HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3443",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3441",
"results": [
{
"id": "jvasp-11808",
"created_at": "2022-09-04T14:37:50.554672Z",
"updated_at": "2022-09-04T14:37:50.554689Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n5.142466 -0.000000 2.969004\n1.714156 4.848364 2.969004\n0.000000 0.000000 5.938009\nMg Cr O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mg\n0.875002 0.874999 0.874998 Mg\n0.500001 0.500000 -0.000001 Cr\n0.500001 0.500000 0.499999 Cr\n0.000001 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.738465 0.738463 0.738463 O\n0.261537 0.261536 0.715391 O\n0.261537 0.715391 0.261535 O\n0.715393 0.261536 0.261535 O\n0.738465 0.284608 0.738463 O\n0.284609 0.738463 0.738463 O\n0.261537 0.261536 0.261536 O\n0.738465 0.738463 0.284607 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.313592695216294,
"density_atomic": 0.09456284663243206,
"volume": 148.04968863107854,
"volume_molar": 6.368400460075191,
"formula_full": "Mg2 Cr4 O8",
"formula_reduced": "MgCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6502725500000004,
"spacegroup": 227
},
{
"id": "jvasp-10743",
"created_at": "2022-09-04T14:38:02.725533Z",
"updated_at": "2022-09-04T14:38:02.725557Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n5.142326 -0.000000 2.968923\n1.714109 4.848231 2.968923\n-0.000000 -0.000000 5.937846\nMg Cr O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mg\n0.875001 0.875000 0.874999 Mg\n0.500001 0.500000 -0.000001 Cr\n0.500001 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.738467 0.738466 0.738466 O\n0.261534 0.261534 0.715399 O\n0.261534 0.715399 0.261533 O\n0.715400 0.261534 0.261533 O\n0.738467 0.284601 0.738466 O\n0.284601 0.738466 0.738466 O\n0.261534 0.261534 0.261533 O\n0.738467 0.738466 0.284600 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.3139468886236285,
"density_atomic": 0.0945706112822779,
"volume": 148.03753312128094,
"volume_molar": 6.367877587282257,
"formula_full": "Mg2 Cr4 O8",
"formula_reduced": "MgCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.650275407142858,
"spacegroup": 227
},
{
"id": "jvasp-48096",
"created_at": "2022-09-04T14:38:08.583766Z",
"updated_at": "2022-09-04T14:38:08.583796Z",
"structure_string": "V6 O8 F4\n1.0\n0.000000 4.627657 -0.004680\n2.982562 0.000000 0.000000\n0.000000 -0.014125 -13.884263\nV O F\n6 8 4\ndirect\n0.058260 0.000000 0.007620 V\n-0.000009 0.000000 0.333334 V\n0.941752 0.000000 0.659049 V\n0.558249 0.500000 0.159052 V\n0.441744 0.500000 0.507616 V\n0.500011 0.500000 0.833333 V\n0.191935 0.500000 0.399368 O\n0.235550 0.500000 0.067909 O\n0.308075 0.000000 0.899372 O\n0.264448 0.000000 0.567902 O\n0.691941 0.000000 0.767292 O\n0.764448 0.500000 0.598758 O\n0.808047 0.500000 0.267297 O\n0.735557 0.000000 0.098763 O\n0.317132 0.000000 0.231709 F\n0.817159 0.500000 0.934960 F\n0.682844 0.000000 0.434957 F\n0.182868 0.500000 0.731706 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.4160788594538705,
"density_atomic": 0.09392875903682821,
"volume": 191.63459822717812,
"volume_molar": 6.41139180561174,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6502852405555557,
"spacegroup": 58
},
{
"id": "jvasp-109977",
"created_at": "2022-09-04T14:38:10.067374Z",
"updated_at": "2022-09-04T14:38:10.067402Z",
"structure_string": "La1 Y3\n1.0\n5.083992 -0.000000 0.000000\n0.000000 5.083992 0.000000\n-0.000000 -0.000000 5.083992\nLa Y\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Y"
],
"chemical_system": "La-Y",
"density": 5.125746409883894,
"density_atomic": 0.030440053812579748,
"volume": 131.40581237563214,
"volume_molar": 19.783607470205173,
"formula_full": "La1 Y3",
"formula_reduced": "LaY3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6503403375,
"spacegroup": 221
},
{
"id": "jvasp-100459",
"created_at": "2022-09-04T14:37:09.276553Z",
"updated_at": "2022-09-04T14:37:09.276858Z",
"structure_string": "Ba1 Nd1 Mn2 O6\n1.0\n3.905367 0.000000 -0.000000\n0.000000 3.905367 -0.000000\n0.000000 -0.000000 7.802637\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.499999 Ba\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.753789 Mn\n0.500001 0.500001 0.246211 Mn\n0.500001 0.500001 0.000000 O\n0.000000 0.500001 0.773372 O\n0.500001 0.000000 0.773372 O\n0.000000 0.500001 0.226628 O\n0.500001 0.500001 0.499999 O\n0.500001 0.000000 0.226628 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.801527884950886,
"density_atomic": 0.084030102403458,
"volume": 119.00497219420836,
"volume_molar": 7.166646936934089,
"formula_full": "Ba1 Nd1 Mn2 O6",
"formula_reduced": "BaNdMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.650383295275862,
"spacegroup": 123
},
{
"id": "jvasp-12644",
"created_at": "2022-09-04T14:37:19.374648Z",
"updated_at": "2022-09-04T14:37:19.374679Z",
"structure_string": "Ba1 Nd1 Mn2 O6\n1.0\n3.905296 0.000000 -0.000000\n0.000000 3.905296 0.000000\n0.000000 0.000000 7.802721\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.753786 Mn\n0.500000 0.500000 0.246214 Mn\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.773369 O\n0.500000 0.000000 0.773369 O\n0.000000 0.500000 0.226631 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.226631 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.80170197239688,
"density_atomic": 0.08403225318283603,
"volume": 119.00192629896715,
"volume_molar": 7.16646350883526,
"formula_full": "Ba1 Nd1 Mn2 O6",
"formula_reduced": "BaNdMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.650387295275862,
"spacegroup": 123
},
{
"id": "jvasp-97933",
"created_at": "2022-09-04T14:36:04.528356Z",
"updated_at": "2022-09-04T14:36:04.528384Z",
"structure_string": "Mg4 H24 Br8 N8\n1.0\n5.904854 0.000000 0.000000\n0.000000 11.815269 0.000000\n-0.000000 0.000000 7.944611\nMg H Br N\n4 24 8 8\ndirect\n0.497778 0.499913 0.250000 Mg\n0.997778 0.000087 0.250000 Mg\n0.502221 0.500087 0.750000 Mg\n0.002221 -0.000087 0.750000 Mg\n0.759747 0.816541 0.147682 H\n0.259747 0.683459 0.352318 H\n0.240252 0.183459 0.647682 H\n0.740252 0.316541 0.852318 H\n0.240252 0.183459 0.852318 H\n0.740252 0.316541 0.647682 H\n0.259747 0.683459 0.147682 H\n0.417116 0.101661 0.750000 H\n0.917115 0.398339 0.750000 H\n0.582884 0.898339 0.250000 H\n0.082884 0.601661 0.250000 H\n0.759747 0.816541 0.352318 H\n0.868646 0.384232 0.352422 H\n0.631353 0.884232 0.647578 H\n0.131354 0.615768 0.852422 H\n0.631353 0.884232 0.852422 H\n0.131354 0.615768 0.647578 H\n0.368646 0.115768 0.352422 H\n0.868646 0.384232 0.147578 H\n0.792160 0.794331 0.750000 H\n0.292160 0.705669 0.750000 H\n0.207839 0.205669 0.250000 H\n0.707839 0.294331 0.250000 H\n0.368646 0.115768 0.147578 H\n0.275358 0.385415 0.001853 Br\n0.775357 0.114585 0.498146 Br\n0.724642 0.614585 0.501853 Br\n0.224642 0.885415 0.998146 Br\n0.275358 0.385415 0.498146 Br\n0.224642 0.885415 0.501853 Br\n0.775357 0.114585 0.001853 Br\n0.724642 0.614585 0.998146 Br\n0.753300 0.369409 0.750000 N\n0.763293 0.376591 0.250000 N\n0.263293 0.123409 0.250000 N\n0.236706 0.623409 0.750000 N\n0.736706 0.876591 0.750000 N\n0.246699 0.630591 0.250000 N\n0.746699 0.869409 0.250000 N\n0.253300 0.130591 0.750000 N\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Mg",
"H",
"Br",
"N"
],
"chemical_system": "Br-H-Mg-N",
"density": 2.614488569909031,
"density_atomic": 0.07938295503777074,
"volume": 554.2751586793994,
"volume_molar": 7.586188693951543,
"formula_full": "Mg4 H24 Br8 N8",
"formula_reduced": "MgH6(BrN)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.650500341818182,
"spacegroup": 62
},
{
"id": "jvasp-24990",
"created_at": "2022-09-04T14:37:43.024220Z",
"updated_at": "2022-09-04T14:37:43.024247Z",
"structure_string": "Sr2 Li2 B6 S12\n1.0\n7.142332 0.039644 3.081928\n1.868619 7.309193 4.278039\n0.012839 0.000381 8.672802\nSr Li B S\n2 2 6 12\ndirect\n0.974407 0.137810 0.380924 Sr\n0.474407 0.380923 0.137811 Sr\n0.936572 0.489188 0.705990 Li\n0.436572 0.705989 0.489189 Li\n0.943400 0.014105 0.026579 B\n0.041942 0.758489 0.839157 B\n0.541942 0.839156 0.758489 B\n0.023163 0.604587 0.248433 B\n0.443400 0.026578 0.014106 B\n0.523163 0.248433 0.604587 B\n0.436439 0.253671 0.829846 S\n0.936439 0.829845 0.253673 S\n0.076276 0.731811 0.637709 S\n0.087594 0.403698 0.441286 S\n0.563478 0.052639 0.555141 S\n0.587594 0.441286 0.403698 S\n0.063478 0.555141 0.052640 S\n0.576276 0.637709 0.731811 S\n0.992843 0.992310 0.813490 S\n0.492843 0.813489 0.992311 S\n0.405377 0.017022 0.236252 S\n0.905377 0.236252 0.017023 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Li",
"B",
"S"
],
"chemical_system": "B-Li-S-Sr",
"density": 2.347604621830689,
"density_atomic": 0.04869175047909192,
"volume": 451.8219161056189,
"volume_molar": 12.36788716927704,
"formula_full": "Sr2 Li2 B6 S12",
"formula_reduced": "SrLi(BS2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 2.650552187272728,
"spacegroup": 9
},
{
"id": "jvasp-70821",
"created_at": "2022-09-04T14:35:51.091410Z",
"updated_at": "2022-09-04T14:35:51.091455Z",
"structure_string": "Ca1 Be2 Re1\n1.0\n3.338022 -3.065491 0.000000\n3.338022 3.065491 0.000000\n0.000000 0.000000 2.694986\nCa Be Re\n1 2 1\ndirect\n0.500000 -0.000000 0.500001 Ca\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n-0.000000 0.500000 0.500001 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Re"
],
"chemical_system": "Be-Ca-Re",
"density": 7.355521367032073,
"density_atomic": 0.07252441629828402,
"volume": 55.15383927460362,
"volume_molar": 8.303604589151984,
"formula_full": "Ca1 Be2 Re1",
"formula_reduced": "CaBe2Re",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.650612655,
"spacegroup": 65
},
{
"id": "jvasp-43107",
"created_at": "2022-09-04T14:36:03.617769Z",
"updated_at": "2022-09-04T14:36:03.617785Z",
"structure_string": "Li2 Fe3 Sn1 O8\n1.0\n6.010884 0.177766 0.125700\n3.159392 5.116695 0.125700\n3.159392 1.824075 4.782166\nLi Fe Sn O\n2 3 1 8\ndirect\n0.120384 0.120384 0.120384 Li\n0.879614 0.879616 0.879617 Li\n-0.000001 0.500000 0.500000 Fe\n0.499999 0.000001 0.500000 Fe\n0.499999 0.500000 0.000000 Fe\n0.499999 0.500000 0.500001 Sn\n0.266232 0.266233 0.266233 O\n0.250526 0.250528 0.717814 O\n0.250527 0.717813 0.250528 O\n0.717812 0.250528 0.250528 O\n0.282186 0.749473 0.749473 O\n0.749471 0.282188 0.749473 O\n0.749471 0.749473 0.282187 O\n0.733766 0.733768 0.733768 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-O-Sn",
"density": 5.01425289932606,
"density_atomic": 0.09874552519579896,
"volume": 141.7785765202008,
"volume_molar": 6.0986467468362875,
"formula_full": "Li2 Fe3 Sn1 O8",
"formula_reduced": "Li2Fe3SnO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.650687585714286,
"spacegroup": 166
},
{
"id": "jvasp-116814",
"created_at": "2022-09-04T14:38:43.440018Z",
"updated_at": "2022-09-04T14:38:43.440047Z",
"structure_string": "V6 O8 F4\n1.0\n4.615767 0.007535 0.102044\n0.120000 5.477932 0.443668\n0.000033 0.136787 7.554596\nV O F\n6 8 4\ndirect\n0.509171 0.833333 0.658211 V\n0.476089 0.510883 0.991702 V\n0.509998 0.178189 0.361579 V\n0.001456 0.344748 0.672502 V\n0.968639 0.643905 0.311208 V\n0.025596 0.992949 0.999842 V\n0.192427 0.296593 0.904175 O\n0.297664 0.799697 0.892999 O\n0.303104 0.455843 0.234915 O\n0.299266 0.139343 0.573895 O\n0.698773 0.537239 0.765307 O\n0.794809 0.697218 0.095589 O\n0.801609 0.370044 0.436027 O\n0.709317 0.866876 0.429662 O\n0.212369 0.961619 0.236469 F\n0.797121 0.037045 0.771187 F\n0.699036 0.194703 0.106446 F\n0.203554 0.639771 0.558288 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.436986558198413,
"density_atomic": 0.09437345992643904,
"volume": 190.7315893051966,
"volume_molar": 6.381180434302247,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.650704129444444,
"spacegroup": 1
},
{
"id": "jvasp-74149",
"created_at": "2022-09-04T14:35:55.092826Z",
"updated_at": "2022-09-04T14:35:55.092846Z",
"structure_string": "Mn2 Be1 Cl1\n1.0\n2.759963 0.000000 0.000000\n0.000000 2.759963 0.000000\n0.000000 0.000000 7.169204\nMn Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.044257 Mn\n0.500000 0.500000 0.235889 Mn\n0.000000 0.000000 0.399763 Be\n0.500000 0.500000 0.820090 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Mn",
"density": 4.6930341477721935,
"density_atomic": 0.07324576731267984,
"volume": 54.610664161989675,
"volume_molar": 8.22182766451473,
"formula_full": "Mn2 Be1 Cl1",
"formula_reduced": "Mn2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.650763662564655,
"spacegroup": 99
}
]
}