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=1140",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1138",
"results": [
{
"id": "jvasp-115627",
"created_at": "2022-09-04T14:38:47.562765Z",
"updated_at": "2022-09-04T14:38:47.562791Z",
"structure_string": "Be2 C2\n1.0\n3.035380 -0.057797 -0.611428\n-0.030956 -3.093874 0.138953\n0.853786 1.374445 -3.738441\nBe C\n2 2\ndirect\n0.980768 0.044057 0.924286 Be\n0.480544 0.543942 0.924375 Be\n0.330930 0.193639 0.223527 C\n0.130326 0.394278 0.625090 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"C"
],
"chemical_system": "Be-C",
"density": 2.1196304545845073,
"density_atomic": 0.12143637547984051,
"volume": 32.939059521453146,
"volume_molar": 4.959091323505228,
"formula_full": "Be2 C2",
"formula_reduced": "BeC",
"formula_anonymous": "AB",
"energy_above_hull": 2.7108630499999995,
"spacegroup": 139
},
{
"id": "jvasp-104980",
"created_at": "2022-09-04T14:36:58.976934Z",
"updated_at": "2022-09-04T14:36:58.976946Z",
"structure_string": "Hf1 Cr1 Cu1 S4\n1.0\n6.106691 0.025076 2.876719\n5.083413 3.383965 2.876719\n-0.000762 -0.000232 5.926536\nHf Cr Cu S\n1 1 1 4\ndirect\n0.245570 0.245572 0.745369 Hf\n0.756453 0.756458 0.262227 Cr\n0.498422 0.498425 0.480596 Cu\n0.375569 0.375571 0.277831 S\n0.619612 0.619616 0.701714 S\n0.871380 0.871385 0.812987 S\n0.132983 0.132984 0.219279 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Hf",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-Hf-S",
"density": 5.760867264557247,
"density_atomic": 0.05750741608753819,
"volume": 121.72343110225212,
"volume_molar": 10.471937655541776,
"formula_full": "Hf1 Cr1 Cu1 S4",
"formula_reduced": "HfCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.710754407142858,
"spacegroup": 8
},
{
"id": "jvasp-9967",
"created_at": "2022-09-04T14:37:19.736782Z",
"updated_at": "2022-09-04T14:37:19.736802Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n3.012771 0.000000 0.000000\n-1.506386 4.896517 0.000000\n0.000000 -0.000000 9.938201\nCa Cr O\n2 4 8\ndirect\n0.388465 0.776934 0.750000 Ca\n0.611534 0.223067 0.250000 Ca\n0.864247 0.728498 0.069751 Cr\n0.135751 0.271502 0.930249 Cr\n0.864247 0.728498 0.430249 Cr\n0.135751 0.271502 0.569751 Cr\n0.236889 0.473781 0.393327 O\n0.763109 0.526219 0.606673 O\n0.763109 0.526219 0.893327 O\n0.236889 0.473781 0.106673 O\n0.941868 0.883740 0.250000 O\n0.058131 0.116261 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.713275254880536,
"density_atomic": 0.09549197388892974,
"volume": 146.6091801210845,
"volume_molar": 6.3064365671240346,
"formula_full": "Ca2 Cr4 O8",
"formula_reduced": "CaCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.710732745714286,
"spacegroup": 63
},
{
"id": "jvasp-21586",
"created_at": "2022-09-04T14:37:51.863219Z",
"updated_at": "2022-09-04T14:37:51.863230Z",
"structure_string": "Y2 Si6 Ni2\n1.0\n3.891337 0.000000 -0.727509\n0.000000 3.986611 0.000000\n-0.007448 0.000000 10.731009\nY Si Ni\n2 6 2\ndirect\n0.330982 0.500000 0.661965 Y\n0.669018 0.500000 0.338035 Y\n0.443786 0.000000 0.887573 Si\n0.556214 0.000000 0.112427 Si\n0.217583 0.000000 0.435165 Si\n0.782418 0.000000 0.564835 Si\n0.943791 0.500000 0.887580 Si\n0.056210 0.500000 0.112420 Si\n0.109915 0.000000 0.219831 Ni\n0.890085 0.000000 0.780169 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Y",
"density": 4.626047183439866,
"density_atomic": 0.06007767180823376,
"volume": 166.4511905840779,
"volume_molar": 10.023924993669038,
"formula_full": "Y2 Si6 Ni2",
"formula_reduced": "YSi3Ni",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.71050073,
"spacegroup": 65
},
{
"id": "jvasp-64900",
"created_at": "2022-09-04T14:35:53.937849Z",
"updated_at": "2022-09-04T14:35:53.937874Z",
"structure_string": "Be1 P4 Pb1\n1.0\n-0.000000 4.013913 4.013913\n4.013913 0.000000 4.013913\n4.013913 4.013913 -0.000000\nBe P Pb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.350494 0.350494 0.350494 P\n0.350494 0.948517 0.350494 P\n0.350494 0.350494 0.948517 P\n0.948517 0.350494 0.350494 P\n0.749999 0.749999 0.749999 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"P",
"Pb"
],
"chemical_system": "Be-P-Pb",
"density": 4.366476234867,
"density_atomic": 0.04638925409609976,
"volume": 129.34029910397845,
"volume_molar": 12.98175811907767,
"formula_full": "Be1 P4 Pb1",
"formula_reduced": "BeP4Pb",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.71045982,
"spacegroup": 216
},
{
"id": "jvasp-110159",
"created_at": "2022-09-04T14:38:09.921583Z",
"updated_at": "2022-09-04T14:38:09.921613Z",
"structure_string": "Tb2 Al1 Fe3\n1.0\n4.494941 -0.001595 2.561348\n1.487729 4.241599 2.561348\n-0.002250 -0.001595 5.173490\nTb Al Fe\n2 1 3\ndirect\n0.622406 0.622408 0.622406 Tb\n0.377593 0.377595 0.377594 Tb\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000001 0.000000 Fe\n-0.000000 0.000001 0.500000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Tb",
"density": 8.621393578198267,
"density_atomic": 0.060799256995912314,
"volume": 98.68541650769507,
"volume_molar": 9.904957819476124,
"formula_full": "Tb2 Al1 Fe3",
"formula_reduced": "Tb2AlFe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.7104526833333336,
"spacegroup": 166
},
{
"id": "jvasp-108871",
"created_at": "2022-09-04T14:37:57.384416Z",
"updated_at": "2022-09-04T14:37:57.384442Z",
"structure_string": "Co6 Ni2\n1.0\n4.967162 -0.000000 0.000000\n-2.483580 4.301689 0.000000\n-0.000000 -0.000000 4.011864\nCo Ni\n6 2\ndirect\n0.165511 0.331022 0.250000 Co\n0.834489 0.165511 0.749999 Co\n0.331022 0.165511 0.749999 Co\n0.834489 0.668978 0.749999 Co\n0.165511 0.834489 0.250000 Co\n0.668978 0.834489 0.250000 Co\n0.666666 0.333333 0.250000 Ni\n0.333333 0.666667 0.749999 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"Ni"
],
"chemical_system": "Co-Ni",
"density": 9.123543188115818,
"density_atomic": 0.09332466753140836,
"volume": 85.72224484279684,
"volume_molar": 6.452892808831334,
"formula_full": "Co6 Ni2",
"formula_reduced": "Co3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 2.710441275,
"spacegroup": 194
},
{
"id": "jvasp-40680",
"created_at": "2022-09-04T14:38:03.128680Z",
"updated_at": "2022-09-04T14:38:03.128698Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n5.708972 0.026613 -0.007556\n-0.026781 5.708552 -0.004276\n-2.835795 -2.864756 4.042966\nLi Mn Co O\n4 1 3 8\ndirect\n0.499999 0.499999 -0.000001 Li\n0.499999 0.499999 0.499999 Li\n-0.000000 0.500000 -0.000001 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000001 Co\n0.499999 -0.000001 0.500000 Co\n-0.000000 -0.000000 0.500000 Co\n0.759772 0.778595 0.018838 O\n0.759766 0.778583 0.519544 O\n0.740862 0.222576 0.481712 O\n0.259063 0.778595 0.018841 O\n0.740936 0.221403 0.981158 O\n0.259136 0.777422 0.518287 O\n0.240232 0.221415 0.480455 O\n0.240227 0.221403 0.981161 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.890561996781346,
"density_atomic": 0.12160781908972745,
"volume": 131.57048715917284,
"volume_molar": 4.952099959589446,
"formula_full": "Li4 Mn1 Co3 O8",
"formula_reduced": "Li4MnCo3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.710297996336207,
"spacegroup": 166
},
{
"id": "jvasp-79142",
"created_at": "2022-09-04T14:37:18.380648Z",
"updated_at": "2022-09-04T14:37:18.380677Z",
"structure_string": "Mn2 Au1\n1.0\n2.716508 -0.000000 -0.000000\n0.000000 2.716508 0.000000\n-1.358254 -1.358254 5.411083\nMn Au\n2 1\ndirect\n0.692629 0.692629 0.385255 Mn\n0.307373 0.307373 0.614744 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 12.760234707682292,
"density_atomic": 0.07513029298203529,
"volume": 39.93063092030457,
"volume_molar": 8.015596001256082,
"formula_full": "Mn2 Au1",
"formula_reduced": "Mn2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 2.710254017586207,
"spacegroup": 139
},
{
"id": "jvasp-18619",
"created_at": "2022-09-04T14:36:09.331528Z",
"updated_at": "2022-09-04T14:36:09.331555Z",
"structure_string": "Mn2 Au1\n1.0\n2.551623 0.000000 -0.926587\n-0.336477 2.529341 -0.926587\n0.616067 0.703450 5.673131\nMn Au\n2 1\ndirect\n0.692611 0.692612 0.385222 Mn\n0.307388 0.307388 0.614776 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 12.757147548600052,
"density_atomic": 0.07511211626572528,
"volume": 39.94029391192833,
"volume_molar": 8.01753573111345,
"formula_full": "Mn2 Au1",
"formula_reduced": "Mn2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7102440175862066,
"spacegroup": 139
},
{
"id": "jvasp-5785",
"created_at": "2022-09-04T14:38:37.972823Z",
"updated_at": "2022-09-04T14:38:37.972839Z",
"structure_string": "Mn2 Au1\n1.0\n2.551623 0.000000 -0.926587\n-0.336477 2.529341 -0.926587\n0.616067 0.703450 5.673131\nMn Au\n2 1\ndirect\n0.692611 0.692612 0.385222 Mn\n0.307388 0.307388 0.614776 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 12.757147548600052,
"density_atomic": 0.07511211626572528,
"volume": 39.94029391192833,
"volume_molar": 8.01753573111345,
"formula_full": "Mn2 Au1",
"formula_reduced": "Mn2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7102440175862066,
"spacegroup": 139
},
{
"id": "jvasp-75781",
"created_at": "2022-09-04T14:36:04.412688Z",
"updated_at": "2022-09-04T14:36:04.412711Z",
"structure_string": "Mg1 As1 Ir2\n1.0\n0.000000 3.172085 3.172085\n3.172085 -0.000000 3.172085\n3.172085 3.172085 0.000000\nMg As Ir\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Mg\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"As",
"Ir"
],
"chemical_system": "As-Ir-Mg",
"density": 12.581295512808849,
"density_atomic": 0.06266074395762193,
"volume": 63.83582044134744,
"volume_molar": 9.61070740569699,
"formula_full": "Mg1 As1 Ir2",
"formula_reduced": "MgAsIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.71016075,
"spacegroup": 216
}
]
}