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=227",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=225",
"results": [
{
"id": "jvasp-103626",
"created_at": "2022-09-04T14:37:13.798500Z",
"updated_at": "2022-09-04T14:37:13.798529Z",
"structure_string": "Pu1 As3\n1.0\n4.249113 -0.000000 0.000000\n0.000000 4.249113 0.000000\n-0.000000 -0.000000 4.249113\nPu As\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n-0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.500000 As\n0.500000 0.500000 -0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"As"
],
"chemical_system": "As-Pu",
"density": 10.146336180366264,
"density_atomic": 0.05213929433060005,
"volume": 76.71757071810691,
"volume_molar": 11.550100240742355,
"formula_full": "Pu1 As3",
"formula_reduced": "PuAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6964413125,
"spacegroup": 221
},
{
"id": "jvasp-103628",
"created_at": "2022-09-04T14:36:44.755466Z",
"updated_at": "2022-09-04T14:36:44.755481Z",
"structure_string": "Sr1 Sn3\n1.0\n4.870944 -0.000000 0.000000\n0.000000 4.870944 0.000000\n-0.000000 -0.000000 4.870944\nSr Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Sn"
],
"chemical_system": "Sn-Sr",
"density": 6.375996260046177,
"density_atomic": 0.03461151276755009,
"volume": 115.56848228113817,
"volume_molar": 17.3992416929145,
"formula_full": "Sr1 Sn3",
"formula_reduced": "SrSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.26880585,
"spacegroup": 221
},
{
"id": "jvasp-103630",
"created_at": "2022-09-04T14:36:46.160475Z",
"updated_at": "2022-09-04T14:36:46.160499Z",
"structure_string": "Pu1 Ti1 O3\n1.0\n3.912871 -0.000000 0.000000\n0.000000 3.912871 0.000000\n-0.000000 0.000000 3.912871\nPu Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"Ti",
"O"
],
"chemical_system": "O-Pu-Ti",
"density": 9.420396980641335,
"density_atomic": 0.08346096724834745,
"volume": 59.90824411514355,
"volume_molar": 7.215517574916722,
"formula_full": "Pu1 Ti1 O3",
"formula_reduced": "PuTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.406775766666667,
"spacegroup": 221
},
{
"id": "jvasp-103633",
"created_at": "2022-09-04T14:36:47.319009Z",
"updated_at": "2022-09-04T14:36:47.319027Z",
"structure_string": "Th1 Cd1 Cu2\n1.0\n4.169320 -0.000000 2.407158\n1.389773 3.930872 2.407158\n-0.000000 -0.000000 4.814316\nTh Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500001 Cd\n0.750000 0.750000 0.750002 Cu\n0.250000 0.250000 0.250001 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Th",
"density": 9.923843088127972,
"density_atomic": 0.05069571670175443,
"volume": 78.90212941523662,
"volume_molar": 11.878993240057286,
"formula_full": "Th1 Cd1 Cu2",
"formula_reduced": "ThCdCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1014865625,
"spacegroup": 225
},
{
"id": "jvasp-103634",
"created_at": "2022-09-04T14:36:46.498245Z",
"updated_at": "2022-09-04T14:36:46.498270Z",
"structure_string": "Ti1 Ge1 Rh2\n1.0\n3.765638 -0.000000 2.174092\n1.255213 3.550278 2.174092\n-0.000000 -0.000000 4.348184\nTi Ge Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.499999 Ge\n0.250000 0.250000 0.249999 Rh\n0.750000 0.750000 0.749998 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Ti",
"density": 9.321403013031723,
"density_atomic": 0.06880993514861472,
"volume": 58.131140384900185,
"volume_molar": 8.751847748429737,
"formula_full": "Ti1 Ge1 Rh2",
"formula_reduced": "TiGeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.438942570833333,
"spacegroup": 225
},
{
"id": "jvasp-103636",
"created_at": "2022-09-04T14:36:48.729844Z",
"updated_at": "2022-09-04T14:36:48.729863Z",
"structure_string": "Tl3 Cd1\n1.0\n4.430877 -0.016603 -4.068773\n-0.866428 4.345371 -4.068773\n0.013671 0.016603 6.015596\nTl Cd\n3 1\ndirect\n0.750000 0.250000 0.500001 Tl\n0.250000 0.750000 0.500000 Tl\n0.500000 0.500000 0.000001 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Cd"
],
"chemical_system": "Cd-Tl",
"density": 10.35630647743992,
"density_atomic": 0.03438285353160333,
"volume": 116.33705725801268,
"volume_molar": 17.514953360298296,
"formula_full": "Tl3 Cd1",
"formula_reduced": "Tl3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-103637",
"created_at": "2022-09-04T14:36:49.702224Z",
"updated_at": "2022-09-04T14:36:49.702244Z",
"structure_string": "Tm1 Ga1 Cu2\n1.0\n3.891424 -0.000000 2.246715\n1.297141 3.668870 2.246715\n-0.000000 -0.000000 4.493430\nTm Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.500000 0.499999 Ga\n0.749999 0.750000 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Tm",
"density": 9.467027465757377,
"density_atomic": 0.06235067137646483,
"volume": 64.15327873293532,
"volume_molar": 9.658501868631275,
"formula_full": "Tm1 Ga1 Cu2",
"formula_reduced": "TmGaCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103638",
"created_at": "2022-09-04T14:36:50.636279Z",
"updated_at": "2022-09-04T14:36:50.636291Z",
"structure_string": "Tm6 Sc2\n1.0\n6.931173 0.000000 0.000000\n-3.465587 6.002572 0.000000\n-0.000000 -0.000000 5.389999\nTm Sc\n6 2\ndirect\n0.168791 0.831208 0.250000 Tm\n0.662414 0.831208 0.250000 Tm\n0.168792 0.337585 0.250000 Tm\n0.831208 0.168792 0.750000 Tm\n0.337585 0.168792 0.750000 Tm\n0.831207 0.662415 0.750000 Tm\n0.333333 0.666666 0.750000 Sc\n0.666666 0.333333 0.250000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Sc"
],
"chemical_system": "Sc-Tm",
"density": 8.17137905337992,
"density_atomic": 0.03567444172329647,
"volume": 224.2501806209279,
"volume_molar": 16.88082691443315,
"formula_full": "Tm6 Sc2",
"formula_reduced": "Tm3Sc",
"formula_anonymous": "AB3",
"energy_above_hull": 1.661532,
"spacegroup": 194
},
{
"id": "jvasp-10364",
"created_at": "2022-09-04T14:37:19.406635Z",
"updated_at": "2022-09-04T14:37:19.406662Z",
"structure_string": "Mg1 Bi4 O8\n1.0\n5.468383 -0.643389 2.989421\n1.473957 5.305150 2.989421\n-0.958140 -0.643389 6.158070\nMg Bi O\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Mg\n0.500001 0.999999 0.500001 Bi\n0.999999 0.500000 0.500001 Bi\n0.500000 0.500000 -0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.735244 0.278028 0.735245 O\n0.264754 0.264755 0.721971 O\n0.264755 0.721972 0.264754 O\n0.721971 0.264755 0.264755 O\n0.257696 0.257697 0.257696 O\n0.742304 0.742303 0.742304 O\n0.278030 0.735245 0.735244 O\n0.735246 0.735245 0.278028 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 7.8436963915660485,
"density_atomic": 0.062138476296060334,
"volume": 209.21015085824075,
"volume_molar": 9.691484437608926,
"formula_full": "Mg1 Bi4 O8",
"formula_reduced": "Mg(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.989892634615385,
"spacegroup": 166
},
{
"id": "jvasp-103640",
"created_at": "2022-09-04T14:36:50.945818Z",
"updated_at": "2022-09-04T14:36:50.945842Z",
"structure_string": "Zr3 Rh1\n1.0\n3.750618 -0.009713 -4.342553\n-0.526486 3.713494 -4.342553\n0.008455 0.009713 5.738016\nZr Rh\n3 1\ndirect\n0.750000 0.250000 0.500000 Zr\n0.249999 0.749999 0.499999 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Rh"
],
"chemical_system": "Rh-Zr",
"density": 7.7964192429637755,
"density_atomic": 0.04987141730063618,
"volume": 80.20626275541952,
"volume_molar": 12.075335103667046,
"formula_full": "Zr3 Rh1",
"formula_reduced": "Zr3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 3.880844125,
"spacegroup": 139
},
{
"id": "jvasp-103641",
"created_at": "2022-09-04T14:36:51.523047Z",
"updated_at": "2022-09-04T14:36:51.523066Z",
"structure_string": "Yb4 Pb2 Au4\n1.0\n8.092081 -0.000000 0.000000\n0.000000 8.092081 0.000000\n-0.000000 -0.000000 3.658099\nYb Pb Au\n4 2 4\ndirect\n0.329437 0.829437 -0.000000 Yb\n0.670563 0.170563 -0.000000 Yb\n0.829437 0.670563 -0.000000 Yb\n0.170563 0.329437 -0.000000 Yb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n0.374214 0.125786 0.500000 Au\n0.625786 0.874214 0.500000 Au\n0.874214 0.374214 0.500000 Au\n0.125786 0.625786 0.500000 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Pb",
"Au"
],
"chemical_system": "Au-Pb-Yb",
"density": 13.132605819679723,
"density_atomic": 0.041746887604422696,
"volume": 239.53881531854827,
"volume_molar": 14.425364633319417,
"formula_full": "Yb4 Pb2 Au4",
"formula_reduced": "Yb2PbAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-103642",
"created_at": "2022-09-04T14:36:50.192330Z",
"updated_at": "2022-09-04T14:36:50.192345Z",
"structure_string": "Ca2 Tl2 Br6\n1.0\n7.314471 0.040535 0.000000\n-6.101615 4.034034 0.000000\n-0.000000 -0.000000 10.886444\nCa Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.256103 0.743895 0.250000 Tl\n0.743895 0.256103 0.750000 Tl\n0.636574 0.363424 0.049260 Br\n0.363424 0.636574 0.950739 Br\n0.363424 0.636574 0.549260 Br\n0.636574 0.363424 0.450740 Br\n0.935046 0.064951 0.250000 Br\n0.064952 0.935046 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Br"
],
"chemical_system": "Br-Ca-Tl",
"density": 4.964165876557798,
"density_atomic": 0.030872113017127223,
"volume": 323.91692769627406,
"volume_molar": 19.506733331337045,
"formula_full": "Ca2 Tl2 Br6",
"formula_reduced": "CaTlBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}