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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=894",
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"results": [
{
"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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"formula_full": "Sr1 Nd1 Fe1 O4",
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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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"elements": [
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"formula_full": "Sr1 Nd1 Co1 O4",
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{
"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,
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"elements": [
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"Al",
"O"
],
"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",
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"formula_anonymous": "ABCD4",
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"spacegroup": 107
},
{
"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",
"energy_above_hull": 1.8511909864285712,
"spacegroup": 82
},
{
"id": "jvasp-107987",
"created_at": "2022-09-04T14:36:03.111713Z",
"updated_at": "2022-09-04T14:36:03.111744Z",
"structure_string": "Sr2 Nd6\n1.0\n7.584398 0.000000 0.000000\n-3.792199 6.568281 0.000000\n0.000000 -0.000000 6.004771\nSr Nd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160794 0.321588 0.250000 Nd\n0.678412 0.839206 0.250000 Nd\n0.160793 0.839206 0.250000 Nd\n0.839207 0.678412 0.750000 Nd\n0.321588 0.160793 0.750000 Nd\n0.839207 0.160793 0.750000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"chemical_system": "Nd-Sr",
"density": 5.776995438639949,
"density_atomic": 0.026743651119363155,
"volume": 299.13641799671007,
"volume_molar": 22.51802019522982,
"formula_full": "Sr2 Nd6",
"formula_reduced": "SrNd3",
"formula_anonymous": "AB3",
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"spacegroup": 194
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{
"id": "jvasp-52312",
"created_at": "2022-09-04T14:37:08.306475Z",
"updated_at": "2022-09-04T14:37:08.306495Z",
"structure_string": "Sr2 Nd4 O8\n1.0\n0.000002 7.194142 -0.000000\n3.597070 -3.597072 5.087201\n7.194142 -0.000002 0.000000\nSr Nd O\n2 4 8\ndirect\n0.625000 0.750000 0.125000 Sr\n0.375000 0.250000 0.875000 Sr\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.764448 0.028858 0.264412 O\n0.764413 0.471141 0.264410 O\n0.206729 0.471141 0.264448 O\n0.235590 0.971141 0.293271 O\n0.764410 0.028858 0.706728 O\n0.793271 0.528858 0.735551 O\n0.235587 0.528858 0.735590 O\n0.235551 0.971141 0.735587 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"chemical_system": "Nd-O-Sr",
"density": 5.551305545025316,
"density_atomic": 0.05317299547155645,
"volume": 263.291542555449,
"volume_molar": 11.325562358474597,
"formula_full": "Sr2 Nd4 O8",
"formula_reduced": "SrNd2O4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-118098",
"created_at": "2022-09-04T14:38:50.575115Z",
"updated_at": "2022-09-04T14:38:50.575142Z",
"structure_string": "Sr1 N1 Cl1\n1.0\n4.093384 -0.000000 -0.000000\n0.000000 4.093384 0.000000\n0.000000 0.000000 6.588596\nSr N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.681764 Sr\n0.000000 0.000000 0.014201 N\n0.000000 0.000000 0.263084 Cl\n",
"nsites": 3,
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"elements": [
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"density": 2.0618847623394654,
"density_atomic": 0.027174615075751796,
"volume": 110.39714791312473,
"volume_molar": 22.16090547451258,
"formula_full": "Sr1 N1 Cl1",
"formula_reduced": "SrNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5717612091666662,
"spacegroup": 99
},
{
"id": "jvasp-118096",
"created_at": "2022-09-04T14:38:52.856290Z",
"updated_at": "2022-09-04T14:38:52.856316Z",
"structure_string": "Sr1 N1 Cl1\n1.0\n5.293755 -1.420732 0.000000\n-0.811887 4.589257 0.000000\n0.000000 0.000000 4.821862\nSr N Cl\n1 1 1\ndirect\n0.141002 0.477871 0.000000 Sr\n0.315664 0.064869 0.000000 N\n-0.255967 -0.220537 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Cl-N-Sr",
"density": 2.0399836575131123,
"density_atomic": 0.02688596941317143,
"volume": 111.5823630495652,
"volume_molar": 22.398823220596817,
"formula_full": "Sr1 N1 Cl1",
"formula_reduced": "SrNCl",
"formula_anonymous": "ABC",
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"spacegroup": 38
},
{
"id": "jvasp-15724",
"created_at": "2022-09-04T14:36:55.982119Z",
"updated_at": "2022-09-04T14:36:55.982139Z",
"structure_string": "Sr1 Nb1 O3\n1.0\n4.084495 -0.000000 0.000000\n-0.000000 4.084495 -0.000000\n0.000000 -0.000000 4.084495\nSr Nb O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500001 0.000000 O\n0.000000 0.000000 0.500001 O\n0.500001 0.000000 0.000000 O\n",
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"density": 5.568867830532248,
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"volume": 68.14203610432762,
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"formula_full": "Sr1 Nb1 O3",
"formula_reduced": "SrNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.987599242,
"spacegroup": 221
},
{
"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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"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-49196",
"created_at": "2022-09-04T14:37:18.795275Z",
"updated_at": "2022-09-04T14:37:18.795301Z",
"structure_string": "Sr1 Nb6 O16\n1.0\n3.922420 0.000000 0.000000\n0.000000 8.576791 -3.209449\n0.000000 0.059500 9.157420\nSr Nb O\n1 6 16\ndirect\n0.500000 0.398505 0.601495 Sr\n0.000000 0.627398 0.999894 Nb\n0.000000 0.207842 0.792158 Nb\n0.000000 0.741519 0.621213 Nb\n0.000000 0.378787 0.258481 Nb\n0.000000 0.000105 0.372601 Nb\n0.000000 0.994219 0.005781 Nb\n0.000000 0.188423 0.557154 O\n0.000000 0.236760 0.014207 O\n0.000000 0.985793 0.763240 O\n0.500000 0.625761 0.001653 O\n0.000000 0.509916 0.490084 O\n0.500000 0.707334 0.633589 O\n0.500000 0.224469 0.775531 O\n0.500000 0.003802 0.996198 O\n0.000000 0.442846 0.811577 O\n0.000000 0.145646 0.238320 O\n0.000000 0.761680 0.854354 O\n0.000000 0.830456 0.463253 O\n0.000000 0.536747 0.169544 O\n0.000000 0.857235 0.142764 O\n0.500000 0.366411 0.292666 O\n0.500000 0.998346 0.374238 O\n",
"nsites": 23,
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"elements": [
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"chemical_system": "Nb-O-Sr",
"density": 4.844965086539578,
"density_atomic": 0.07447682182784258,
"volume": 308.82091146646684,
"volume_molar": 8.085926080358963,
"formula_full": "Sr1 Nb6 O16",
"formula_reduced": "SrNb6O16",
"formula_anonymous": "AB6C16",
"energy_above_hull": 3.8063764656521744,
"spacegroup": 38
},
{
"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,
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"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
}
]
}