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{
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"results": [
{
"id": "jvasp-86140",
"created_at": "2022-09-04T14:35:43.658138Z",
"updated_at": "2022-09-04T14:35:43.658167Z",
"structure_string": "Dy2 Fe4 Si2 C2\n1.0\n3.742695 0.000000 0.000000\n-1.871347 5.230214 0.000000\n0.000000 -0.000000 6.725870\nDy Fe Si C\n2 4 2 2\ndirect\n0.949225 0.898454 0.250000 Dy\n0.050773 0.101545 0.750000 Dy\n0.664924 0.329851 0.062073 Fe\n0.335074 0.670148 0.562073 Fe\n0.664924 0.329851 0.437927 Fe\n0.335074 0.670148 0.937927 Fe\n0.229321 0.458644 0.250000 Si\n0.770676 0.541355 0.750000 Si\n0.499999 0.000000 0.000000 C\n0.499999 0.000000 0.500000 C\n",
"nsites": 10,
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"Si",
"C"
],
"chemical_system": "C-Dy-Fe-Si",
"density": 7.927788226206157,
"density_atomic": 0.07595347271083316,
"volume": 131.65954949909369,
"volume_molar": 7.928723394817298,
"formula_full": "Dy2 Fe4 Si2 C2",
"formula_reduced": "DyFe2SiC",
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"spacegroup": 63
},
{
"id": "jvasp-86286",
"created_at": "2022-09-04T14:35:49.144325Z",
"updated_at": "2022-09-04T14:35:49.144344Z",
"structure_string": "Ho2 Si2 Ru4 C2\n1.0\n3.784122 0.000000 -0.000000\n-1.892061 5.584228 -0.000000\n0.000000 -0.000000 7.133756\nHo Si Ru C\n2 2 4 2\ndirect\n0.953220 0.906442 0.250000 Ho\n0.046779 0.093560 0.750000 Ho\n0.231256 0.462511 0.250000 Si\n0.768744 0.537490 0.750000 Si\n0.663509 0.327018 0.444130 Ru\n0.336491 0.672982 0.944130 Ru\n0.336491 0.672982 0.555870 Ru\n0.663509 0.327018 0.055870 Ru\n0.500000 -0.000000 0.500000 C\n0.500000 -0.000000 0.000000 C\n",
"nsites": 10,
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"elements": [
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"Ru",
"C"
],
"chemical_system": "C-Ho-Ru-Si",
"density": 8.970251734708588,
"density_atomic": 0.0663366411090449,
"volume": 150.7462517368326,
"volume_molar": 9.078151470016003,
"formula_full": "Ho2 Si2 Ru4 C2",
"formula_reduced": "HoSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.046251033333334,
"spacegroup": 63
},
{
"id": "jvasp-86040",
"created_at": "2022-09-04T14:35:42.994374Z",
"updated_at": "2022-09-04T14:35:42.994394Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019727 0.000000 0.000000\n0.000000 5.268986 -0.998042\n0.000000 -0.000889 7.567791\nLa C N Cl\n2 2 4 2\ndirect\n0.750001 0.175295 0.737057 La\n0.250000 0.824706 0.262943 La\n0.750001 0.348100 0.358924 C\n0.250000 0.651901 0.641076 C\n0.250000 0.431030 0.659352 N\n0.250000 0.876263 0.618955 N\n0.750001 0.123737 0.381045 N\n0.750001 0.568970 0.340648 N\n0.750001 0.744022 0.956204 Cl\n0.250000 0.255979 0.043797 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-La-N",
"density": 4.4420710071080585,
"density_atomic": 0.06239027939623119,
"volume": 160.28137871432693,
"volume_molar": 9.652370238245446,
"formula_full": "La2 C2 N4 Cl2",
"formula_reduced": "LaCN2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.6241911135,
"spacegroup": 11
},
{
"id": "jvasp-85684",
"created_at": "2022-09-04T14:35:41.713703Z",
"updated_at": "2022-09-04T14:35:41.713736Z",
"structure_string": "Hg2 H4 N2 Cl2\n1.0\n6.841971 0.000000 0.000000\n0.000000 4.404313 0.000000\n0.000000 0.000000 5.095614\nHg H N Cl\n2 4 2 2\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.250000 0.811505 0.362282 H\n0.750000 0.811505 0.637717 H\n0.750000 0.188494 0.637717 H\n0.250000 0.188494 0.362282 H\n0.250000 0.000000 0.240176 N\n0.750000 0.000000 0.759823 N\n0.250000 0.500000 0.715735 Cl\n0.750000 0.500000 0.284264 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Hg",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-Hg-N",
"density": 5.451759796814231,
"density_atomic": 0.06512445074307661,
"volume": 153.55215876524073,
"volume_molar": 9.247127140861476,
"formula_full": "Hg2 H4 N2 Cl2",
"formula_reduced": "HgH2NCl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.8043843835000004,
"spacegroup": 51
},
{
"id": "jvasp-51727",
"created_at": "2022-09-04T14:37:27.130181Z",
"updated_at": "2022-09-04T14:37:27.130212Z",
"structure_string": "Li8 H4 I4 O4\n1.0\n5.527022 -0.000000 0.000000\n0.000000 6.646584 0.000000\n0.000000 0.000000 10.182637\nLi H I O\n8 4 4 4\ndirect\n0.000453 0.562271 0.889543 Li\n0.499546 0.937728 0.389543 Li\n0.500453 0.437729 0.110457 Li\n-0.000453 0.062271 0.610457 Li\n-0.000453 0.437729 0.110457 Li\n0.500453 0.062271 0.610457 Li\n0.499546 0.562271 0.889543 Li\n0.000453 0.937728 0.389543 Li\n0.750000 0.275176 0.946902 H\n0.750000 0.224824 0.446902 H\n0.250000 0.724824 0.053098 H\n0.250000 0.775176 0.553098 H\n0.250000 0.417441 0.671421 I\n0.250000 0.082559 0.171421 I\n0.750000 0.582559 0.328579 I\n0.750000 0.917440 0.828579 I\n0.250000 0.914678 0.521137 O\n0.250000 0.585322 0.021137 O\n0.750000 0.085322 0.478863 O\n0.750000 0.414678 0.978864 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"I",
"O"
],
"chemical_system": "H-I-Li-O",
"density": 2.801877207452289,
"density_atomic": 0.05346628914449958,
"volume": 374.06747915396573,
"volume_molar": 11.263435066017736,
"formula_full": "Li8 H4 I4 O4",
"formula_reduced": "Li2HIO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.9832799549999998,
"spacegroup": 62
},
{
"id": "jvasp-105345",
"created_at": "2022-09-04T14:37:14.274951Z",
"updated_at": "2022-09-04T14:37:14.274985Z",
"structure_string": "Y1 Zn1 Cu1 P2\n1.0\n3.977615 -0.000000 0.000000\n-1.988807 3.444716 0.000000\n-0.000000 -0.000000 6.546022\nY Zn Cu P\n1 1 1 2\ndirect\n0.333333 0.666667 0.984473 Y\n0.000000 0.000000 0.374932 Zn\n0.666666 0.333334 0.643887 Cu\n0.666666 0.333334 0.252078 P\n0.000000 0.000000 0.744629 P\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Y",
"Zn",
"Cu",
"P"
],
"chemical_system": "Cu-P-Y-Zn",
"density": 5.180315106391561,
"density_atomic": 0.05574634224961621,
"volume": 89.69198333428635,
"volume_molar": 10.802754973652931,
"formula_full": "Y1 Zn1 Cu1 P2",
"formula_reduced": "YZnCuP2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.29538946,
"spacegroup": 156
},
{
"id": "jvasp-103358",
"created_at": "2022-09-04T14:37:12.725262Z",
"updated_at": "2022-09-04T14:37:12.725282Z",
"structure_string": "Pb4 Br2 O2 F2\n1.0\n7.084853 0.032862 0.000000\n-4.690223 5.310181 -0.000000\n-0.000000 -0.000000 5.860352\nPb Br O F\n4 2 2 2\ndirect\n0.399671 0.600329 0.221049 Pb\n0.600329 0.399671 0.778950 Pb\n0.100329 0.899671 0.221049 Pb\n0.899670 0.100329 0.778950 Pb\n0.750000 0.250000 0.233882 Br\n0.250000 0.750000 0.766118 Br\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.750000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pb",
"Br",
"O",
"F"
],
"chemical_system": "Br-F-O-Pb",
"density": 7.940411368819362,
"density_atomic": 0.04517108640360234,
"volume": 221.38055105981493,
"volume_molar": 13.331848400085729,
"formula_full": "Pb4 Br2 O2 F2",
"formula_reduced": "Pb2BrOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2427399054999998,
"spacegroup": 67
},
{
"id": "jvasp-12602",
"created_at": "2022-09-04T14:37:27.187104Z",
"updated_at": "2022-09-04T14:37:27.187131Z",
"structure_string": "K4 H2 Br2 O2\n1.0\n0.000000 6.642707 0.013242\n4.242655 0.000000 0.000000\n0.000000 -2.618088 -8.022059\nK H Br O\n4 2 2 2\ndirect\n0.711180 0.750001 0.964843 K\n0.288820 0.250000 0.035157 K\n0.294988 0.250000 0.616769 K\n0.705012 0.750001 0.383231 K\n0.846224 0.250000 0.213393 H\n0.153776 0.750001 0.786608 H\n0.820019 0.250000 0.699397 Br\n0.179981 0.750001 0.300604 Br\n0.691245 0.250000 0.172843 O\n0.308756 0.750001 0.827157 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-K-O",
"density": 2.5739428808704266,
"density_atomic": 0.044260261248457125,
"volume": 225.93630760253572,
"volume_molar": 13.606202471771283,
"formula_full": "K4 H2 Br2 O2",
"formula_reduced": "K2HBrO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.326286721,
"spacegroup": 11
},
{
"id": "jvasp-105407",
"created_at": "2022-09-04T14:37:14.107352Z",
"updated_at": "2022-09-04T14:37:14.107385Z",
"structure_string": "Sm1 Zn1 Cu1 As2\n1.0\n4.164456 0.000000 0.000000\n-2.082228 3.606525 0.000000\n0.000000 0.000000 6.807666\nSm Zn Cu As\n1 1 1 2\ndirect\n0.333333 0.666666 0.983828 Sm\n0.000000 0.000000 0.371912 Zn\n0.666667 0.333333 0.649420 Cu\n0.666667 0.333333 0.254205 As\n0.000000 0.000000 0.740637 As\n",
"nsites": 5,
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"elements": [
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"Cu",
"As"
],
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"density": 6.969811739132657,
"density_atomic": 0.04890176557067103,
"volume": 102.24579709242163,
"volume_molar": 12.314771644179235,
"formula_full": "Sm1 Zn1 Cu1 As2",
"formula_reduced": "SmZnCuAs2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.748456645,
"spacegroup": 156
},
{
"id": "jvasp-23959",
"created_at": "2022-09-04T14:37:44.721086Z",
"updated_at": "2022-09-04T14:37:44.721098Z",
"structure_string": "Rb4 H8 O4 F4\n1.0\n4.169622 -0.000000 0.000000\n-0.000000 7.957642 0.000000\n0.000000 0.000000 8.363844\nRb H O F\n4 8 4 4\ndirect\n0.750000 0.256215 0.046068 Rb\n0.250000 0.743785 0.953932 Rb\n0.750000 0.756215 0.453932 Rb\n0.250000 0.243785 0.546067 Rb\n0.558756 0.468387 0.764490 H\n0.058756 0.531613 0.235509 H\n0.441244 0.031613 0.264491 H\n0.941244 0.968386 0.735509 H\n0.941244 0.468387 0.764490 H\n0.058756 0.031613 0.264491 H\n0.558756 0.968386 0.735509 H\n0.441244 0.531613 0.235509 H\n0.750000 0.506484 0.701629 O\n0.250000 0.493516 0.298371 O\n0.750000 0.006484 0.798371 O\n0.250000 0.993516 0.201629 O\n0.750000 0.601983 0.140152 F\n0.750000 0.101983 0.359848 F\n0.250000 0.898017 0.640151 F\n0.250000 0.398017 0.859848 F\n",
"nsites": 20,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-H-O-Rb",
"density": 2.9315176893373014,
"density_atomic": 0.07206808617304543,
"volume": 277.5153478056464,
"volume_molar": 8.3561824377298,
"formula_full": "Rb4 H8 O4 F4",
"formula_reduced": "RbH2OF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0260047564999997,
"spacegroup": 62
},
{
"id": "jvasp-29391",
"created_at": "2022-09-04T14:38:01.996676Z",
"updated_at": "2022-09-04T14:38:01.996696Z",
"structure_string": "Cu2 Bi2 S2 Cl4\n1.0\n4.059917 0.000000 0.000000\n-2.029959 6.398718 0.000000\n0.000000 0.000000 8.509328\nCu Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.707403 0.414806 0.250000 Bi\n0.292597 0.585194 0.750000 Bi\n0.935219 0.870438 0.750000 S\n0.064781 0.129562 0.250000 S\n0.351317 0.702634 0.064358 Cl\n0.351317 0.702634 0.435642 Cl\n0.648683 0.297367 0.935642 Cl\n0.648683 0.297367 0.564358 Cl\n",
"nsites": 10,
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"elements": [
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"Bi",
"S",
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],
"chemical_system": "Bi-Cl-Cu-S",
"density": 5.641318725779136,
"density_atomic": 0.04523708479793213,
"volume": 221.05756913091622,
"volume_molar": 13.312397973698085,
"formula_full": "Cu2 Bi2 S2 Cl4",
"formula_reduced": "CuBiSCl2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4151285769999999,
"spacegroup": 63
},
{
"id": "jvasp-26375",
"created_at": "2022-09-04T14:37:46.574462Z",
"updated_at": "2022-09-04T14:37:46.574483Z",
"structure_string": "Cd2 Bi2 Cl2 O4\n1.0\n0.000000 6.137731 0.125695\n4.220433 0.000000 0.000000\n0.000000 -1.213145 -7.528638\nCd Bi Cl O\n2 2 2 4\ndirect\n0.343441 0.750000 0.098138 Cd\n0.656559 0.250000 0.901862 Cd\n0.693754 0.250000 0.404216 Bi\n0.306247 0.750000 0.595783 Bi\n0.034380 0.250000 0.806300 Cl\n0.965621 0.750000 0.193700 Cl\n0.487259 0.250000 0.144601 O\n0.512742 0.750000 0.855398 O\n0.548443 0.750000 0.408520 O\n0.451558 0.250000 0.591479 O\n",
"nsites": 10,
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"elements": [
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"Cl",
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],
"chemical_system": "Bi-Cd-Cl-O",
"density": 6.64366678875613,
"density_atomic": 0.05144631123580519,
"volume": 194.37739577021958,
"volume_molar": 11.705680378904908,
"formula_full": "Cd2 Bi2 Cl2 O4",
"formula_reduced": "CdBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.5742130235000003,
"spacegroup": 11
}
]
}