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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=974",
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"results": [
{
"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,
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"elements": [
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"density": 5.67557159936441,
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"volume": 30.316604899658202,
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"formula_full": "Sr1 O1",
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{
"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,
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"elements": [
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"chemical_system": "Ni-O-Sr",
"density": 4.4833415037288775,
"density_atomic": 0.07793068501240813,
"volume": 166.8149073491416,
"volume_molar": 7.727560407099149,
"formula_full": "Sr1 Ni4 O8",
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{
"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,
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"elements": [
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],
"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-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-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": [
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"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",
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"spacegroup": 139
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{
"id": "jvasp-15359",
"created_at": "2022-09-04T14:36:33.428675Z",
"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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"Ni",
"As"
],
"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-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",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ni-Sn-Sr",
"density": 6.657486619583484,
"density_atomic": 0.039897351169110154,
"volume": 125.32160290057463,
"volume_molar": 15.094086658721695,
"formula_full": "Sr1 Ni1 Sn3",
"formula_reduced": "SrNiSn3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.274440762,
"spacegroup": 107
},
{
"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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"chemical_system": "Ni-O-Sr",
"density": 5.729632803953791,
"density_atomic": 0.08878691560474847,
"volume": 56.31460408263796,
"volume_molar": 6.78268945258633,
"formula_full": "Sr1 Ni1 O3",
"formula_reduced": "SrNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2916638419999995,
"spacegroup": 221
},
{
"id": "jvasp-51144",
"created_at": "2022-09-04T14:36:42.789073Z",
"updated_at": "2022-09-04T14:36:42.789092Z",
"structure_string": "Sr1 Ni1 Ir2\n1.0\n-0.000000 3.271496 3.271496\n3.271496 0.000000 3.271496\n3.271496 3.271496 -0.000000\nSr Ni Ir\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ir-Ni-Sr",
"density": 12.58542240153656,
"density_atomic": 0.05712034406748086,
"volume": 70.02758938697005,
"volume_molar": 10.542900009295394,
"formula_full": "Sr1 Ni1 Ir2",
"formula_reduced": "SrNiIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5821502275,
"spacegroup": 225
},
{
"id": "jvasp-26725",
"created_at": "2022-09-04T14:38:00.249288Z",
"updated_at": "2022-09-04T14:38:00.249308Z",
"structure_string": "Sr1 Ni1 F6\n1.0\n4.629598 -0.007440 -0.748011\n-0.877403 4.545700 -0.748011\n-0.006151 -0.007440 4.689633\nSr Ni F\n1 1 6\ndirect\n0.500001 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ni\n0.720634 0.720633 0.068533 F\n0.720633 0.068532 0.720633 F\n0.279368 0.931468 0.279367 F\n0.279368 0.279367 0.931467 F\n0.931468 0.279367 0.279367 F\n0.068533 0.720633 0.720633 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.383375174104246,
"density_atomic": 0.08112766809982362,
"volume": 98.61000799574803,
"volume_molar": 7.423041856189003,
"formula_full": "Sr1 Ni1 F6",
"formula_reduced": "SrNiF6",
"formula_anonymous": "ABC6",
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"spacegroup": 166
},
{
"id": "jvasp-13279",
"created_at": "2022-09-04T14:38:35.573363Z",
"updated_at": "2022-09-04T14:38:35.573390Z",
"structure_string": "Sr1 Nd5 S8\n1.0\n7.471232 0.000536 -0.000927\n-2.489906 7.044123 0.000927\n-2.491421 -3.521793 6.099926\nSr Nd S\n1 5 8\ndirect\n0.125000 0.750001 0.875001 Sr\n0.246906 0.624232 0.372541 Nd\n0.375000 0.250001 0.625000 Nd\n0.748309 0.875769 0.122675 Nd\n0.627459 0.374365 0.251690 Nd\n0.877325 0.125636 0.753094 Nd\n0.996593 0.853215 0.493724 S\n0.150470 0.154247 0.153520 S\n0.506276 0.002870 0.359490 S\n0.356620 0.497130 0.003406 S\n0.640509 0.646786 0.643380 S\n0.503778 0.003051 0.849531 S\n0.846480 0.496950 0.000727 S\n0.999273 0.345754 0.496222 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Nd",
"S"
],
"chemical_system": "Nd-S-Sr",
"density": 5.5104451636690674,
"density_atomic": 0.043608717334474106,
"volume": 321.03672971212444,
"volume_molar": 13.80948839611777,
"formula_full": "Sr1 Nd5 S8",
"formula_reduced": "SrNd5S8",
"formula_anonymous": "AB5C8",
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"spacegroup": 82
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{
"id": "jvasp-110996",
"created_at": "2022-09-04T14:38:36.166039Z",
"updated_at": "2022-09-04T14:38:36.166078Z",
"structure_string": "Sr1 Nd1 V1 O4\n1.0\n3.704468 0.006470 -5.724499\n-0.317714 3.690824 -5.724499\n-0.005927 -0.006470 6.818573\nSr Nd V O\n1 1 1 4\ndirect\n0.643896 0.643895 0.000000 Sr\n0.359069 0.359068 0.000000 Nd\n0.002097 0.002097 0.000000 V\n0.993290 0.493289 0.500000 O\n0.493290 0.993288 0.499999 O\n0.835549 0.835547 0.000000 O\n0.172813 0.172813 0.000000 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 6.1944050224965865,
"density_atomic": 0.07529533582209433,
"volume": 92.9672458934163,
"volume_molar": 7.998026297709784,
"formula_full": "Sr1 Nd1 V1 O4",
"formula_reduced": "SrNdVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0117508585714288,
"spacegroup": 107
}
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}