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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4594",
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"results": [
{
"id": "jvasp-4645",
"created_at": "2022-09-04T14:38:36.838031Z",
"updated_at": "2022-09-04T14:38:36.838053Z",
"structure_string": "Tl16 Sn4 S12\n1.0\n8.125856 0.000000 0.000000\n0.000000 8.125856 0.000000\n0.000000 0.000000 13.656656\nTl Sn S\n16 4 12\ndirect\n0.145966 0.155633 0.602367 Tl\n0.854034 0.155633 0.102367 Tl\n0.145966 0.844367 0.102367 Tl\n0.155633 0.854034 0.397633 Tl\n0.844367 0.145966 0.397633 Tl\n0.344367 0.354034 0.102367 Tl\n0.645966 0.655634 0.397633 Tl\n0.354034 0.344367 0.397633 Tl\n0.655634 0.645966 0.102367 Tl\n0.645966 0.344367 0.897634 Tl\n0.354034 0.655634 0.897634 Tl\n0.344367 0.645966 0.602367 Tl\n0.655634 0.354034 0.602367 Tl\n0.155633 0.145966 0.897634 Tl\n0.854034 0.844367 0.602367 Tl\n0.844367 0.854034 0.897634 Tl\n0.500000 0.000000 0.743406 Sn\n0.000000 0.500000 0.756594 Sn\n0.000000 0.500000 0.256594 Sn\n0.500000 0.000000 0.243406 Sn\n0.000000 0.500000 0.570054 S\n0.666631 0.333370 0.250000 S\n0.500000 0.000000 0.429946 S\n0.166631 0.166631 0.250000 S\n0.833370 0.833370 0.250000 S\n0.166631 0.833370 0.750000 S\n0.833370 0.166631 0.750000 S\n0.333370 0.333370 0.750000 S\n0.666631 0.666631 0.750000 S\n0.000000 0.500000 0.070054 S\n0.333370 0.666631 0.250000 S\n0.500000 0.000000 0.929946 S\n",
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"density": 7.6048480341681115,
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"formula_full": "Tl16 Sn4 S12",
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{
"id": "jvasp-10136",
"created_at": "2022-09-04T14:36:52.400582Z",
"updated_at": "2022-09-04T14:36:52.400606Z",
"structure_string": "Tl4 Sn4 S10\n1.0\n6.584469 0.024624 1.769976\n2.004383 6.272024 1.769976\n-0.051172 -0.037516 11.663986\nTl Sn S\n4 4 10\ndirect\n0.548703 0.892460 0.683140 Tl\n0.451298 0.107538 0.316861 Tl\n0.892461 0.548701 0.183140 Tl\n0.107539 0.451297 0.816861 Tl\n0.748717 0.064864 0.940689 Sn\n0.935135 0.251283 0.559312 Sn\n0.251284 0.935134 0.059312 Sn\n0.064865 0.748715 0.440689 Sn\n0.743776 0.648889 0.460002 S\n0.672275 0.327725 0.750001 S\n0.256225 0.351109 0.540000 S\n0.152861 0.876256 0.882777 S\n0.123743 0.847139 0.617225 S\n0.847140 0.123742 0.117225 S\n0.876258 0.152859 0.382776 S\n0.327726 0.672273 0.250001 S\n0.648891 0.743774 0.960002 S\n0.351110 0.256224 0.039999 S\n",
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"elements": [
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],
"chemical_system": "S-Sn-Tl",
"density": 5.5571101585970775,
"density_atomic": 0.037344942893464024,
"volume": 481.9929716146465,
"volume_molar": 16.12571955774492,
"formula_full": "Tl4 Sn4 S10",
"formula_reduced": "Tl2Sn2S5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.1354087333333336,
"spacegroup": 15
},
{
"id": "jvasp-7902",
"created_at": "2022-09-04T14:37:05.160802Z",
"updated_at": "2022-09-04T14:37:05.160823Z",
"structure_string": "Sr2 S4\n1.0\n5.189528 0.005304 -2.539649\n-3.170575 4.779208 -0.698330\n0.003519 -0.005304 5.777630\nSr S\n2 4\ndirect\n-0.000000 0.750001 0.750000 Sr\n-0.000000 0.250000 0.250000 Sr\n0.253914 0.376957 0.876957 S\n0.500000 0.876957 0.623043 S\n0.746086 0.623043 0.123043 S\n0.500000 0.123043 0.376957 S\n",
"nsites": 6,
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"elements": [
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"chemical_system": "S-Sr",
"density": 3.5151038010701665,
"density_atomic": 0.04184866533780088,
"volume": 143.37374804114353,
"volume_molar": 14.390281533209011,
"formula_full": "Sr2 S4",
"formula_reduced": "SrS2",
"formula_anonymous": "AB2",
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"spacegroup": 140
},
{
"id": "jvasp-7663",
"created_at": "2022-09-04T14:37:05.088219Z",
"updated_at": "2022-09-04T14:37:05.088241Z",
"structure_string": "Sr1 S1\n1.0\n3.644661 0.000000 0.000000\n-0.000000 3.644661 -0.000000\n0.000000 0.000000 3.644661\nSr S\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
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"elements": [
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"chemical_system": "S-Sr",
"density": 4.105040089753321,
"density_atomic": 0.041310321685224756,
"volume": 48.41405049419718,
"volume_molar": 14.577811341890147,
"formula_full": "Sr1 S1",
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"spacegroup": 221
},
{
"id": "jvasp-7723",
"created_at": "2022-09-04T14:36:36.670884Z",
"updated_at": "2022-09-04T14:36:36.670910Z",
"structure_string": "Sr2 S6\n1.0\n5.400052 -0.006317 0.000000\n-0.677942 5.357331 0.000000\n0.000000 -0.000000 6.875470\nSr S\n2 6\ndirect\n0.001216 0.001216 0.000000 Sr\n0.501216 0.501215 0.500000 Sr\n0.537018 0.537017 0.000000 S\n0.037018 0.037018 0.500000 S\n0.191290 0.526577 0.859177 S\n0.526577 0.191289 0.140823 S\n0.691289 0.026577 0.640823 S\n0.026577 0.691289 0.359177 S\n",
"nsites": 8,
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"elements": [
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"chemical_system": "S-Sr",
"density": 3.0695557315793995,
"density_atomic": 0.040225872083614604,
"volume": 198.8769810476944,
"volume_molar": 14.970814672413347,
"formula_full": "Sr2 S6",
"formula_reduced": "SrS3",
"formula_anonymous": "AB3",
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"spacegroup": 41
},
{
"id": "jvasp-78461",
"created_at": "2022-09-04T14:36:32.472216Z",
"updated_at": "2022-09-04T14:36:32.472253Z",
"structure_string": "Sr1 S1\n1.0\n-3.014341 -3.014341 0.000000\n-3.014341 -0.000000 -3.014341\n0.000000 -3.014341 -3.014341\nSr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
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"elements": [
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"chemical_system": "S-Sr",
"density": 3.6281203417079047,
"density_atomic": 0.036510926848869724,
"volume": 54.7781218559209,
"volume_molar": 16.494078019239403,
"formula_full": "Sr1 S1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-1276",
"created_at": "2022-09-04T14:36:15.387016Z",
"updated_at": "2022-09-04T14:36:15.387050Z",
"structure_string": "Sr1 S1\n1.0\n3.691798 0.000000 2.131461\n1.230599 3.480661 2.131461\n0.000000 0.000000 4.262922\nSr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.499999 S\n",
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"elements": [
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"density": 3.6281211285059967,
"density_atomic": 0.036510934766668716,
"volume": 54.77810997668087,
"volume_molar": 16.494074442316624,
"formula_full": "Sr1 S1",
"formula_reduced": "SrS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-53419",
"created_at": "2022-09-04T14:38:13.264448Z",
"updated_at": "2022-09-04T14:38:13.264483Z",
"structure_string": "Sr4 U4 S8\n1.0\n9.109587 -0.000000 -0.497356\n-5.838602 5.665512 -4.128515\n2.567617 0.000000 8.754385\nSr U S\n4 4 8\ndirect\n0.140576 0.890575 0.249999 Sr\n0.250000 0.109424 0.859425 Sr\n0.359425 0.609424 0.750000 Sr\n0.750000 0.390575 0.640575 Sr\n0.250000 0.590393 0.340393 U\n0.750001 0.909606 0.159606 U\n0.659607 0.409606 0.250000 U\n0.840394 0.090394 0.750000 U\n0.013707 0.708644 0.468999 S\n0.969000 0.208645 0.513706 S\n0.305062 0.291355 0.260355 S\n0.194938 0.455292 0.986293 S\n0.760355 0.791355 0.805062 S\n0.486294 0.955292 0.694937 S\n0.531001 0.044707 0.239645 S\n0.739646 0.544707 0.031000 S\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "S-Sr-U",
"density": 5.639812399831114,
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"volume": 459.0529340381231,
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"formula_full": "Sr4 U4 S8",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-97823",
"created_at": "2022-09-04T14:36:15.042041Z",
"updated_at": "2022-09-04T14:36:15.042059Z",
"structure_string": "Sr4 Y8 S16\n1.0\n3.984472 0.000000 0.000000\n0.000000 11.983402 0.000000\n0.000000 0.000000 14.328306\nSr Y S\n4 8 16\ndirect\n0.750000 0.742436 0.837883 Sr\n0.250000 0.257563 0.162117 Sr\n0.750000 0.242436 0.662117 Sr\n0.250000 0.757563 0.337883 Sr\n0.750000 0.580822 0.100655 Y\n0.750000 0.080822 0.399345 Y\n0.250000 0.919178 0.600655 Y\n0.750000 0.068406 0.890145 Y\n0.250000 0.931594 0.109855 Y\n0.750000 0.568406 0.609855 Y\n0.250000 0.431594 0.390145 Y\n0.250000 0.419178 0.899346 Y\n0.250000 0.522257 0.216053 S\n0.750000 0.477743 0.783948 S\n0.250000 0.631116 0.973030 S\n0.250000 0.913672 0.921143 S\n0.750000 0.086328 0.078857 S\n0.250000 0.413672 0.578858 S\n0.750000 0.586328 0.421143 S\n0.250000 0.207705 0.825030 S\n0.750000 0.792295 0.174970 S\n0.250000 0.707705 0.674970 S\n0.750000 0.292295 0.325030 S\n0.750000 0.868884 0.473030 S\n0.250000 0.131116 0.526971 S\n0.750000 0.368884 0.026971 S\n0.750000 0.977743 0.716053 S\n0.250000 0.022257 0.283947 S\n",
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"volume": 684.1412167691825,
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"formula_full": "Sr4 Y8 S16",
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{
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"created_at": "2022-09-04T14:36:09.018010Z",
"updated_at": "2022-09-04T14:36:09.018038Z",
"structure_string": "Sr4 Y8 S16\n1.0\n3.987291 0.000000 0.000000\n-0.000000 11.978445 0.000000\n0.000000 0.000000 14.332949\nSr Y S\n4 8 16\ndirect\n0.750000 0.742659 0.838059 Sr\n0.250000 0.257341 0.161941 Sr\n0.750000 0.242659 0.661941 Sr\n0.250000 0.757341 0.338059 Sr\n0.750000 0.580628 0.100815 Y\n0.750000 0.080628 0.399185 Y\n0.250000 0.919372 0.600815 Y\n0.750000 0.068898 0.890245 Y\n0.250000 0.931103 0.109756 Y\n0.750000 0.568898 0.609756 Y\n0.250000 0.431102 0.390244 Y\n0.250000 0.419372 0.899185 Y\n0.250000 0.521836 0.216074 S\n0.750000 0.478164 0.783926 S\n0.250000 0.631259 0.973307 S\n0.250000 0.914075 0.920988 S\n0.750000 0.085925 0.079012 S\n0.250000 0.414075 0.579012 S\n0.750000 0.585925 0.420988 S\n0.250000 0.207914 0.824743 S\n0.750000 0.792086 0.175257 S\n0.250000 0.707915 0.675257 S\n0.750000 0.292086 0.324743 S\n0.750000 0.868741 0.473307 S\n0.250000 0.131259 0.526693 S\n0.750000 0.368741 0.026693 S\n0.750000 0.978164 0.716074 S\n0.250000 0.021836 0.283926 S\n",
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"formula_full": "Sr4 Y8 S16",
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{
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"created_at": "2022-09-04T14:37:06.643400Z",
"updated_at": "2022-09-04T14:37:06.643421Z",
"structure_string": "Sr2 Y4 S8\n1.0\n7.361283 -0.015446 0.000000\n-2.468324 6.935135 -0.000000\n-2.446479 -3.459843 6.019381\nSr Y S\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Sr\n0.875000 0.125000 0.750000 Sr\n0.128591 0.750001 0.878591 Y\n0.250000 0.628591 0.378591 Y\n0.371409 0.250000 0.621409 Y\n0.750000 0.871409 0.121409 Y\n0.487494 0.983920 0.849718 S\n0.137775 0.134201 0.150282 S\n0.362225 0.512507 0.996426 S\n0.634201 0.637775 0.650281 S\n0.483920 0.987494 0.349718 S\n0.012508 0.862226 0.496426 S\n0.865799 0.516080 0.003574 S\n0.016081 0.365800 0.503574 S\n",
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"elements": [
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"density": 4.257940040774145,
"density_atomic": 0.04559237595669489,
"volume": 307.0688839137853,
"volume_molar": 13.208657442463679,
"formula_full": "Sr2 Y4 S8",
"formula_reduced": "Sr(YS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 122
},
{
"id": "jvasp-53518",
"created_at": "2022-09-04T14:38:11.705645Z",
"updated_at": "2022-09-04T14:38:11.705669Z",
"structure_string": "Sr2 Yb4 S8\n1.0\n6.931538 0.143396 -2.538481\n-3.341585 6.074586 -2.538481\n-0.082789 -0.143396 7.381276\nYb Sr S\n4 2 8\ndirect\n0.125547 0.750000 0.875547 Yb\n0.250001 0.625547 0.375547 Yb\n0.374454 0.250000 0.624454 Yb\n0.750001 0.874454 0.124454 Yb\n0.625001 0.375000 0.250001 Sr\n0.875000 0.125000 0.750001 Sr\n0.032065 0.854533 0.511570 S\n0.020495 0.342963 0.488431 S\n0.145467 0.157037 0.177532 S\n0.354533 0.532065 0.011569 S\n0.657038 0.645468 0.677533 S\n0.467936 0.979506 0.822469 S\n0.479507 0.967936 0.322469 S\n0.842963 0.520495 0.988432 S\n",
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"elements": [
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],
"chemical_system": "S-Sr-Yb",
"density": 6.03304276838542,
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"volume": 309.3485558420034,
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"formula_full": "Sr2 Yb4 S8",
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}
]
}