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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=924",
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{
"id": "jvasp-31210",
"created_at": "2022-09-04T14:37:36.154256Z",
"updated_at": "2022-09-04T14:37:36.154280Z",
"structure_string": "Sr2 Nd4 Se8\n1.0\n7.822247 0.002928 -0.005071\n-2.604656 7.375861 0.005071\n-2.612936 -3.686466 6.385148\nSr Nd Se\n2 4 8\ndirect\n0.124999 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.626843 0.376844 Nd\n0.750000 0.873157 0.123157 Nd\n0.623157 0.373157 0.250000 Nd\n0.876844 0.126843 0.750000 Nd\n0.143968 0.152483 0.144726 Se\n0.356031 0.500758 0.008515 Se\n0.644726 0.652482 0.643969 Se\n0.508515 0.000758 0.856032 Se\n0.507757 0.999242 0.355274 Se\n0.991485 0.847518 0.492243 Se\n0.855274 0.499242 0.007757 Se\n0.992243 0.347518 0.491485 Se\n",
"nsites": 14,
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"elements": [
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"density": 6.23702801642251,
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"volume": 368.4447274804848,
"volume_molar": 15.848757222623712,
"formula_full": "Sr2 Nd4 Se8",
"formula_reduced": "Sr(NdSe2)2",
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{
"id": "jvasp-13351",
"created_at": "2022-09-04T14:36:56.598901Z",
"updated_at": "2022-09-04T14:36:56.598924Z",
"structure_string": "Sr2 Nd4 S8\n1.0\n7.514707 0.002818 -0.004881\n-2.502245 7.085872 0.004881\n-2.510215 -3.541527 6.134106\nSr Nd S\n2 4 8\ndirect\n0.125000 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.627474 0.377474 Nd\n0.622526 0.372526 0.250000 Nd\n0.750001 0.872526 0.122526 Nd\n0.877475 0.127474 0.750001 Nd\n0.990722 0.847265 0.491657 S\n0.509279 0.000935 0.856544 S\n0.143457 0.152735 0.144391 S\n0.356544 0.500935 0.009279 S\n0.644392 0.652735 0.643457 S\n0.508344 0.999065 0.355609 S\n0.855610 0.499065 0.008343 S\n0.991658 0.347265 0.490722 S\n",
"nsites": 14,
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"elements": [
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"Nd",
"S"
],
"chemical_system": "Nd-S-Sr",
"density": 5.127542986181855,
"density_atomic": 0.04285625052241286,
"volume": 326.6734683818948,
"volume_molar": 14.051954351094142,
"formula_full": "Sr2 Nd4 S8",
"formula_reduced": "Sr(NdS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 122
},
{
"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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"O"
],
"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",
"energy_above_hull": 1.531901901428571,
"spacegroup": 227
},
{
"id": "jvasp-117369",
"created_at": "2022-09-04T14:38:27.085549Z",
"updated_at": "2022-09-04T14:38:27.085586Z",
"structure_string": "Sr2 Nd2 Ni2 O8\n1.0\n6.673053 0.046773 0.000000\n-4.533049 4.897274 0.000000\n-0.000000 -0.000000 5.401607\nSr Nd Ni O\n2 2 2 8\ndirect\n0.894273 0.105725 0.250000 Sr\n0.105725 0.894273 0.750000 Sr\n0.383395 0.616603 0.750000 Nd\n0.616603 0.383395 0.250000 Nd\n0.250822 0.749177 0.250000 Ni\n0.749176 0.250822 0.750000 Ni\n0.578503 0.421496 0.750000 O\n0.092016 0.907982 0.250000 O\n0.421496 0.578503 0.250000 O\n0.907982 0.092016 0.750000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Nd-Ni-O-Sr",
"density": 6.627499785128059,
"density_atomic": 0.07879841835971634,
"volume": 177.66854070712085,
"volume_molar": 7.642464005443371,
"formula_full": "Sr2 Nd2 Ni2 O8",
"formula_reduced": "SrNdNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5466677442857146,
"spacegroup": 63
},
{
"id": "jvasp-112348",
"created_at": "2022-09-04T14:38:26.435606Z",
"updated_at": "2022-09-04T14:38:26.435629Z",
"structure_string": "Sr2 Nd1 Sm1 Mn4 O12\n1.0\n5.431010 0.003980 0.046999\n0.050797 5.430774 0.046999\n0.006683 0.006626 7.716175\nSr Nd Sm Mn O\n2 1 1 4 12\ndirect\n0.749736 0.749737 0.999739 Sr\n0.249791 0.249792 0.499846 Sr\n0.753474 0.753474 0.504655 Nd\n0.256769 0.256768 0.005670 Sm\n0.250586 0.750748 0.751274 Mn\n0.750382 0.250044 0.249610 Mn\n0.250044 0.750381 0.249610 Mn\n0.750748 0.250586 0.751274 Mn\n0.473859 0.473859 0.724456 O\n0.974559 0.974558 0.222965 O\n0.034387 0.464147 0.240001 O\n0.534230 0.965771 0.742726 O\n0.209040 0.776159 0.499674 O\n0.965771 0.534230 0.742726 O\n0.776159 0.209040 0.499674 O\n0.276501 0.703459 0.999588 O\n0.039815 0.039816 0.790601 O\n0.464147 0.034387 0.240001 O\n0.703458 0.276501 0.999588 O\n0.536543 0.536543 0.286329 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Nd",
"Sm",
"Mn",
"O"
],
"chemical_system": "Mn-Nd-O-Sm-Sr",
"density": 6.432492531686071,
"density_atomic": 0.08788100631170638,
"volume": 227.58046180151507,
"volume_molar": 6.852607875972634,
"formula_full": "Sr2 Nd1 Sm1 Mn4 O12",
"formula_reduced": "Sr2NdSmMn4O12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.894211198025862,
"spacegroup": 8
},
{
"id": "jvasp-106307",
"created_at": "2022-09-04T14:36:46.867511Z",
"updated_at": "2022-09-04T14:36:46.867529Z",
"structure_string": "Sr2 Nd1 Nb1 O6\n1.0\n5.265230 0.000000 3.039881\n1.755077 4.964106 3.039881\n0.000000 0.000000 6.079764\nSr Nd Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.749999 Sr\n0.500000 0.500000 0.499999 Nd\n0.000000 0.000000 0.000000 Nb\n0.766677 0.233323 0.233322 O\n0.233323 0.766678 0.766676 O\n0.233323 0.766678 0.233322 O\n0.766677 0.233323 0.766676 O\n0.233323 0.233323 0.766677 O\n0.766678 0.766678 0.233322 O\n",
"nsites": 10,
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"elements": [
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"Nd",
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"O"
],
"chemical_system": "Nb-Nd-O-Sr",
"density": 5.312470390801657,
"density_atomic": 0.06292958748252789,
"volume": 158.9077634233095,
"volume_molar": 9.569649191919492,
"formula_full": "Sr2 Nd1 Nb1 O6",
"formula_reduced": "Sr2NdNbO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"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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"O"
],
"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-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,
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"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",
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"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",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
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"created_at": "2022-09-04T14:36:17.692462Z",
"updated_at": "2022-09-04T14:36:17.692487Z",
"structure_string": "Sr2 N1 O6\n1.0\n0.000000 0.000000 -3.627000\n-3.227566 -5.590308 0.000000\n-3.227438 5.590235 0.000000\nSr N O\n2 1 6\ndirect\n0.000000 0.333322 0.666666 Sr\n0.000000 0.666657 0.333334 Sr\n0.000000 -0.000012 -0.000000 N\n0.000000 0.803913 0.000000 O\n0.000000 0.196066 0.196079 O\n0.000000 -0.000013 0.803921 O\n0.500000 0.466355 0.000000 O\n0.500000 0.533627 0.533637 O\n0.500000 0.999990 0.466363 O\n",
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"density_atomic": 0.06876469762354445,
"volume": 130.88111067209107,
"volume_molar": 8.757605236583007,
"formula_full": "Sr2 N1 O6",
"formula_reduced": "Sr2NO6",
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"spacegroup": 189
},
{
"id": "jvasp-116050",
"created_at": "2022-09-04T14:38:40.941441Z",
"updated_at": "2022-09-04T14:38:40.941463Z",
"structure_string": "Sr2 N1 F1\n1.0\n1.885029 1.088322 6.133539\n-1.885029 1.088322 6.133539\n-0.000000 -2.176644 6.133539\nSr N F\n2 1 1\ndirect\n0.758673 0.758673 0.758673 Sr\n0.241327 0.241327 0.241327 Sr\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "F-N-Sr",
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"density_atomic": 0.052981245739208635,
"volume": 75.49841352710607,
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"formula_full": "Sr2 N1 F1",
"formula_reduced": "Sr2NF",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-1972",
"created_at": "2022-09-04T14:35:44.810044Z",
"updated_at": "2022-09-04T14:35:44.810062Z",
"structure_string": "Sr2 N1 Cl1\n1.0\n3.764677 0.011392 6.346890\n1.749431 3.333530 6.346890\n0.018780 0.011392 7.379394\nSr N Cl\n2 1 1\ndirect\n0.769376 0.769375 0.769376 Sr\n0.230624 0.230624 0.230624 Sr\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-N-Sr",
"density": 4.059203682438336,
"density_atomic": 0.04351602776078776,
"volume": 91.92015461494846,
"volume_molar": 13.83890274430458,
"formula_full": "Sr2 N1 Cl1",
"formula_reduced": "Sr2NCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6200249843749998,
"spacegroup": 166
}
]
}