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=-id&page=4587",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4585",
"results": [
{
"id": "jvasp-100806",
"created_at": "2022-09-04T14:36:42.266471Z",
"updated_at": "2022-09-04T14:36:42.266501Z",
"structure_string": "Sr4 Br1 N2 Cl1\n1.0\n3.859758 -0.006495 13.999188\n1.889078 3.365881 13.999188\n-0.011114 -0.006495 14.521531\nSr Br N Cl\n4 1 2 1\ndirect\n0.383479 0.383480 0.383478 Sr\n0.887394 0.887395 0.887390 Sr\n0.112607 0.112607 0.112607 Sr\n0.616522 0.616522 0.616519 Sr\n0.500001 0.500001 0.499998 Br\n0.748023 0.748024 0.748020 N\n0.251978 0.251978 0.251977 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Br",
"N",
"Cl"
],
"chemical_system": "Br-Cl-N-Sr",
"density": 4.326607259929073,
"density_atomic": 0.04220782316512852,
"volume": 189.53832252143914,
"volume_molar": 14.267830720479807,
"formula_full": "Sr4 Br1 N2 Cl1",
"formula_reduced": "Sr4BrN2Cl",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9789149890624996,
"spacegroup": 166
},
{
"id": "jvasp-100805",
"created_at": "2022-09-04T14:36:42.073291Z",
"updated_at": "2022-09-04T14:36:42.073316Z",
"structure_string": "Sr1 In3 Hg1\n1.0\n4.546538 0.077872 -5.597709\n-0.512962 4.518179 -5.597709\n-0.068342 -0.077872 7.211150\nSr In Hg\n1 3 1\ndirect\n0.008022 0.008022 0.000000 Sr\n0.747725 0.247725 0.500000 In\n0.247725 0.747725 0.500001 In\n0.389237 0.389237 0.000000 In\n0.607294 0.607293 0.000000 Hg\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"In",
"Hg"
],
"chemical_system": "Hg-In-Sr",
"density": 7.26953526647585,
"density_atomic": 0.03459827384648919,
"volume": 144.51588024838318,
"volume_molar": 17.405899458221345,
"formula_full": "Sr1 In3 Hg1",
"formula_reduced": "SrIn3Hg",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 107
},
{
"id": "jvasp-100804",
"created_at": "2022-09-04T14:36:41.398638Z",
"updated_at": "2022-09-04T14:36:41.398656Z",
"structure_string": "Sr1 La1 Fe2 O6\n1.0\n4.716652 0.011108 2.680308\n1.563833 4.450278 2.679661\n0.014482 0.011094 5.425692\nSr La Fe O\n1 1 2 6\ndirect\n0.249999 0.250000 0.250001 Sr\n0.749998 0.750001 0.750000 La\n0.500106 0.500110 0.500109 Fe\n-0.000111 -0.000107 -0.000108 Fe\n0.727064 0.772935 0.250001 O\n0.773028 0.249874 0.726981 O\n0.250125 0.726970 0.773020 O\n0.218565 0.750100 0.281426 O\n0.749900 0.281435 0.218574 O\n0.281317 0.218682 0.750000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"La",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Sr",
"density": 6.351125956170165,
"density_atomic": 0.08808458991635536,
"volume": 113.52723568896609,
"volume_molar": 6.836769934126494,
"formula_full": "Sr1 La1 Fe2 O6",
"formula_reduced": "SrLa(FeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4655793310000007,
"spacegroup": 155
},
{
"id": "jvasp-100803",
"created_at": "2022-09-04T14:36:41.286402Z",
"updated_at": "2022-09-04T14:36:41.286431Z",
"structure_string": "Sr1 In1 Au5\n1.0\n5.738472 -0.006972 -1.299861\n-3.662957 4.417336 -1.299861\n0.003281 0.006972 5.883850\nSr In Au\n1 1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 In\n0.306561 0.693440 0.000000 Au\n0.693439 0.306561 0.000000 Au\n0.693439 0.693440 0.386878 Au\n0.306561 0.306561 0.613123 Au\n0.250000 0.750001 0.500000 Au\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"In",
"Au"
],
"chemical_system": "Au-In-Sr",
"density": 13.222547335705126,
"density_atomic": 0.04694769448518539,
"volume": 149.10210345278807,
"volume_molar": 12.827340780068168,
"formula_full": "Sr1 In1 Au5",
"formula_reduced": "SrInAu5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.2111661238095238,
"spacegroup": 119
},
{
"id": "jvasp-100802",
"created_at": "2022-09-04T14:37:00.117863Z",
"updated_at": "2022-09-04T14:37:00.117893Z",
"structure_string": "Ta2 Fe1 S4\n1.0\n3.333735 -0.000000 0.000000\n-1.666867 2.887099 0.000000\n-0.000000 -0.000000 11.889075\nTa Fe S\n2 1 4\ndirect\n0.000000 0.000000 0.258252 Ta\n0.000000 0.000000 0.741749 Ta\n0.000000 0.000000 0.500000 Fe\n0.333332 0.666667 0.395449 S\n0.666665 0.333333 0.604551 S\n0.666665 0.333333 0.873322 S\n0.333332 0.666667 0.126678 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ta",
"density": 7.9232165722212216,
"density_atomic": 0.06117263983379632,
"volume": 114.43024232759494,
"volume_molar": 9.844500378538383,
"formula_full": "Ta2 Fe1 S4",
"formula_reduced": "Ta2FeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.849854842857142,
"spacegroup": 164
},
{
"id": "jvasp-100801",
"created_at": "2022-09-04T14:36:40.409569Z",
"updated_at": "2022-09-04T14:36:40.409585Z",
"structure_string": "Ta1 B4 W3\n1.0\n3.114317 0.000000 0.000000\n0.000000 3.227759 0.000000\n0.000000 0.000000 8.564371\nTa B W\n1 4 3\ndirect\n0.000000 0.000000 0.146091 Ta\n0.000000 0.000000 0.440951 B\n-0.000000 0.500000 0.939251 B\n0.500001 0.500000 0.055467 B\n0.500001 0.000000 0.562425 B\n-0.000000 0.500000 0.646363 W\n0.500001 0.500000 0.357744 W\n0.500001 0.000000 0.851710 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"B",
"W"
],
"chemical_system": "B-Ta-W",
"density": 14.96201723742306,
"density_atomic": 0.09292457801568883,
"volume": 86.09132450027728,
"volume_molar": 6.48067592944383,
"formula_full": "Ta1 B4 W3",
"formula_reduced": "TaB4W3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 7.004224941666667,
"spacegroup": 25
},
{
"id": "jvasp-100800",
"created_at": "2022-09-04T14:36:40.171478Z",
"updated_at": "2022-09-04T14:36:40.171500Z",
"structure_string": "Ta1 Ti1 C2\n1.0\n2.994830 0.001282 4.493050\n1.361133 2.667644 4.493050\n0.002093 0.001282 5.399676\nTa Ti C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.499998 0.500002 Ti\n0.751225 0.751224 0.751229 C\n0.248774 0.248773 0.248775 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"C"
],
"chemical_system": "C-Ta-Ti",
"density": 9.74233352525937,
"density_atomic": 0.09281848924569519,
"volume": 43.09486216061759,
"volume_molar": 6.488083149100921,
"formula_full": "Ta1 Ti1 C2",
"formula_reduced": "TaTiC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.434629383333332,
"spacegroup": 166
},
{
"id": "jvasp-10080",
"created_at": "2022-09-04T14:38:09.694829Z",
"updated_at": "2022-09-04T14:38:09.694845Z",
"structure_string": "Ca1 Zr1 Si2 O7\n1.0\n4.692422 0.006965 -0.589257\n-0.861946 5.340992 -1.279337\n0.004756 -0.000672 5.559301\nCa Zr Si O\n1 1 2 7\ndirect\n0.500000 0.292905 0.707095 Ca\n0.499999 0.684897 0.315103 Zr\n0.919068 0.221180 0.206381 Si\n0.080932 0.793619 0.778820 Si\n0.712747 0.412894 0.117753 O\n0.287252 0.882247 0.587106 O\n0.736231 0.036694 0.345316 O\n0.263769 0.654684 0.963306 O\n0.000001 0.060398 0.939602 O\n0.779194 0.623597 0.623710 O\n0.220805 0.376289 0.376404 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Ca",
"Zr",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Zr",
"density": 3.567998021262615,
"density_atomic": 0.07892536703375251,
"volume": 139.37217416164614,
"volume_molar": 7.63017137116971,
"formula_full": "Ca1 Zr1 Si2 O7",
"formula_reduced": "CaZrSi2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.673216056363636,
"spacegroup": 5
},
{
"id": "jvasp-1008",
"created_at": "2022-09-04T14:37:49.573712Z",
"updated_at": "2022-09-04T14:37:49.573733Z",
"structure_string": "Sn2\n1.0\n4.062378 -0.000000 2.345415\n1.354126 3.830046 2.345415\n0.000000 0.000000 4.690830\nSn\n2\ndirect\n0.875001 0.875001 0.874997 Sn\n0.125000 0.125000 0.125000 Sn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 5.401723904034379,
"density_atomic": 0.027402865561446735,
"volume": 72.9850677665555,
"volume_molar": 21.976317573416804,
"formula_full": "Sn2",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy_above_hull": 1.6999999999933737e-06,
"spacegroup": 227
},
{
"id": "jvasp-100799",
"created_at": "2022-09-04T14:36:58.453674Z",
"updated_at": "2022-09-04T14:36:58.453699Z",
"structure_string": "Sr1 Ti1 Mn1 Bi1 O6\n1.0\n4.741553 -0.000000 2.737537\n1.580518 4.470379 2.737537\n-0.000000 -0.000000 5.475074\nSr Ti Mn Bi O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Bi\n-0.003559 0.503559 0.503559 O\n0.503559 -0.003559 -0.003558 O\n-0.003559 0.503559 -0.003559 O\n0.503559 -0.003559 0.503559 O\n0.503559 0.503559 -0.003558 O\n-0.003559 -0.003559 0.503559 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ti",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr-Ti",
"density": 7.088457993894346,
"density_atomic": 0.08616780953920535,
"volume": 116.05261934214676,
"volume_molar": 6.988852092451064,
"formula_full": "Sr1 Ti1 Mn1 Bi1 O6",
"formula_reduced": "SrTiMnBiO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.4970187184712644,
"spacegroup": 216
},
{
"id": "jvasp-100798",
"created_at": "2022-09-04T14:36:58.069378Z",
"updated_at": "2022-09-04T14:36:58.069405Z",
"structure_string": "Tb2 Al1 Cu1\n1.0\n3.461069 0.000000 0.000000\n0.000000 3.461069 0.000000\n-0.000000 -0.000000 7.414115\nTb Al Cu\n2 1 1\ndirect\n0.500000 0.500000 0.264201 Tb\n0.500000 0.500000 0.735798 Tb\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Tb",
"density": 7.635401097407825,
"density_atomic": 0.04503811010221502,
"volume": 88.81367337399168,
"volume_molar": 13.37121106177105,
"formula_full": "Tb2 Al1 Cu1",
"formula_reduced": "Tb2AlCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9411100125,
"spacegroup": 123
},
{
"id": "jvasp-100797",
"created_at": "2022-09-04T14:36:56.658181Z",
"updated_at": "2022-09-04T14:36:56.658209Z",
"structure_string": "Tb3 Sm1 Ni4\n1.0\n3.698574 -0.000000 0.000000\n0.000000 4.253101 0.000000\n-0.000000 -0.000000 10.162497\nTb Sm Ni\n3 1 4\ndirect\n-0.000000 0.500000 0.860553 Tb\n0.000000 0.000000 0.135834 Tb\n0.499999 0.000000 0.640532 Tb\n0.499999 0.500000 0.360910 Sm\n0.499999 0.500000 0.073467 Ni\n-0.000000 0.500000 0.579443 Ni\n0.000000 0.000000 0.425904 Ni\n0.499999 0.000000 0.923358 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"Sm",
"Ni"
],
"chemical_system": "Ni-Sm-Tb",
"density": 8.953037460691437,
"density_atomic": 0.05004371568316394,
"volume": 159.86023201493444,
"volume_molar": 12.03376023900242,
"formula_full": "Tb3 Sm1 Ni4",
"formula_reduced": "Tb3SmNi4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.388385459375,
"spacegroup": 25
}
]
}