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{
"id": "jvasp-108071",
"created_at": "2022-09-04T14:36:00.477832Z",
"updated_at": "2022-09-04T14:36:00.477856Z",
"structure_string": "Sr1 Nd1 Fe1 O4\n1.0\n3.702602 0.112792 -5.881257\n-0.213443 3.698165 -5.881257\n-0.103268 -0.112792 6.948941\nSr Nd Fe O\n1 1 1 4\ndirect\n0.643605 0.643605 0.000000 Sr\n0.357692 0.357692 0.000000 Nd\n0.000552 0.000552 0.000000 Fe\n0.833398 0.833398 0.000000 O\n0.177025 0.177025 0.000000 O\n0.993864 0.493865 0.499999 O\n0.493865 0.993865 0.500001 O\n",
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"density": 6.450209238807632,
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"volume": 90.54267955978531,
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{
"id": "jvasp-106731",
"created_at": "2022-09-04T14:36:49.960322Z",
"updated_at": "2022-09-04T14:36:49.960347Z",
"structure_string": "Sr1 Nd1 Co1 O4\n1.0\n3.619457 -0.014156 -5.645667\n-0.322662 3.605074 -5.645667\n0.012996 0.014156 6.706255\nSr Nd Co O\n1 1 1 4\ndirect\n0.641600 0.641598 -0.000001 Sr\n0.361726 0.361724 -0.000001 Nd\n0.006712 0.006712 -0.000000 Co\n0.839683 0.839680 -0.000002 O\n0.168436 0.168436 -0.000000 O\n0.990924 0.490921 0.499999 O\n0.490924 0.990921 0.499999 O\n",
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"formula_full": "Sr1 Nd1 Co1 O4",
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"spacegroup": 107
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{
"id": "jvasp-55616",
"created_at": "2022-09-04T14:37:14.235690Z",
"updated_at": "2022-09-04T14:37:14.235718Z",
"structure_string": "Sr4 Nd2 Bi2 O12\n1.0\n0.000000 6.003517 0.002078\n6.194033 0.000000 0.000000\n0.000000 -5.963455 -8.594225\nSr Nd Bi O\n4 2 2 12\ndirect\n0.763499 0.050120 0.249451 Sr\n0.236502 0.550120 0.250550 Sr\n0.236503 0.949879 0.750550 Sr\n0.763500 0.449880 0.749451 Sr\n0.500000 0.500000 -0.000000 Nd\n0.500001 0.000000 0.500000 Nd\n0.000001 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.655058 0.044602 0.762466 O\n0.344944 0.544602 0.737534 O\n0.126815 0.786817 0.440060 O\n0.873186 0.286818 0.059940 O\n0.873187 0.213182 0.559940 O\n0.765661 0.692213 0.554193 O\n0.234341 0.307787 0.445807 O\n0.765660 0.807786 0.054193 O\n0.655058 0.455398 0.262466 O\n0.234342 0.192213 0.945807 O\n0.126816 0.713182 0.940060 O\n0.344943 0.955398 0.237534 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Bi-Nd-O-Sr",
"density": 6.490844787847291,
"density_atomic": 0.06259625291089976,
"volume": 319.5079428870644,
"volume_molar": 9.620609030019713,
"formula_full": "Sr4 Nd2 Bi2 O12",
"formula_reduced": "Sr2NdBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.642473942,
"spacegroup": 14
},
{
"id": "jvasp-100343",
"created_at": "2022-09-04T14:36:38.470859Z",
"updated_at": "2022-09-04T14:36:38.470869Z",
"structure_string": "Sr1 Nd1 Al1 O4\n1.0\n3.612935 0.005783 -5.719809\n-0.297677 3.600655 -5.719809\n-0.005316 -0.005783 6.765314\nSr Nd Al O\n1 1 1 4\ndirect\n0.643772 0.643774 -0.000001 Sr\n0.359447 0.359448 -0.000001 Nd\n0.004276 0.004276 -0.000000 Al\n0.838927 0.838929 -0.000001 O\n0.165409 0.165409 -0.000000 O\n0.994080 0.494082 0.499998 O\n0.494080 0.994083 0.499999 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Nd",
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],
"chemical_system": "Al-Nd-O-Sr",
"density": 6.107029714958324,
"density_atomic": 0.07974254743005617,
"volume": 87.78249787091194,
"volume_molar": 7.551979406329029,
"formula_full": "Sr1 Nd1 Al1 O4",
"formula_reduced": "SrNdAlO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5326949442857143,
"spacegroup": 107
},
{
"id": "jvasp-43396",
"created_at": "2022-09-04T14:35:59.772594Z",
"updated_at": "2022-09-04T14:35:59.772630Z",
"structure_string": "Sr2 Nb6 N2 O14\n1.0\n3.842663 0.000458 -0.003605\n-0.001554 8.953756 -0.008552\n-1.912404 -0.085794 10.350643\nSr Nb N O\n2 6 2 14\ndirect\n0.018610 0.748528 0.034919 Sr\n0.982475 0.254113 0.962222 Sr\n0.375851 0.940684 0.748987 Nb\n0.760479 0.752508 0.518360 Nb\n0.367678 0.545345 0.732709 Nb\n0.624877 0.437968 0.247266 Nb\n0.234077 0.230216 0.465614 Nb\n0.623499 0.062167 0.244603 Nb\n0.573012 0.253296 0.143544 N\n0.155217 0.092479 0.307992 N\n0.713689 0.263805 0.424854 O\n0.298522 0.406692 0.594510 O\n0.152591 0.413647 0.302660 O\n0.437995 0.420982 0.873202 O\n0.562097 0.584075 0.121899 O\n0.854377 0.598402 0.706120 O\n0.852656 0.912137 0.702629 O\n0.427509 0.755803 0.852368 O\n0.293512 0.750179 0.584397 O\n0.704434 0.907280 0.406356 O\n0.299245 0.088483 0.595847 O\n0.559509 0.916325 0.116749 O\n0.706428 0.591922 0.410247 O\n0.439552 0.083713 0.876291 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "N-Nb-O-Sr",
"density": 4.592186140948814,
"density_atomic": 0.067403905986433,
"volume": 356.0624514079451,
"volume_molar": 8.934409173872107,
"formula_full": "Sr2 Nb6 N2 O14",
"formula_reduced": "SrNb3NO7",
"formula_anonymous": "ABC3D7",
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"spacegroup": 8
},
{
"id": "jvasp-110540",
"created_at": "2022-09-04T14:38:39.679205Z",
"updated_at": "2022-09-04T14:38:39.679226Z",
"structure_string": "Sr1 Nb1 N1 O2\n1.0\n4.080223 0.000000 -0.000000\n0.000000 4.080223 -0.000000\n-0.000000 -0.000000 4.107939\nSr Nb N O\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"chemical_system": "N-Nb-O-Sr",
"density": 5.500303341331534,
"density_atomic": 0.07311024160405952,
"volume": 68.38987110832322,
"volume_molar": 8.237068607451592,
"formula_full": "Sr1 Nb1 N1 O2",
"formula_reduced": "SrNbNO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.699931192,
"spacegroup": 123
},
{
"id": "jvasp-110541",
"created_at": "2022-09-04T14:38:39.778296Z",
"updated_at": "2022-09-04T14:38:39.778314Z",
"structure_string": "Sr2 Nb1 In1 O6\n1.0\n5.055590 -0.000000 2.918846\n1.685197 4.766456 2.918846\n-0.000000 -0.000000 5.837692\nSr Nb In O\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 In\n0.242136 0.757865 0.757865 O\n0.757865 0.242135 0.242136 O\n0.757865 0.757865 0.242136 O\n0.242135 0.242135 0.757865 O\n0.757865 0.242135 0.757865 O\n0.242136 0.757865 0.242135 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "In-Nb-O-Sr",
"density": 5.653799951410493,
"density_atomic": 0.071087196634433,
"volume": 140.6723077212505,
"volume_molar": 8.471484381314053,
"formula_full": "Sr2 Nb1 In1 O6",
"formula_reduced": "Sr2NbInO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.921076299,
"spacegroup": 225
},
{
"id": "jvasp-106736",
"created_at": "2022-09-04T14:36:50.741737Z",
"updated_at": "2022-09-04T14:36:50.741755Z",
"structure_string": "Sr2 Nb1 Ga1 O6\n1.0\n4.880396 0.000000 2.817698\n1.626799 4.601281 2.817698\n0.000000 0.000000 5.635396\nSr Nb Ga O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.750001 Sr\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.500001 Ga\n0.748812 0.251189 0.251189 O\n0.251190 0.748811 0.748812 O\n0.251189 0.251189 0.748812 O\n0.748812 0.748811 0.251189 O\n0.251190 0.748811 0.251189 O\n0.748812 0.251189 0.748812 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ga-Nb-O-Sr",
"density": 5.693066238463224,
"density_atomic": 0.0790208581462157,
"volume": 126.54886614236165,
"volume_molar": 7.620950849277,
"formula_full": "Sr2 Nb1 Ga1 O6",
"formula_reduced": "Sr2NbGaO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-111881",
"created_at": "2022-09-04T14:38:41.947076Z",
"updated_at": "2022-09-04T14:38:41.947103Z",
"structure_string": "Sr3 Nb1 Co1 O7\n1.0\n3.909865 -0.004686 0.703412\n-0.124722 3.904911 0.719673\n0.109918 0.069515 10.607183\nSr Nb Co O\n3 1 1 7\ndirect\n0.308139 0.308086 0.383838 Sr\n0.678495 0.678530 0.642928 Sr\n0.515588 0.515632 0.968722 Sr\n0.905542 0.905485 0.189039 Nb\n0.100046 0.100081 0.799822 Co\n0.595146 0.095181 0.809624 O\n0.095126 0.595179 0.809624 O\n0.401555 0.901512 0.197000 O\n0.901604 0.401507 0.196998 O\n0.000790 0.000794 -0.001588 O\n0.193605 0.193642 0.612694 O\n0.804376 0.804356 0.391294 O\n",
"nsites": 12,
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"elements": [
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],
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"formula_full": "Sr3 Nb1 Co1 O7",
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"spacegroup": 107
},
{
"id": "jvasp-112644",
"created_at": "2022-09-04T14:38:43.014280Z",
"updated_at": "2022-09-04T14:38:43.014320Z",
"structure_string": "Sr4 Nb2 Co2 O12\n1.0\n5.317774 0.037920 1.533687\n2.404332 4.743303 1.533750\n0.116063 0.071799 9.585489\nSr Nb Co O\n4 2 2 12\ndirect\n0.000008 0.000007 0.000001 Sr\n0.499990 0.499991 0.500000 Sr\n0.250008 0.250008 0.250001 Sr\n0.749991 0.749993 0.749999 Sr\n0.625012 0.625011 0.125001 Nb\n0.124987 0.124988 0.625000 Nb\n0.374999 0.375000 0.875001 Co\n0.874999 0.874999 0.375001 Co\n0.508464 -0.002818 0.497183 O\n0.008485 0.497196 -0.002804 O\n0.252803 0.741515 0.752809 O\n0.752818 0.241533 0.252821 O\n-0.002820 0.508466 0.497180 O\n0.252787 0.252794 0.752843 O\n0.997182 0.997179 0.497174 O\n0.497212 0.497206 0.997157 O\n0.241535 0.752817 0.252818 O\n0.752816 0.752820 0.252827 O\n0.497196 0.008485 -0.002808 O\n0.741514 0.252804 0.752805 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.860550601834684,
"density_atomic": 0.08342014851480922,
"volume": 239.75023248069962,
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"formula_full": "Sr4 Nb2 Co2 O12",
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"formula_anonymous": "ABC2D6",
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},
{
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"created_at": "2022-09-04T14:36:12.885077Z",
"updated_at": "2022-09-04T14:36:12.885104Z",
"structure_string": "Sr4 Mn2 W2 O12\n1.0\n5.669842 0.000000 0.000000\n0.000000 5.681923 -0.007340\n0.000000 -0.000362 7.976228\nSr Mn W O\n4 2 2 12\ndirect\n0.978655 0.996621 0.749525 Sr\n0.478655 0.503378 0.750475 Sr\n0.521344 0.496621 0.249525 Sr\n0.021345 0.003379 0.250475 Sr\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.491126 0.941814 0.241462 O\n0.991126 0.558185 0.258538 O\n0.268214 0.287962 0.469284 O\n0.285945 0.266368 0.030010 O\n0.785945 0.233632 0.469990 O\n0.714055 0.733632 0.969990 O\n0.214055 0.766368 0.530010 O\n0.231786 0.787962 0.969284 O\n0.731786 0.712038 0.530716 O\n0.768214 0.212038 0.030716 O\n0.008873 0.441815 0.741463 O\n0.508873 0.058185 0.758538 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.591704571795548,
"density_atomic": 0.07783342841084916,
"volume": 256.95900088620806,
"volume_molar": 7.737216364428549,
"formula_full": "Sr4 Mn2 W2 O12",
"formula_reduced": "Sr2MnWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.7834210861379307,
"spacegroup": 14
},
{
"id": "jvasp-100544",
"created_at": "2022-09-04T14:38:39.656454Z",
"updated_at": "2022-09-04T14:38:39.656475Z",
"structure_string": "Sr2 Mn1 Sb1 O6\n1.0\n4.814811 -0.031884 -3.075183\n-1.461620 4.587710 -3.075183\n0.023468 0.031884 5.713021\nSr Mn Sb O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500001 Sr\n0.500000 0.500000 0.000001 Mn\n0.000000 0.000000 0.000000 Sb\n0.238568 0.238568 0.000000 O\n0.761432 0.761433 0.000001 O\n0.209386 0.301583 0.510969 O\n0.790615 0.698417 0.489033 O\n0.301583 0.790615 0.092198 O\n0.698417 0.209385 0.907803 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Mn-O-Sb-Sr",
"density": 5.862460132590528,
"density_atomic": 0.07881635476938803,
"volume": 126.87722020714362,
"volume_molar": 7.640724793249353,
"formula_full": "Sr2 Mn1 Sb1 O6",
"formula_reduced": "Sr2MnSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.058349696137931,
"spacegroup": 87
}
]
}