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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1518",
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"results": [
{
"id": "jvasp-90174",
"created_at": "2022-09-04T14:35:52.747158Z",
"updated_at": "2022-09-04T14:35:52.747182Z",
"structure_string": "Zr2 B1 Ir6\n1.0\n-4.068022 -4.068022 -0.000000\n-4.068022 0.000000 -4.068022\n0.000000 -4.068022 -4.068022\nZr B Ir\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 B\n0.741579 0.258421 0.258421 Ir\n0.741579 0.258421 0.741579 Ir\n0.741579 0.741579 0.258421 Ir\n0.258421 0.741579 0.741579 Ir\n0.258421 0.741579 0.258421 Ir\n0.258421 0.258421 0.741579 Ir\n",
"nsites": 9,
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"volume": 134.64178929418148,
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{
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"updated_at": "2022-09-04T14:35:43.576077Z",
"structure_string": "Zr2 B1 Ir6\n1.0\n0.000000 4.067925 4.067925\n4.067925 0.000000 4.067925\n4.067925 4.067925 -0.000000\nZr B Ir\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Zr\n0.749999 0.749999 0.749999 Zr\n0.000000 0.000000 0.000000 B\n0.258420 0.258420 0.741579 Ir\n0.741579 0.741579 0.258420 Ir\n0.258420 0.741579 0.741579 Ir\n0.741579 0.258420 0.258420 Ir\n0.741579 0.258420 0.741579 Ir\n0.258420 0.741579 0.258420 Ir\n",
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"formula_full": "Zr2 B1 Ir6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-15834",
"created_at": "2022-09-04T14:35:45.459909Z",
"updated_at": "2022-09-04T14:35:45.459933Z",
"structure_string": "Bi2 S4\n1.0\n6.885039 -0.000000 -3.131389\n-1.110333 7.010528 -2.441314\n-1.911732 -1.963318 4.931464\nBi S\n2 4\ndirect\n0.285009 0.736436 0.492192 Bi\n0.042817 0.013565 0.007809 Bi\n0.848894 0.875001 0.250001 S\n0.602775 0.150017 0.773223 S\n0.390958 0.375000 0.250000 S\n0.079551 0.599983 0.726776 S\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Bi-S",
"density": 5.805442882189045,
"density_atomic": 0.038403364598452894,
"volume": 156.23631061330792,
"volume_molar": 15.681284238940371,
"formula_full": "Bi2 S4",
"formula_reduced": "BiS2",
"formula_anonymous": "AB2",
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"spacegroup": 5
},
{
"id": "jvasp-79543",
"created_at": "2022-09-04T14:37:58.612035Z",
"updated_at": "2022-09-04T14:37:58.612053Z",
"structure_string": "Bi2 S2\n1.0\n2.758774 2.816665 -0.568555\n2.758774 -2.816665 -0.568555\n1.328233 0.000000 -7.427874\nBi S\n2 2\ndirect\n0.114295 0.114295 0.771801 Bi\n0.885704 0.885704 0.228197 Bi\n0.644404 0.644404 0.714123 S\n0.355594 0.355594 0.285876 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Bi-S",
"density": 7.200112151925331,
"density_atomic": 0.03597669889710831,
"volume": 111.18307467396644,
"volume_molar": 16.739003145405427,
"formula_full": "Bi2 S2",
"formula_reduced": "BiS",
"formula_anonymous": "AB",
"energy_above_hull": 0.80131715,
"spacegroup": 139
},
{
"id": "jvasp-30460",
"created_at": "2022-09-04T14:38:10.199980Z",
"updated_at": "2022-09-04T14:38:10.200011Z",
"structure_string": "Bi4 S8\n1.0\n-1.236441 3.861332 0.000000\n-6.680704 -0.010608 -4.838275\n-6.569548 0.024985 6.639002\nBi S\n4 8\ndirect\n0.294682 0.301735 0.108899 Bi\n0.396766 0.826172 0.380293 Bi\n0.603232 0.173826 0.619708 Bi\n0.705316 0.698265 0.891102 Bi\n0.345468 0.469740 0.839322 S\n0.786911 0.078354 0.347822 S\n0.923410 0.619688 0.533488 S\n0.213086 0.921645 0.652179 S\n0.036284 0.876408 0.051022 S\n0.076587 0.380311 0.466514 S\n0.654530 0.530258 0.160679 S\n0.963714 0.123591 0.948979 S\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Bi-S",
"density": 6.171604831184127,
"density_atomic": 0.040825548592800624,
"volume": 293.9335884911082,
"volume_molar": 14.750912033211414,
"formula_full": "Bi4 S8",
"formula_reduced": "BiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2681181,
"spacegroup": 12
},
{
"id": "jvasp-101741",
"created_at": "2022-09-04T14:36:45.714714Z",
"updated_at": "2022-09-04T14:36:45.714723Z",
"structure_string": "Bi1 Sb1\n1.0\n3.948648 0.001206 2.577908\n1.396264 3.693544 2.577908\n0.001745 0.001206 4.715658\nBi Sb\n1 1\ndirect\n0.766124 0.766125 0.766125 Bi\n0.233876 0.233876 0.233876 Sb\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Bi-Sb",
"density": 7.98927796472541,
"density_atomic": 0.02909384912817993,
"volume": 68.74305256717736,
"volume_molar": 20.699016941581068,
"formula_full": "Bi1 Sb1",
"formula_reduced": "BiSb",
"formula_anonymous": "AB",
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"spacegroup": 160
},
{
"id": "jvasp-107772",
"created_at": "2022-09-04T14:35:41.645658Z",
"updated_at": "2022-09-04T14:35:41.645679Z",
"structure_string": "Bi3 Sb1\n1.0\n4.376835 0.008656 7.148252\n2.021149 3.882231 7.148252\n0.014234 0.008656 8.381766\nBi Sb\n3 1\ndirect\n0.116871 0.116871 0.116871 Bi\n0.885057 0.885059 0.885056 Bi\n0.380676 0.380677 0.380676 Bi\n0.617395 0.617396 0.617395 Sb\n",
"nsites": 4,
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"elements": [
"Bi",
"Sb"
],
"chemical_system": "Bi-Sb",
"density": 8.771605099318453,
"density_atomic": 0.028221587259368252,
"volume": 141.73547232614234,
"volume_molar": 21.338774125827843,
"formula_full": "Bi3 Sb1",
"formula_reduced": "Bi3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0765222500000002,
"spacegroup": 160
},
{
"id": "jvasp-101468",
"created_at": "2022-09-04T14:38:40.877398Z",
"updated_at": "2022-09-04T14:38:40.877425Z",
"structure_string": "Bi2 Sb2 Te3 Se3\n1.0\n4.202424 -0.023185 19.751461\n2.058244 3.663951 19.751461\n-0.039868 -0.023185 20.193538\nBi Sb Te Se\n2 2 3 3\ndirect\n0.199874 0.199875 0.199875 Bi\n0.695621 0.695625 0.695624 Bi\n0.300649 0.300650 0.300650 Sb\n0.804812 0.804817 0.804816 Sb\n0.392751 0.392753 0.392752 Te\n0.605191 0.605194 0.605193 Te\n0.109154 0.109155 0.109154 Te\n0.997796 0.997802 0.997801 Se\n0.501840 0.501843 0.501843 Se\n0.892292 0.892297 0.892296 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Bi",
"Sb",
"Te",
"Se"
],
"chemical_system": "Bi-Sb-Se-Te",
"density": 6.73705653292777,
"density_atomic": 0.031667767826949786,
"volume": 315.7784929662721,
"volume_molar": 19.016625336235606,
"formula_full": "Bi2 Sb2 Te3 Se3",
"formula_reduced": "Bi2Sb2(TeSe)3",
"formula_anonymous": "A2B2C3D3",
"energy_above_hull": 1.40191742,
"spacegroup": 160
},
{
"id": "jvasp-36486",
"created_at": "2022-09-04T14:37:12.966449Z",
"updated_at": "2022-09-04T14:37:12.966480Z",
"structure_string": "Sr3 Bi1 Sb1\n1.0\n6.117168 0.000000 -0.000000\n-0.000000 6.117168 0.000000\n-0.000000 0.000000 6.117168\nSr Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.306178798964674,
"density_atomic": 0.021843326650432423,
"volume": 228.90286264619942,
"volume_molar": 27.56970518444718,
"formula_full": "Sr3 Bi1 Sb1",
"formula_reduced": "Sr3BiSb",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-36497",
"created_at": "2022-09-04T14:37:28.040413Z",
"updated_at": "2022-09-04T14:37:28.040446Z",
"structure_string": "Sr3 Bi1 Sb1\n1.0\n6.170400 -0.000000 0.000000\n-0.000000 6.170400 -0.000000\n0.000000 0.000000 6.170400\nSr Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 5,
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"elements": [
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"density": 4.195689368309914,
"density_atomic": 0.021282862991609783,
"volume": 234.93079864166398,
"volume_molar": 28.295726765586345,
"formula_full": "Sr3 Bi1 Sb1",
"formula_reduced": "Sr3BiSb",
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"spacegroup": 221
},
{
"id": "jvasp-110280",
"created_at": "2022-09-04T14:38:37.106993Z",
"updated_at": "2022-09-04T14:38:37.107001Z",
"structure_string": "Bi2 Sb2 Te3\n1.0\n4.420726 0.021311 13.577788\n2.172392 3.850193 13.577788\n0.036293 0.021311 14.279280\nBi Sb Te\n2 2 3\ndirect\n0.853592 0.853590 0.853593 Bi\n0.146408 0.146408 0.146409 Bi\n0.712737 0.712735 0.712737 Sb\n0.287264 0.287263 0.287264 Sb\n0.580585 0.580583 0.580585 Te\n0.419416 0.419415 0.419416 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 7,
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],
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"density": 7.229982116504306,
"density_atomic": 0.029185616559303487,
"volume": 239.84417069882366,
"volume_molar": 20.63393366305405,
"formula_full": "Bi2 Sb2 Te3",
"formula_reduced": "Bi2Sb2Te3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.2502163000000002,
"spacegroup": 166
},
{
"id": "jvasp-111827",
"created_at": "2022-09-04T14:38:41.002778Z",
"updated_at": "2022-09-04T14:38:41.002804Z",
"structure_string": "Bi3 Sb3 Te6\n1.0\n4.365031 -0.000000 -0.000000\n-2.182514 3.780227 0.000000\n-0.000000 0.000000 25.532184\nBi Sb Te\n3 3 6\ndirect\n0.333334 0.666668 0.873810 Bi\n0.333334 0.666668 0.125535 Bi\n0.666667 0.333333 0.467975 Bi\n0.000000 -0.000000 0.533063 Sb\n0.333334 0.666668 0.710582 Sb\n0.333334 0.666668 0.288765 Sb\n0.666667 0.333333 0.209976 Te\n0.000000 -0.000000 0.790759 Te\n0.666667 0.333333 0.943457 Te\n0.000000 -0.000000 0.056225 Te\n0.666667 0.333333 0.643996 Te\n0.000000 -0.000000 0.355858 Te\n",
"nsites": 12,
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"elements": [
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],
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"density": 6.928362745257065,
"density_atomic": 0.02848315337375395,
"volume": 421.30166707796843,
"volume_molar": 21.1428161797182,
"formula_full": "Bi3 Sb3 Te6",
"formula_reduced": "BiSbTe2",
"formula_anonymous": "ABC2",
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"spacegroup": 156
}
]
}