0.000000 0.500000 0.500000 S\n0.619897 0.462513 0.781816 S\n",
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"formula_full": "Rb4 Sb8 S14",
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{
"id": "jvasp-102320",
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"structure_string": "Tm2 Te1 S2\n1.0\n4.919882 -0.012249 -5.524574\n-0.464795 3.916569 -6.258403\n0.034032 0.012255 7.397726\nTm Te S\n2 1 2\ndirect\n0.831920 0.331917 0.499966 Tm\n0.168080 0.668082 0.500034 Tm\n0.000000 0.000000 0.000000 Te\n0.699368 0.699338 -0.000032 S\n0.300633 0.300662 0.000033 S\n",
"nsites": 5,
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"elements": [
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"Te",
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],
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"density": 6.121832975105001,
"density_atomic": 0.03480612715766049,
"volume": 143.6528682824038,
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"formula_full": "Tm2 Te1 S2",
"formula_reduced": "Tm2TeS2",
"formula_anonymous": "AB2C2",
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"spacegroup": 71
},
{
"id": "jvasp-7645",
"created_at": "2022-09-04T14:36:35.291951Z",
"updated_at": "2022-09-04T14:36:35.291977Z",
"structure_string": "Lu1\n1.0\n3.150596 0.000000 -1.113904\n-1.575299 2.728497 -1.113904\n-0.000000 -0.000000 3.341712\nLu\n1\ndirect\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 1,
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"elements": [
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],
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"density": 10.113931939866998,
"density_atomic": 0.03481086250549375,
"volume": 28.72666541491705,
"volume_molar": 17.29960226940543,
"formula_full": "Lu1",
"formula_reduced": "Lu",
"formula_anonymous": "A",
"energy_above_hull": 0.14646,
"spacegroup": 229
},
{
"id": "jvasp-25068",
"created_at": "2022-09-04T14:37:55.884790Z",
"updated_at": "2022-09-04T14:37:55.884815Z",
"structure_string": "Lu1\n1.0\n3.150596 0.000000 -1.113904\n-1.575299 2.728497 -1.113904\n-0.000000 -0.000000 3.341712\nLu\n1\ndirect\n0.000000 0.000000 0.000000 Lu\n",
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"elements": [
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"spacegroup": 229
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{
"id": "jvasp-117838",
"created_at": "2022-09-04T14:38:29.021355Z",
"updated_at": "2022-09-04T14:38:29.021382Z",
"structure_string": "P1 Br2\n1.0\n3.979001 0.177526 -0.193960\n0.198039 -3.870869 0.515509\n-0.404648 2.519776 -5.905804\nP Br\n1 2\ndirect\n0.961521 0.932075 0.005395 P\n0.461510 0.386745 0.958284 Br\n0.962049 0.258581 0.408222 Br\n",
"nsites": 3,
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"elements": [
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"volume": 86.17135043344285,
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"formula_full": "P1 Br2",
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"spacegroup": 6
},
{
"id": "jvasp-65266",
"created_at": "2022-09-04T14:35:47.876059Z",
"updated_at": "2022-09-04T14:35:47.876069Z",
"structure_string": "Sr1 Be1 Sn4\n1.0\n-0.000000 4.416854 4.416854\n4.416854 0.000000 4.416854\n4.416854 4.416854 0.000000\nSr Be Sn\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.124433 0.625188 0.625188 Sn\n0.625188 0.625188 0.625188 Sn\n0.625188 0.124433 0.625188 Sn\n0.625188 0.625188 0.124433 Sn\n",
"nsites": 6,
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"volume": 172.3332693281464,
"volume_molar": 17.296920092084804,
"formula_full": "Sr1 Be1 Sn4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-33040",
"created_at": "2022-09-04T14:37:34.034216Z",
"updated_at": "2022-09-04T14:37:34.034255Z",
"structure_string": "Al4 Bi4 Se4 Cl16\n1.0\n9.686879 -0.029973 -3.064041\n-5.205542 8.169463 -3.064098\n0.016537 0.029965 10.159943\nAl Bi Se Cl\n4 4 4 16\ndirect\n0.145576 0.020612 0.730790 Al\n0.979388 0.710178 0.124964 Al\n0.289821 0.414785 0.269209 Al\n0.585216 0.854424 0.875035 Al\n0.787887 0.190069 0.721272 Bi\n0.468797 0.066615 0.278729 Bi\n0.809933 0.531204 0.597818 Bi\n0.933386 0.212114 0.402182 Bi\n0.735468 0.327544 0.294657 Se\n0.672457 0.967114 0.407924 Se\n0.032887 0.440810 0.705342 Se\n0.559190 0.264533 0.592077 Se\n0.194117 0.503388 0.417149 Cl\n0.554280 0.571285 0.382275 Cl\n0.032997 0.778484 0.955349 Cl\n0.360358 0.141015 0.950920 Cl\n0.827996 0.445721 0.017006 Cl\n0.858985 0.809905 0.219342 Cl\n0.086239 0.776968 0.582851 Cl\n0.223033 0.805883 0.309271 Cl\n0.922354 0.967004 0.745487 Cl\n0.190095 0.409437 0.049080 Cl\n0.189010 0.172004 0.617725 Cl\n0.221517 0.176868 0.254513 Cl\n0.590564 0.639644 0.780658 Cl\n0.496613 0.913761 0.690728 Cl\n0.823133 0.077646 0.044650 Cl\n0.428715 0.810990 0.982995 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Al",
"Bi",
"Se",
"Cl"
],
"chemical_system": "Al-Bi-Cl-Se",
"density": 3.772219831838578,
"density_atomic": 0.03481630293937638,
"volume": 804.2209435262206,
"volume_molar": 17.296899014481827,
"formula_full": "Al4 Bi4 Se4 Cl16",
"formula_reduced": "AlBiSeCl4",
"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-109206",
"created_at": "2022-09-04T14:38:16.791227Z",
"updated_at": "2022-09-04T14:38:16.791253Z",
"structure_string": "Ag2 Sb2 Te4\n1.0\n6.136205 0.000000 0.000000\n0.000000 6.136205 0.000000\n0.000000 0.000000 6.102123\nAg Sb Te\n2 2 4\ndirect\n-0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n-0.000000 0.500000 -0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 -0.000000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 8,
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"Sb",
"Te"
],
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"density": 7.007874051035754,
"density_atomic": 0.03481843999855865,
"volume": 229.7633093364082,
"volume_molar": 17.295837378840908,
"formula_full": "Ag2 Sb2 Te4",
"formula_reduced": "AgSbTe2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-91734",
"created_at": "2022-09-04T14:35:49.360265Z",
"updated_at": "2022-09-04T14:35:49.360297Z",
"structure_string": "Na4 Mg2 Pb2\n1.0\n-2.560589 -4.434920 0.000000\n-2.560589 4.434920 -0.000000\n0.000000 0.000000 -10.116342\nNa Mg Pb\n4 2 2\ndirect\n0.666675 0.333326 0.078895 Na\n0.333326 0.666675 0.921104 Na\n0.333326 0.666675 0.578895 Na\n0.666675 0.333326 0.421105 Na\n-0.000012 0.000012 0.750000 Mg\n0.000012 -0.000012 0.250000 Mg\n0.666655 0.333346 0.750000 Pb\n0.333346 0.666655 0.250000 Pb\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.010871221002233,
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"formula_full": "Na4 Mg2 Pb2",
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},
{
"id": "jvasp-110581",
"created_at": "2022-09-04T14:38:39.164882Z",
"updated_at": "2022-09-04T14:38:39.164900Z",
"structure_string": "In1 Ag1 Se2\n1.0\n4.130505 -0.031529 6.135249\n1.849491 3.693433 6.135249\n-0.051488 -0.031529 7.395925\nIn Ag Se\n1 1 2\ndirect\n0.507882 0.507881 0.507881 In\n0.988934 0.988932 0.988933 Ag\n0.122736 0.122736 0.122736 Se\n0.630449 0.630448 0.630449 Se\n",
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"formula_full": "In1 Ag1 Se2",
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},
{
"id": "jvasp-96840",
"created_at": "2022-09-04T14:36:33.197879Z",
"updated_at": "2022-09-04T14:36:33.197889Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.290520 0.108827 10.774529\n2.154919 3.711702 10.774529\n0.183597 0.108827 11.595919\nCa Si Br\n3 1 2\ndirect\n0.119957 0.119957 0.119957 Ca\n-0.000501 -0.000501 -0.000501 Ca\n0.900727 0.900728 0.900725 Ca\n0.283823 0.283823 0.283822 Si\n0.503651 0.503651 0.503650 Br\n0.735344 0.735344 0.735342 Br\n",
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"formula_full": "Ca3 Si1 Br2",
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},
{
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"created_at": "2022-09-04T14:36:13.106210Z",
"updated_at": "2022-09-04T14:36:13.106235Z",
"structure_string": "Na4 Hg2 Pb2\n1.0\n0.000000 -0.000000 6.102470\n4.818849 3.906414 0.000000\n-4.818849 3.906414 0.000000\nNa Hg Pb\n4 2 2\ndirect\n0.250000 0.137045 0.511216 Na\n0.750000 0.488783 0.862954 Na\n0.750000 0.862954 0.488783 Na\n0.250000 0.511216 0.137045 Na\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.250000 0.665043 0.665043 Pb\n0.750000 0.334956 0.334956 Pb\n",
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}
]
}