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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3371",
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{
"id": "jvasp-99613",
"created_at": "2022-09-04T14:36:21.069891Z",
"updated_at": "2022-09-04T14:36:21.069901Z",
"structure_string": "Sr2 Zn3 Cd1\n1.0\n4.677153 0.043537 3.883742\n2.149693 4.154091 3.883742\n0.006207 0.003816 7.834907\nSr Zn Cd\n2 3 1\ndirect\n0.452803 0.452805 0.795465 Sr\n0.546390 0.546391 0.203109 Sr\n0.175845 0.175845 0.389169 Zn\n0.153380 0.153380 0.788869 Zn\n0.835394 0.835396 0.217643 Zn\n0.836185 0.836187 0.605745 Cd\n",
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{
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"created_at": "2022-09-04T14:38:06.590511Z",
"updated_at": "2022-09-04T14:38:06.590521Z",
"structure_string": "Sr2 Zn2 Cl8\n1.0\n6.020087 -0.000001 -2.482326\n-1.023564 5.932433 -2.482327\n-0.003062 -0.003635 8.533630\nSr Zn Cl\n2 2 8\ndirect\n0.875001 0.625000 0.750000 Sr\n0.125000 0.375000 0.250000 Sr\n0.625001 0.875000 0.250000 Zn\n0.375001 0.125001 0.750000 Zn\n0.716837 0.364858 0.914685 Cl\n0.864858 0.697849 0.414685 Cl\n0.283165 0.635143 0.085315 Cl\n0.450174 0.783165 0.585315 Cl\n0.549828 0.216836 0.414685 Cl\n0.802153 0.950173 0.085315 Cl\n0.135143 0.302152 0.585315 Cl\n0.197849 0.049828 0.914685 Cl\n",
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"spacegroup": 88
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{
"id": "jvasp-120192",
"created_at": "2022-09-04T14:38:45.159648Z",
"updated_at": "2022-09-04T14:38:45.159674Z",
"structure_string": "Sr1 Zn1 F1\n1.0\n4.033651 0.000000 0.000000\n0.000000 4.033651 0.000000\n-0.000000 0.000000 7.523489\nSr Zn F\n1 1 1\ndirect\n0.000000 0.000000 0.270032 Sr\n0.000000 0.000000 0.702056 Zn\n0.000000 0.000000 -0.025989 F\n",
"nsites": 3,
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"elements": [
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"chemical_system": "F-Sr-Zn",
"density": 2.3336235661937477,
"density_atomic": 0.02450785631808308,
"volume": 122.40972694892352,
"volume_molar": 24.572286869319424,
"formula_full": "Sr1 Zn1 F1",
"formula_reduced": "SrZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1165399999999999,
"spacegroup": 99
},
{
"id": "jvasp-118350",
"created_at": "2022-09-04T14:38:49.969251Z",
"updated_at": "2022-09-04T14:38:49.969273Z",
"structure_string": "Sr1 Zn1 F1\n1.0\n5.011884 -0.000000 0.000000\n-2.505942 4.340419 -0.000000\n0.000000 -0.000000 3.683503\nSr Zn F\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Sr\n0.666667 0.333334 0.000000 Zn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
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"elements": [
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"chemical_system": "F-Sr-Zn",
"density": 3.564946663108236,
"density_atomic": 0.0374392862099819,
"volume": 80.12973279389479,
"volume_molar": 16.085084331534084,
"formula_full": "Sr1 Zn1 F1",
"formula_reduced": "SrZnF",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-118349",
"created_at": "2022-09-04T14:38:32.897442Z",
"updated_at": "2022-09-04T14:38:32.897473Z",
"structure_string": "Sr1 Zn1 F2\n1.0\n4.375918 -0.000000 0.000000\n-0.000000 4.375918 0.000000\n-0.000000 0.000000 3.479760\nSr Zn F\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 4,
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"elements": [
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"density": 4.760510169176209,
"density_atomic": 0.060030553731713496,
"volume": 66.63273535467728,
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"formula_full": "Sr1 Zn1 F2",
"formula_reduced": "SrZnF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.01861,
"spacegroup": 123
},
{
"id": "jvasp-21539",
"created_at": "2022-09-04T14:36:37.720407Z",
"updated_at": "2022-09-04T14:36:37.720435Z",
"structure_string": "Sr2 Zn2 F8\n1.0\n5.057605 0.000001 -2.140619\n-0.906013 4.975792 -2.140618\n-0.002590 -0.003105 7.038950\nSr Zn F\n2 2 8\ndirect\n0.375000 0.124999 0.750000 Sr\n0.625000 0.874999 0.249999 Sr\n0.874999 0.624999 0.749999 Zn\n0.125000 0.375000 0.250000 Zn\n0.296006 0.453521 0.079865 F\n0.626343 0.796005 0.579864 F\n0.953521 0.283858 0.579864 F\n0.783858 0.126343 0.079864 F\n0.216142 0.873656 0.920135 F\n0.046478 0.716141 0.420135 F\n0.373657 0.203993 0.420135 F\n0.703993 0.546477 0.920134 F\n",
"nsites": 12,
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"elements": [
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"density": 4.295436306986522,
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"volume": 177.0721149191043,
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"formula_full": "Sr2 Zn2 F8",
"formula_reduced": "SrZnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 88
},
{
"id": "jvasp-58914",
"created_at": "2022-09-04T14:36:53.410574Z",
"updated_at": "2022-09-04T14:36:53.410593Z",
"structure_string": "Sr4 Zn3 F14\n1.0\n6.834331 -0.000000 0.000934\n3.417166 5.918062 0.000467\n-0.001520 -0.000000 7.147279\nSr Zn F\n4 3 14\ndirect\n0.005581 0.000000 0.469486 Sr\n0.338895 0.333333 0.231749 Sr\n0.672229 0.666666 0.231749 Sr\n0.005561 0.000000 0.994016 Sr\n0.464210 0.541350 0.731754 Zn\n0.005560 0.458650 0.731754 Zn\n0.546930 0.000000 0.731748 Zn\n0.765262 0.240249 0.731749 F\n0.005514 0.390268 0.001398 F\n0.395782 0.609732 0.001398 F\n0.245849 0.000000 0.731760 F\n0.738801 0.266744 0.231763 F\n0.005545 0.733256 0.231764 F\n0.005511 0.759751 0.731750 F\n0.615292 0.000000 0.462103 F\n0.672224 0.666645 0.731758 F\n0.338869 0.333355 0.731758 F\n0.005569 0.390222 0.462110 F\n0.395792 0.609778 0.462110 F\n0.272316 0.000000 0.231722 F\n0.615313 0.000000 0.001396 F\n",
"nsites": 21,
"nelements": 3,
"elements": [
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],
"chemical_system": "F-Sr-Zn",
"density": 4.6682583646792395,
"density_atomic": 0.07264454822428328,
"volume": 289.0788161441166,
"volume_molar": 8.289872959781098,
"formula_full": "Sr4 Zn3 F14",
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"formula_anonymous": "A3B4C14",
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"spacegroup": 189
},
{
"id": "jvasp-13427",
"created_at": "2022-09-04T14:37:05.881609Z",
"updated_at": "2022-09-04T14:37:05.881631Z",
"structure_string": "Sr4 Zn3 F14\n1.0\n6.834331 -0.000000 0.000933\n3.417166 5.918015 0.000467\n-0.001520 -0.000000 7.147279\nSr Zn F\n4 3 14\ndirect\n0.005581 0.000000 0.469486 Sr\n0.338895 0.333333 0.231749 Sr\n0.672229 0.666666 0.231749 Sr\n0.005561 0.000000 0.994016 Sr\n0.464210 0.541350 0.731754 Zn\n0.005560 0.458649 0.731754 Zn\n0.546930 0.000000 0.731748 Zn\n0.765262 0.240249 0.731749 F\n0.005514 0.390268 0.001398 F\n0.395782 0.609732 0.001398 F\n0.245849 0.000000 0.731760 F\n0.738801 0.266744 0.231763 F\n0.005545 0.733255 0.231764 F\n0.005511 0.759750 0.731750 F\n0.615292 0.000000 0.462103 F\n0.672225 0.666644 0.731758 F\n0.338869 0.333355 0.731758 F\n0.005569 0.390222 0.462110 F\n0.395792 0.609777 0.462110 F\n0.272316 0.000000 0.231722 F\n0.615313 0.000000 0.001396 F\n",
"nsites": 21,
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"elements": [
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"Zn",
"F"
],
"chemical_system": "F-Sr-Zn",
"density": 4.668295439442117,
"density_atomic": 0.07264512515880346,
"volume": 289.07652033214407,
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"formula_full": "Sr4 Zn3 F14",
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"formula_anonymous": "A3B4C14",
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"spacegroup": 189
},
{
"id": "jvasp-120190",
"created_at": "2022-09-04T14:38:52.359435Z",
"updated_at": "2022-09-04T14:38:52.359449Z",
"structure_string": "Sr1 Zn1 F1\n1.0\n4.166366 -0.112073 0.000000\n0.161750 5.910687 0.000000\n0.000000 0.000000 3.834845\nSr Zn F\n1 1 1\ndirect\n0.420094 -0.011687 0.000000 Sr\n-0.080277 0.422867 0.000000 Zn\n-0.079769 -0.188047 0.000000 F\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.03174376849255408,
"volume": 94.50673762013133,
"volume_molar": 18.97109589056061,
"formula_full": "Sr1 Zn1 F1",
"formula_reduced": "SrZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 25
},
{
"id": "jvasp-120191",
"created_at": "2022-09-04T14:38:53.057385Z",
"updated_at": "2022-09-04T14:38:53.057410Z",
"structure_string": "Sr1 Zn1 F2\n1.0\n3.586813 0.000000 -0.000000\n-0.000000 3.586813 0.000000\n0.000000 0.000000 5.306368\nSr Zn F\n1 1 2\ndirect\n0.499999 0.499999 0.541444 Sr\n0.000000 0.000000 0.965116 Zn\n0.000000 0.000000 0.396348 F\n0.499999 0.499999 0.102120 F\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.646503874148882,
"density_atomic": 0.05859292188634853,
"volume": 68.26763150263639,
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"formula_full": "Sr1 Zn1 F2",
"formula_reduced": "SrZnF2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-110863",
"created_at": "2022-09-04T14:38:38.085059Z",
"updated_at": "2022-09-04T14:38:38.085081Z",
"structure_string": "Sr2 Zn1 Ga1\n1.0\n4.743265 -0.000000 2.738525\n1.581088 4.471993 2.738525\n-0.000000 -0.000000 5.477050\nSr Zn Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Sr\n0.750000 0.749999 0.750002 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500001 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.436152044673783,
"density_atomic": 0.03442982234869062,
"volume": 116.17835141551703,
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"formula_full": "Sr2 Zn1 Ga1",
"formula_reduced": "Sr2ZnGa",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-15791",
"created_at": "2022-09-04T14:36:35.200457Z",
"updated_at": "2022-09-04T14:36:35.200481Z",
"structure_string": "Sr1 Zn2 Ge2\n1.0\n4.142104 -0.000000 -1.577469\n-0.600759 4.098306 -1.577469\n-0.014415 -0.016682 6.189035\nSr Zn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750001 0.500000 Zn\n0.620233 0.620234 0.240466 Ge\n0.379767 0.379767 0.759533 Ge\n",
"nsites": 5,
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],
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"volume": 104.84464012388196,
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"formula_full": "Sr1 Zn2 Ge2",
"formula_reduced": "Sr(ZnGe)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
}
]
}