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{
"id": "jvasp-92469",
"created_at": "2022-09-04T14:36:12.700765Z",
"updated_at": "2022-09-04T14:36:12.700776Z",
"structure_string": "Sr1 Ni1 O3\n1.0\n5.420507 -0.000519 0.005541\n2.710503 -2.710471 0.002675\n0.004250 -0.000195 -3.833341\nSr Ni O\n1 1 3\ndirect\n0.998460 0.008180 0.504989 Sr\n0.498606 0.006213 0.002944 Ni\n0.498414 0.010029 0.505330 O\n0.498236 0.508703 0.007017 O\n0.998446 0.510052 0.007021 O\n",
"nsites": 5,
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"elements": [
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"volume": 56.31460408263796,
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"formula_full": "Sr1 Ni1 O3",
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{
"id": "jvasp-18757",
"created_at": "2022-09-04T14:36:52.524219Z",
"updated_at": "2022-09-04T14:36:52.524228Z",
"structure_string": "Sr1 Ni1 Sn3\n1.0\n4.450531 0.000000 -1.777559\n-0.709964 4.393538 -1.777559\n-0.014796 -0.017379 6.423202\nSr Ni Sn\n1 1 3\ndirect\n0.999137 0.999137 0.998273 Sr\n0.659638 0.659638 0.319275 Ni\n0.430597 0.430598 0.861196 Sn\n0.749313 0.249314 0.498627 Sn\n0.249314 0.749314 0.498627 Sn\n",
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"elements": [
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"density": 6.657486619583484,
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"volume": 125.32160290057463,
"volume_molar": 15.094086658721695,
"formula_full": "Sr1 Ni1 Sn3",
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{
"id": "jvasp-15359",
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"updated_at": "2022-09-04T14:36:33.428700Z",
"structure_string": "Sr1 Ni2 As2\n1.0\n3.894642 -0.000000 -1.464359\n-0.550588 3.855526 -1.464359\n0.041036 0.047312 6.020459\nSr Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.639797 0.639797 0.279594 As\n0.360203 0.360202 0.720405 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "As-Ni-Sr",
"density": 6.479303369526698,
"density_atomic": 0.05497995904116711,
"volume": 90.9422285356046,
"volume_molar": 10.953338025389993,
"formula_full": "Sr1 Ni2 As2",
"formula_reduced": "Sr(NiAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.171020922,
"spacegroup": 139
},
{
"id": "jvasp-15163",
"created_at": "2022-09-04T14:36:39.952594Z",
"updated_at": "2022-09-04T14:36:39.952614Z",
"structure_string": "Sr1 Ni2 Ge2\n1.0\n3.921470 0.000000 -1.483996\n-0.561587 3.881050 -1.483996\n0.008426 0.009733 5.945519\nSr Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.640535 0.640535 0.281069 Ge\n0.359465 0.359464 0.718930 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Sr",
"density": 6.420097286820043,
"density_atomic": 0.05518724880224635,
"volume": 90.6006388888239,
"volume_molar": 10.912196006688552,
"formula_full": "Sr1 Ni2 Ge2",
"formula_reduced": "Sr(NiGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5518926019999999,
"spacegroup": 139
},
{
"id": "jvasp-40994",
"created_at": "2022-09-04T14:37:33.453104Z",
"updated_at": "2022-09-04T14:37:33.453131Z",
"structure_string": "Sr1 Ni2 P2 H4 O10\n1.0\n-4.481253 -3.011150 -0.006255\n4.481253 -3.011150 0.006255\n-3.037094 0.000000 6.772364\nSr Ni P H O\n1 2 2 4 10\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.499998 Ni\n0.999999 0.500000 0.500000 Ni\n0.586399 0.413601 0.222549 P\n0.413601 0.586399 0.777451 P\n0.255280 0.744720 0.207464 H\n0.073840 0.926160 0.365868 H\n0.926160 0.073840 0.634132 H\n0.744720 0.255280 0.792535 H\n0.299338 0.700661 0.661728 O\n0.814736 0.185263 0.638991 O\n0.185263 0.814737 0.361009 O\n0.700661 0.299339 0.338272 O\n0.703526 0.296474 0.003303 O\n0.265680 0.307247 0.272658 O\n0.296474 0.703526 0.996697 O\n0.307248 0.265680 0.727342 O\n0.692752 0.734320 0.272658 O\n0.734321 0.692753 0.727342 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
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"Ni",
"P",
"H",
"O"
],
"chemical_system": "H-Ni-O-P-Sr",
"density": 3.913203121224911,
"density_atomic": 0.10389142262685175,
"volume": 182.88324020975784,
"volume_molar": 5.796571658884493,
"formula_full": "Sr1 Ni2 P2 H4 O10",
"formula_reduced": "SrNi2P2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.6844530057894733,
"spacegroup": 12
},
{
"id": "jvasp-56348",
"created_at": "2022-09-04T14:37:40.572319Z",
"updated_at": "2022-09-04T14:37:40.572343Z",
"structure_string": "Sr1 Ni2 Sb2\n1.0\n4.169580 0.000000 -1.594587\n-0.609823 4.124745 -1.594587\n0.014294 0.016563 6.286053\nSr Ni Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750001 0.499999 Ni\n0.360099 0.360100 0.720199 Sb\n0.639901 0.639901 0.279800 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-Sr",
"density": 6.875213462032404,
"density_atomic": 0.04615499367898888,
"volume": 108.33063990378463,
"volume_molar": 13.047647242429278,
"formula_full": "Sr1 Ni2 Sb2",
"formula_reduced": "Sr(NiSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.899332662,
"spacegroup": 139
},
{
"id": "jvasp-11705",
"created_at": "2022-09-04T14:38:31.250188Z",
"updated_at": "2022-09-04T14:38:31.250204Z",
"structure_string": "Sr1 Ni4 O8\n1.0\n5.162216 -0.019927 4.347316\n2.010657 4.754591 4.347316\n-0.030190 -0.019927 6.748832\nSr Ni O\n1 4 8\ndirect\n0.500001 0.499999 0.500000 Sr\n0.000000 0.000000 0.000000 Ni\n0.500001 -0.000001 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.773726 0.285794 0.773725 O\n0.226276 0.226275 0.714206 O\n0.226276 0.714205 0.226275 O\n0.714206 0.226275 0.226275 O\n0.278150 0.278149 0.278149 O\n0.721852 0.721850 0.721851 O\n0.773726 0.773724 0.285795 O\n0.285795 0.773724 0.773725 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
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"Ni",
"O"
],
"chemical_system": "Ni-O-Sr",
"density": 4.4833415037288775,
"density_atomic": 0.07793068501240813,
"volume": 166.8149073491416,
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"formula_full": "Sr1 Ni4 O8",
"formula_reduced": "Sr(NiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.063373377692308,
"spacegroup": 166
},
{
"id": "jvasp-36407",
"created_at": "2022-09-04T14:37:17.980993Z",
"updated_at": "2022-09-04T14:37:17.981023Z",
"structure_string": "Sr1 O1\n1.0\n3.118125 -0.000000 -0.000000\n0.000000 3.118125 -0.000000\n-0.000000 -0.000000 3.118125\nSr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 0.500001 0.500001 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "O-Sr",
"density": 5.67557159936441,
"density_atomic": 0.06597044776681273,
"volume": 30.316604899658202,
"volume_molar": 9.128543103552367,
"formula_full": "Sr1 O1",
"formula_reduced": "SrO",
"formula_anonymous": "AB",
"energy_above_hull": 0.1910200000000002,
"spacegroup": 221
},
{
"id": "jvasp-1390",
"created_at": "2022-09-04T14:35:42.788549Z",
"updated_at": "2022-09-04T14:35:42.788584Z",
"structure_string": "Sr1 O1\n1.0\n3.168679 0.000000 1.829438\n1.056226 2.987459 1.829438\n0.000000 0.000000 3.658876\nSr O\n1 1\ndirect\n0.500001 0.500000 0.500001 Sr\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "O-Sr",
"density": 4.967779144459423,
"density_atomic": 0.057743367135624384,
"volume": 34.63601274415661,
"volume_molar": 10.429147205523247,
"formula_full": "Sr1 O1",
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},
{
"id": "jvasp-118315",
"created_at": "2022-09-04T14:38:48.362398Z",
"updated_at": "2022-09-04T14:38:48.362414Z",
"structure_string": "Sr1 O1 F1\n1.0\n4.270570 0.161576 0.000000\n-2.110475 3.710966 0.000000\n0.000000 0.000000 4.666610\nSr O F\n1 1 1\ndirect\n0.662596 0.670461 0.000000 Sr\n0.015841 0.318796 0.000000 O\n0.321563 0.010745 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
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],
"chemical_system": "F-O-Sr",
"density": 2.6951481892135423,
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"volume": 75.54747946296985,
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"formula_full": "Sr1 O1 F1",
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"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-118314",
"created_at": "2022-09-04T14:38:51.164477Z",
"updated_at": "2022-09-04T14:38:51.164504Z",
"structure_string": "Sr1 O1 F2\n1.0\n3.612797 -0.000000 -0.000000\n0.000000 3.612797 -0.000000\n-0.000000 0.000000 4.717046\nSr O F\n1 1 2\ndirect\n0.500001 0.500001 0.502597 Sr\n0.000000 0.000000 0.002395 O\n0.000000 0.000000 0.502402 F\n0.500001 0.500001 0.002607 F\n",
"nsites": 4,
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"elements": [
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],
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"volume": 61.56830970975636,
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"formula_full": "Sr1 O1 F2",
"formula_reduced": "SrOF2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-1417",
"created_at": "2022-09-04T14:36:14.889807Z",
"updated_at": "2022-09-04T14:36:14.889833Z",
"structure_string": "Sr1 O2\n1.0\n3.207983 -0.000000 -1.529126\n-0.728878 3.124082 -1.529126\n0.030164 0.038012 4.192889\nSr O\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.387461 0.387462 0.774925 O\n0.612536 0.612536 0.225072 O\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.685365057631283,
"density_atomic": 0.07076461534171531,
"volume": 42.3940692041255,
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"formula_full": "Sr1 O2",
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}
]
}