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=-updated_at&page=71",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=69",
"results": [
{
"id": "jvasp-120308",
"created_at": "2022-09-04T14:38:53.659779Z",
"updated_at": "2022-09-04T14:38:53.659806Z",
"structure_string": "Li2 Sb1\n1.0\n4.825078 0.000000 -0.000000\n-2.412539 4.178640 0.000000\n-0.000000 0.000000 3.366645\nLi Sb\n2 1\ndirect\n0.333333 0.666666 0.000000 Li\n0.666667 0.333333 0.000000 Li\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Sb"
],
"chemical_system": "Li-Sb",
"density": 3.3182313527578495,
"density_atomic": 0.04419616996385773,
"volume": 67.8791850618121,
"volume_molar": 13.625933570544058,
"formula_full": "Li2 Sb1",
"formula_reduced": "Li2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7179187000000001,
"spacegroup": 191
},
{
"id": "jvasp-118753",
"created_at": "2022-09-04T14:38:53.657329Z",
"updated_at": "2022-09-04T14:38:53.657355Z",
"structure_string": "N1 Cl2\n1.0\n4.474429 0.000000 0.199838\n0.000000 3.099683 0.000000\n0.213234 0.000000 4.680731\nN Cl\n1 2\ndirect\n0.565106 0.000000 -0.108479 N\n0.190270 0.000000 -0.021542 Cl\n-0.355376 0.000000 0.530021 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 2.176394834841312,
"density_atomic": 0.04630599209286955,
"volume": 64.78643182902363,
"volume_molar": 13.00510039375082,
"formula_full": "N1 Cl2",
"formula_reduced": "NCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8393871283333327,
"spacegroup": 6
},
{
"id": "jvasp-118758",
"created_at": "2022-09-04T14:38:53.654392Z",
"updated_at": "2022-09-04T14:38:53.654409Z",
"structure_string": "Mo1 N1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nMo N O\n1 1 1\ndirect\n-0.111886 -0.112747 0.000000 Mo\n0.337108 -0.020045 0.000000 N\n-0.019834 0.340347 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mo",
"N",
"O"
],
"chemical_system": "Mo-N-O",
"density": 1.0467065508339075,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Mo1 N1 O1",
"formula_reduced": "MoNO",
"formula_anonymous": "ABC",
"energy_above_hull": 5.444444216666666,
"spacegroup": 6
},
{
"id": "jvasp-122013",
"created_at": "2022-09-04T14:38:53.653237Z",
"updated_at": "2022-09-04T14:38:53.653270Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.794660 0.061939 0.995295\n1.486759 4.713398 0.439363\n0.380225 -0.247127 10.252569\nLi Mn Co O\n8 2 4 14\ndirect\n0.074790 0.500022 0.850278 Li\n0.651433 0.500018 0.696885 Li\n0.217229 0.500086 0.565308 Li\n0.781436 0.500059 0.437045 Li\n0.352755 0.499942 0.294649 Li\n0.923719 0.499965 0.152684 Li\n0.498481 0.499961 0.003110 Li\n0.717175 0.000069 0.565517 Li\n-0.001166 0.999976 0.002402 Mn\n0.575291 -0.000028 0.849551 Mn\n0.855650 0.000008 0.288658 Co\n0.427990 -0.000000 0.144032 Co\n0.143770 -0.000006 0.712552 Co\n0.284506 0.000023 0.430869 Co\n0.255792 0.223919 0.001024 O\n0.743316 0.776043 0.000886 O\n0.313108 0.775661 0.860641 O\n0.882829 0.771862 0.724542 O\n0.432210 0.773805 0.572690 O\n0.037421 0.773703 0.419166 O\n0.595957 0.785118 0.284368 O\n0.171244 0.776233 0.140473 O\n0.392804 0.227986 0.724635 O\n0.995022 0.226192 0.572860 O\n0.543184 0.226416 0.419253 O\n0.119528 0.214914 0.284507 O\n0.688233 0.223771 0.140599 O\n0.826310 0.224282 0.860800 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.530267312385017,
"density_atomic": 0.1221978273459614,
"volume": 229.13664349143923,
"volume_molar": 4.928189715640661,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5550131100985225,
"spacegroup": 5
},
{
"id": "jvasp-120299",
"created_at": "2022-09-04T14:38:53.652261Z",
"updated_at": "2022-09-04T14:38:53.652284Z",
"structure_string": "Rb1 Al1 N2\n1.0\n2.947995 0.000000 -0.000000\n0.000000 2.947995 0.000000\n-0.000000 0.000000 6.977287\nRb Al N\n1 1 2\ndirect\n0.500000 0.500000 0.589659 Rb\n0.000000 0.000000 0.069802 Al\n0.000000 0.000000 0.335661 N\n0.500000 0.500000 0.014879 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Al",
"N"
],
"chemical_system": "Al-N-Rb",
"density": 3.84653914513383,
"density_atomic": 0.06596596480954876,
"volume": 60.63733034980167,
"volume_molar": 9.129163466928143,
"formula_full": "Rb1 Al1 N2",
"formula_reduced": "RbAlN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.827252325,
"spacegroup": 99
},
{
"id": "jvasp-118368",
"created_at": "2022-09-04T14:38:53.651893Z",
"updated_at": "2022-09-04T14:38:53.651920Z",
"structure_string": "Mg1 Fe1 S1\n1.0\n2.722559 0.000000 -0.000000\n0.000000 2.722559 0.000000\n-0.000000 -0.000000 7.323444\nMg Fe S\n1 1 1\ndirect\n0.000000 0.000000 0.654856 Mg\n0.000000 0.000000 0.288265 Fe\n0.000000 0.000000 0.014566 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"S"
],
"chemical_system": "Fe-Mg-S",
"density": 3.432654126396731,
"density_atomic": 0.05526514192407358,
"volume": 54.28376541802013,
"volume_molar": 10.89681587767125,
"formula_full": "Mg1 Fe1 S1",
"formula_reduced": "MgFeS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5358515166666666,
"spacegroup": 99
},
{
"id": "jvasp-120731",
"created_at": "2022-09-04T14:38:53.651419Z",
"updated_at": "2022-09-04T14:38:53.651452Z",
"structure_string": "Ba6 Co2 Ir4 O18\n1.0\n5.776696 0.000000 0.000000\n-2.888348 5.002765 0.000000\n-0.000000 -0.000000 14.333421\nBa Co Ir O\n6 2 4 18\ndirect\n0.333334 0.666667 0.086633 Ba\n0.666667 0.333334 0.913367 Ba\n0.666667 0.333334 0.586633 Ba\n0.333334 0.666667 0.413367 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333334 0.666667 0.845004 Ir\n0.666667 0.333334 0.154996 Ir\n0.666667 0.333334 0.345004 Ir\n0.333334 0.666667 0.654996 Ir\n0.666469 0.833235 0.919833 O\n0.833235 0.166766 0.419833 O\n0.333532 0.166766 0.080167 O\n0.166766 0.833235 0.580167 O\n0.166766 0.333532 0.919833 O\n0.333532 0.166766 0.419833 O\n0.833235 0.666469 0.080167 O\n0.666469 0.833235 0.580167 O\n0.974978 0.487488 0.250000 O\n0.166766 0.333532 0.580167 O\n0.487488 0.512513 0.750000 O\n0.512513 0.487488 0.250000 O\n0.025023 0.512513 0.750000 O\n0.833235 0.166766 0.080167 O\n0.487488 0.974978 0.750000 O\n0.512512 0.025023 0.250000 O\n0.833235 0.666469 0.419833 O\n0.166766 0.833235 0.919833 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Co",
"Ir",
"O"
],
"chemical_system": "Ba-Co-Ir-O",
"density": 8.012242874919254,
"density_atomic": 0.07242387895448621,
"volume": 414.22802027564813,
"volume_molar": 8.315131482786958,
"formula_full": "Ba6 Co2 Ir4 O18",
"formula_reduced": "Ba3CoIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.649472167333333,
"spacegroup": 194
},
{
"id": "jvasp-118920",
"created_at": "2022-09-04T14:38:53.650199Z",
"updated_at": "2022-09-04T14:38:53.650225Z",
"structure_string": "Mg2 N1\n1.0\n3.090808 0.000000 0.000000\n0.000000 3.473477 0.000000\n0.000000 0.000000 5.716019\nMg N\n2 1\ndirect\n-0.033330 0.000000 0.773020 Mg\n-0.033330 0.000000 0.226980 Mg\n0.466660 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"N"
],
"chemical_system": "Mg-N",
"density": 1.6943735156558268,
"density_atomic": 0.04888674657793362,
"volume": 61.366325435821345,
"volume_molar": 12.318554989949483,
"formula_full": "Mg2 N1",
"formula_reduced": "Mg2N",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9903937833333328,
"spacegroup": 47
},
{
"id": "jvasp-123479",
"created_at": "2022-09-04T14:38:53.645247Z",
"updated_at": "2022-09-04T14:38:53.645273Z",
"structure_string": "Er1 U3\n1.0\n2.920255 0.000000 0.000000\n0.000000 5.878989 0.000000\n0.000000 0.000000 5.149495\nEr U\n1 3\ndirect\n0.000000 0.109887 0.750001 Er\n0.499999 0.405204 0.250000 U\n0.499999 0.607587 0.750001 U\n0.000000 0.877322 0.250000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"U"
],
"chemical_system": "Er-U",
"density": 16.554167211426734,
"density_atomic": 0.045245138997264886,
"volume": 88.40728725005805,
"volume_molar": 13.310028200740073,
"formula_full": "Er1 U3",
"formula_reduced": "ErU3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.881307,
"spacegroup": 25
},
{
"id": "jvasp-119731",
"created_at": "2022-09-04T14:38:53.644164Z",
"updated_at": "2022-09-04T14:38:53.644193Z",
"structure_string": "Co5 Bi1 O12\n1.0\n5.076849 -0.003524 -0.232428\n-2.551964 4.388837 -0.232428\n-0.445738 -0.774174 8.608013\nCo Bi O\n5 1 12\ndirect\n0.166536 0.833466 0.500000 Co\n0.666668 0.333334 -0.000000 Co\n0.333334 0.666668 -0.000000 Co\n0.833465 0.166536 0.500000 Co\n0.500001 0.500001 0.500000 Co\n0.000000 0.000000 0.000000 Bi\n0.582713 -0.039460 0.880351 O\n0.661618 0.661618 0.119631 O\n0.039462 0.417288 0.119648 O\n0.532859 0.200155 0.601485 O\n0.869182 0.869183 0.606540 O\n0.467143 0.799847 0.398514 O\n0.799847 0.467143 0.398514 O\n0.338383 0.338384 0.880368 O\n-0.039461 0.582713 0.880351 O\n0.417288 0.039462 0.119648 O\n0.200155 0.532859 0.601485 O\n0.130819 0.130819 0.393459 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-O",
"density": 6.083059430425699,
"density_atomic": 0.09478976263438794,
"volume": 189.8939241933489,
"volume_molar": 6.353155227561759,
"formula_full": "Co5 Bi1 O12",
"formula_reduced": "Co5BiO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.177023933333333,
"spacegroup": 12
},
{
"id": "jvasp-120311",
"created_at": "2022-09-04T14:38:53.643350Z",
"updated_at": "2022-09-04T14:38:53.643375Z",
"structure_string": "Li2 Sb1\n1.0\n4.654805 0.000000 -1.196728\n0.000000 3.328424 0.000000\n-1.224291 0.000000 4.610293\nLi Sb\n2 1\ndirect\n-0.199622 0.000000 -0.199621 Li\n0.132945 0.000000 0.466266 Li\n0.466677 0.000000 0.133355 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Sb"
],
"chemical_system": "Li-Sb",
"density": 3.3844337554902206,
"density_atomic": 0.04507793266576936,
"volume": 66.5514104704739,
"volume_molar": 13.359398720991054,
"formula_full": "Li2 Sb1",
"formula_reduced": "Li2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7152720333333334,
"spacegroup": 191
},
{
"id": "jvasp-120296",
"created_at": "2022-09-04T14:38:53.641422Z",
"updated_at": "2022-09-04T14:38:53.641450Z",
"structure_string": "Li1 Zn1 O1\n1.0\n3.829165 -0.000000 -0.000000\n-1.914582 3.316154 0.000000\n0.000000 0.000000 3.318749\nLi Zn O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.000000 Zn\n0.333334 0.666666 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Zn",
"O"
],
"chemical_system": "Li-O-Zn",
"density": 3.4812845526479115,
"density_atomic": 0.07118821047648655,
"volume": 42.14180943614111,
"volume_molar": 8.4594636101846,
"formula_full": "Li1 Zn1 O1",
"formula_reduced": "LiZnO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2689813000000002,
"spacegroup": 187
}
]
}