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=-volume_molar&page=115",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=113",
"results": [
{
"id": "jvasp-29542",
"created_at": "2022-09-04T14:38:01.546528Z",
"updated_at": "2022-09-04T14:38:01.546553Z",
"structure_string": "Pb4 I8\n1.0\n4.585933 0.000000 -0.000000\n-2.292966 3.971535 0.000000\n0.000000 -0.000000 28.176453\nPb I\n4 8\ndirect\n0.333333 0.666668 0.750176 Pb\n0.333333 0.666668 -0.000181 Pb\n0.666667 0.333333 0.250176 Pb\n0.666667 0.333333 0.499819 Pb\n0.333333 0.666668 0.182916 I\n0.000000 0.000000 0.817471 I\n0.000000 0.000000 0.067093 I\n0.666667 0.333333 0.932525 I\n0.666667 0.333333 0.682916 I\n0.000000 0.000000 0.317471 I\n0.333333 0.666668 0.432525 I\n0.000000 0.000000 0.567093 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.966862300849664,
"density_atomic": 0.023383462813327607,
"volume": 513.1831882983771,
"volume_molar": 25.7538449633201,
"formula_full": "Pb4 I8",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001099999999999,
"spacegroup": 186
},
{
"id": "jvasp-100874",
"created_at": "2022-09-04T14:36:50.638351Z",
"updated_at": "2022-09-04T14:36:50.638366Z",
"structure_string": "Sr1 Ca1 I4\n1.0\n4.600020 -0.000000 0.000000\n0.000000 6.964293 0.021678\n-0.000000 0.001911 8.008578\nSr Ca I\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.254013 0.654974 I\n0.500000 0.263136 0.178863 I\n0.500000 0.736864 0.821137 I\n-0.000000 0.745986 0.345027 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"I"
],
"chemical_system": "Ca-I-Sr",
"density": 4.111941873649531,
"density_atomic": 0.023386186507990073,
"volume": 256.5617099628472,
"volume_molar": 25.75084551704267,
"formula_full": "Sr1 Ca1 I4",
"formula_reduced": "SrCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 10
},
{
"id": "jvasp-64544",
"created_at": "2022-09-04T14:35:56.793681Z",
"updated_at": "2022-09-04T14:35:56.793708Z",
"structure_string": "Ba4 Zn1 Te1\n1.0\n-0.000000 5.043025 5.043025\n5.043025 0.000000 5.043025\n5.043025 5.043025 0.000000\nBa Zn Te\n4 1 1\ndirect\n0.128550 0.623817 0.623817 Ba\n0.623817 0.623817 0.623817 Ba\n0.623817 0.128550 0.623817 Ba\n0.623817 0.623817 0.128550 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Te"
],
"chemical_system": "Ba-Te-Zn",
"density": 4.805461974386776,
"density_atomic": 0.023390951658053452,
"volume": 256.5094438102613,
"volume_molar": 25.74559961491174,
"formula_full": "Ba4 Zn1 Te1",
"formula_reduced": "Ba4ZnTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66363",
"created_at": "2022-09-04T14:36:21.410974Z",
"updated_at": "2022-09-04T14:36:21.411007Z",
"structure_string": "Ba1 Te1 Br1\n1.0\n0.000000 4.002571 4.002571\n4.002571 -0.000000 4.002571\n4.002571 4.002571 0.000000\nBa Te Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Br"
],
"chemical_system": "Ba-Br-Te",
"density": 4.464864362890016,
"density_atomic": 0.02339236467451302,
"volume": 128.24697467497282,
"volume_molar": 25.744044451228053,
"formula_full": "Ba1 Te1 Br1",
"formula_reduced": "BaTeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64401",
"created_at": "2022-09-04T14:36:07.450890Z",
"updated_at": "2022-09-04T14:36:07.450923Z",
"structure_string": "Ba4 Sc1 Sn1\n1.0\n-0.000000 5.042546 5.042546\n5.042546 -0.000000 5.042546\n5.042546 5.042546 -0.000000\nBa Sc Sn\n4 1 1\ndirect\n0.122560 0.625814 0.625814 Ba\n0.625814 0.625814 0.625814 Ba\n0.625814 0.122560 0.625814 Ba\n0.625814 0.625814 0.122560 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Sn"
],
"chemical_system": "Ba-Sc-Sn",
"density": 4.616822042902899,
"density_atomic": 0.023397618129825926,
"volume": 256.43635889379476,
"volume_molar": 25.738264154005165,
"formula_full": "Ba4 Sc1 Sn1",
"formula_reduced": "Ba4ScSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4415951383333332,
"spacegroup": 216
},
{
"id": "jvasp-120880",
"created_at": "2022-09-04T14:38:52.179995Z",
"updated_at": "2022-09-04T14:38:52.180013Z",
"structure_string": "Sr1 Be1 Br1\n1.0\n3.963191 0.000000 -0.000000\n0.000000 3.963191 0.000000\n-0.000000 -0.000000 8.162748\nSr Be Br\n1 1 1\ndirect\n0.000000 0.000000 0.023164 Sr\n0.000000 0.000000 0.394239 Be\n0.000000 0.000000 0.649434 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Br"
],
"chemical_system": "Be-Br-Sr",
"density": 2.286422219800646,
"density_atomic": 0.023398868650942296,
"volume": 128.21132699846098,
"volume_molar": 25.736888607037347,
"formula_full": "Sr1 Be1 Br1",
"formula_reduced": "SrBeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3909888383333332,
"spacegroup": 99
},
{
"id": "jvasp-64421",
"created_at": "2022-09-04T14:36:21.485184Z",
"updated_at": "2022-09-04T14:36:21.485207Z",
"structure_string": "Ba4 Mg1 Nb1\n1.0\n-0.000000 5.042217 5.042217\n5.042217 0.000000 5.042217\n5.042217 5.042217 -0.000000\nBa Mg Nb\n4 1 1\ndirect\n0.123599 0.625468 0.625468 Ba\n0.625468 0.625468 0.625468 Ba\n0.625468 0.123599 0.625468 Ba\n0.625468 0.625468 0.123599 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Nb"
],
"chemical_system": "Ba-Mg-Nb",
"density": 4.316853263134148,
"density_atomic": 0.023402198447561775,
"volume": 256.3861687372849,
"volume_molar": 25.733226617550685,
"formula_full": "Ba4 Mg1 Nb1",
"formula_reduced": "Ba4MgNb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8285820549999999,
"spacegroup": 216
},
{
"id": "jvasp-5173",
"created_at": "2022-09-04T14:35:49.916157Z",
"updated_at": "2022-09-04T14:35:49.916175Z",
"structure_string": "Pb1 I2\n1.0\n2.294241 -3.973743 0.000000\n2.294241 3.973743 0.000000\n0.000000 -0.000000 7.030431\nPb I\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.269404 I\n0.666667 0.333333 0.730596 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.97183344087873,
"density_atomic": 0.023402944152455033,
"volume": 128.1889996599121,
"volume_molar": 25.732406661186097,
"formula_full": "Pb1 I2",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-37501",
"created_at": "2022-09-04T14:37:58.052920Z",
"updated_at": "2022-09-04T14:37:58.052935Z",
"structure_string": "Ba1 Ca1 Yb2\n1.0\n-0.000000 4.404528 4.404528\n4.404528 -0.000000 4.404528\n4.404528 4.404528 -0.000000\nYb Ba Ca\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ba",
"Ca"
],
"chemical_system": "Ba-Ca-Yb",
"density": 5.086572255844988,
"density_atomic": 0.023406251656643486,
"volume": 170.89451393917082,
"volume_molar": 25.728770451336718,
"formula_full": "Ba1 Ca1 Yb2",
"formula_reduced": "BaCaYb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66272",
"created_at": "2022-09-04T14:36:11.388800Z",
"updated_at": "2022-09-04T14:36:11.388826Z",
"structure_string": "Ba1 Sr1 Pb1\n1.0\n-0.000000 4.001524 4.001524\n4.001524 -0.000000 4.001524\n4.001524 4.001524 0.000000\nBa Sr Pb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Pb"
],
"chemical_system": "Ba-Pb-Sr",
"density": 5.5998233380962805,
"density_atomic": 0.023410731337810603,
"volume": 128.14635974890322,
"volume_molar": 25.723847209649783,
"formula_full": "Ba1 Sr1 Pb1",
"formula_reduced": "BaSrPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-50613",
"created_at": "2022-09-04T14:37:16.738972Z",
"updated_at": "2022-09-04T14:37:16.738992Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n9.646695 0.159043 0.098423\n1.781114 -5.428144 0.000000\n1.781114 -2.421857 -4.857918\nBa Ca I\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500001 Ca\n0.142042 0.619319 0.619319 I\n0.394480 0.868506 0.868507 I\n0.605519 0.131493 0.131494 I\n0.857957 0.380681 0.380682 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.438508017544096,
"density_atomic": 0.023411761127111123,
"volume": 256.2814462108928,
"volume_molar": 25.722715720972754,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0113966666666666,
"spacegroup": 166
},
{
"id": "jvasp-1738",
"created_at": "2022-09-04T14:35:45.229215Z",
"updated_at": "2022-09-04T14:35:45.229235Z",
"structure_string": "Rb2 Se1\n1.0\n4.900764 0.000000 2.829457\n1.633588 4.620485 2.829457\n0.000000 0.000000 5.658915\nRb Se\n2 1\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Rb",
"Se"
],
"chemical_system": "Rb-Se",
"density": 3.2383455031908452,
"density_atomic": 0.023411903758770895,
"volume": 128.13994243744906,
"volume_molar": 25.722559011220525,
"formula_full": "Rb2 Se1",
"formula_reduced": "Rb2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}