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=-spacegroup&page=116",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=114",
"results": [
{
"id": "jvasp-111142",
"created_at": "2022-09-04T14:38:38.345348Z",
"updated_at": "2022-09-04T14:38:38.345375Z",
"structure_string": "Rb2 Na1 Co1 F6\n1.0\n5.090451 -0.000000 2.938973\n1.696817 4.799323 2.938973\n-0.000000 -0.000000 5.877947\nRb Na Co F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Co\n0.225493 0.774507 0.774507 F\n0.225493 0.774507 0.225492 F\n0.774508 0.225492 0.774508 F\n0.225493 0.225492 0.774508 F\n0.774508 0.225492 0.225492 F\n0.774508 0.774507 0.225492 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Co",
"F"
],
"chemical_system": "Co-F-Na-Rb",
"density": 4.242037572878922,
"density_atomic": 0.06963668575438907,
"volume": 143.60246889506396,
"volume_molar": 8.647942811695968,
"formula_full": "Rb2 Na1 Co1 F6",
"formula_reduced": "Rb2NaCoF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110377",
"created_at": "2022-09-04T14:38:38.339393Z",
"updated_at": "2022-09-04T14:38:38.339403Z",
"structure_string": "Rb2 Na1 Mo1 Br6\n1.0\n6.638464 0.000000 3.832719\n2.212821 6.258803 3.832719\n-0.000000 -0.000000 7.665437\nRb Na Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Mo\n0.760737 0.239262 0.239263 Br\n0.239262 0.239262 0.760738 Br\n0.239262 0.760737 0.760738 Br\n0.239262 0.760737 0.239263 Br\n0.760737 0.239262 0.760738 Br\n0.760737 0.760737 0.239263 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Mo",
"Br"
],
"chemical_system": "Br-Mo-Na-Rb",
"density": 4.010910981520929,
"density_atomic": 0.031398159755545135,
"volume": 318.4900031675879,
"volume_molar": 19.179916297280602,
"formula_full": "Rb2 Na1 Mo1 Br6",
"formula_reduced": "Rb2NaMoBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2177229529999999,
"spacegroup": 225
},
{
"id": "jvasp-110466",
"created_at": "2022-09-04T14:38:38.304505Z",
"updated_at": "2022-09-04T14:38:38.304526Z",
"structure_string": "Sc2 Pd1 Rh1\n1.0\n3.991473 -0.000000 2.304478\n1.330491 3.763196 2.304478\n0.000000 0.000000 4.608956\nSc Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750001 0.750001 Sc\n0.499999 0.500000 0.500001 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Rh"
],
"chemical_system": "Pd-Rh-Sc",
"density": 7.177484501267101,
"density_atomic": 0.05777865061283079,
"volume": 69.22972339391616,
"volume_molar": 10.422778476350702,
"formula_full": "Sc2 Pd1 Rh1",
"formula_reduced": "Sc2PdRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1897498,
"spacegroup": 225
},
{
"id": "jvasp-110884",
"created_at": "2022-09-04T14:38:38.225607Z",
"updated_at": "2022-09-04T14:38:38.225616Z",
"structure_string": "Y2 Cu1 Au1\n1.0\n4.323744 -0.000000 2.496315\n1.441248 4.076465 2.496315\n-0.000000 -0.000000 4.992630\nY Cu Au\n2 1 1\ndirect\n0.750000 0.749999 0.749999 Y\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Cu\n0.500000 0.499999 0.499999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Y",
"density": 8.271257518300704,
"density_atomic": 0.04545555021926346,
"volume": 87.99805481850383,
"volume_molar": 13.248416818080658,
"formula_full": "Y2 Cu1 Au1",
"formula_reduced": "Y2CuAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.29389973,
"spacegroup": 225
},
{
"id": "jvasp-41067",
"created_at": "2022-09-04T14:38:37.111533Z",
"updated_at": "2022-09-04T14:38:37.111553Z",
"structure_string": "Hf1 In1 Co2\n1.0\n-0.000004 3.111842 3.111801\n3.111844 0.000000 3.111797\n3.111833 3.111825 0.000013\nHf In Co\n1 1 2\ndirect\n0.250000 0.249999 0.250001 Hf\n0.750000 0.749999 0.750000 In\n0.499999 0.500000 0.499999 Co\n0.000002 -0.000002 1.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"In",
"Co"
],
"chemical_system": "Co-Hf-In",
"density": 11.329241858453173,
"density_atomic": 0.06637211933288603,
"volume": 60.26626903290824,
"volume_molar": 9.073298879905062,
"formula_full": "Hf1 In1 Co2",
"formula_reduced": "HfInCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8117611925,
"spacegroup": 225
},
{
"id": "jvasp-110878",
"created_at": "2022-09-04T14:38:37.018143Z",
"updated_at": "2022-09-04T14:38:37.018166Z",
"structure_string": "Tm2 Ni1 Pt1\n1.0\n4.141300 -0.000000 2.390980\n1.380433 3.904455 2.390980\n0.000000 -0.000000 4.781961\nTm Ni Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.749999 0.750000 Tm\n0.500000 0.499999 0.500000 Ni\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"Pt"
],
"chemical_system": "Ni-Pt-Tm",
"density": 12.705967904972738,
"density_atomic": 0.051731711544741966,
"volume": 77.32201159709284,
"volume_molar": 11.641100942101138,
"formula_full": "Tm2 Ni1 Pt1",
"formula_reduced": "Tm2NiPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3488955750000002,
"spacegroup": 225
},
{
"id": "jvasp-110368",
"created_at": "2022-09-04T14:38:38.185146Z",
"updated_at": "2022-09-04T14:38:38.185175Z",
"structure_string": "Na3 Sc1 Br6\n1.0\n6.622427 0.000000 3.823460\n2.207475 6.243684 3.823460\n0.000000 0.000000 7.646920\nNa Sc Br\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.757677 0.242323 0.242323 Br\n0.242324 0.242323 0.757677 Br\n0.242324 0.757676 0.757677 Br\n0.242324 0.757676 0.242323 Br\n0.757677 0.242323 0.757676 Br\n0.757678 0.757676 0.242323 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Sc",
"Br"
],
"chemical_system": "Br-Na-Sc",
"density": 3.116124722196021,
"density_atomic": 0.03162680775804452,
"volume": 316.1874595913469,
"volume_molar": 19.04125388205903,
"formula_full": "Na3 Sc1 Br6",
"formula_reduced": "Na3ScBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.015307,
"spacegroup": 225
},
{
"id": "jvasp-110761",
"created_at": "2022-09-04T14:38:38.113001Z",
"updated_at": "2022-09-04T14:38:38.113022Z",
"structure_string": "Ca1 Y1 Pd2\n1.0\n4.279537 0.000000 2.470792\n1.426512 4.034786 2.470792\n-0.000000 -0.000000 4.941584\nCa Y Pd\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750001 0.749999 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Pd"
],
"chemical_system": "Ca-Pd-Y",
"density": 6.652241172655546,
"density_atomic": 0.046878803483189714,
"volume": 85.32640986526803,
"volume_molar": 12.846191268852417,
"formula_full": "Ca1 Y1 Pd2",
"formula_reduced": "CaYPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2286818175,
"spacegroup": 225
},
{
"id": "jvasp-110516",
"created_at": "2022-09-04T14:38:37.879967Z",
"updated_at": "2022-09-04T14:38:37.879997Z",
"structure_string": "Zr1 Cu1 F6\n1.0\n4.948342 0.000000 2.856927\n1.649447 4.665342 2.856927\n-0.000000 -0.000000 5.713854\nZr Cu F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Cu\n0.250418 0.749582 0.749582 F\n0.749582 0.250418 0.749582 F\n0.250418 0.250418 0.749582 F\n0.250418 0.749582 0.250418 F\n0.749582 0.250418 0.250418 F\n0.749582 0.749582 0.250419 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"F"
],
"chemical_system": "Cu-F-Zr",
"density": 3.3833121972540723,
"density_atomic": 0.06064816345971825,
"volume": 131.9083636442429,
"volume_molar": 9.929634166086217,
"formula_full": "Zr1 Cu1 F6",
"formula_reduced": "ZrCuF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0652433306249999,
"spacegroup": 225
},
{
"id": "jvasp-110379",
"created_at": "2022-09-04T14:38:38.296758Z",
"updated_at": "2022-09-04T14:38:38.296780Z",
"structure_string": "Rb2 In1 Bi1 Cl6\n1.0\n6.882802 0.000000 3.973787\n2.294267 6.489167 3.973787\n0.000000 0.000000 7.947574\nRb In Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.758286 0.241714 0.241714 Cl\n0.241714 0.241714 0.758286 Cl\n0.241714 0.758286 0.758286 Cl\n0.241714 0.758286 0.241714 Cl\n0.758286 0.241714 0.758286 Cl\n0.758286 0.758286 0.241714 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-In-Rb",
"density": 3.309461008281502,
"density_atomic": 0.028171579186277128,
"volume": 354.9676762483793,
"volume_molar": 21.376653116178485,
"formula_full": "Rb2 In1 Bi1 Cl6",
"formula_reduced": "Rb2InBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110405",
"created_at": "2022-09-04T14:38:38.243529Z",
"updated_at": "2022-09-04T14:38:38.243555Z",
"structure_string": "Ca1 Y1 Pt2\n1.0\n4.256901 -0.000000 2.457723\n1.418967 4.013444 2.457723\n0.000000 -0.000000 4.915445\nCa Y Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Pt\n0.750001 0.749999 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Pt"
],
"chemical_system": "Ca-Pt-Y",
"density": 10.265258838789652,
"density_atomic": 0.04763063730689871,
"volume": 83.97956076520205,
"volume_molar": 12.6434183972755,
"formula_full": "Ca1 Y1 Pt2",
"formula_reduced": "CaYPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6303796675000002,
"spacegroup": 225
},
{
"id": "jvasp-110404",
"created_at": "2022-09-04T14:38:38.122097Z",
"updated_at": "2022-09-04T14:38:38.122127Z",
"structure_string": "Bi3 Au1\n1.0\n4.703324 -0.000000 2.715465\n1.567775 4.434337 2.715465\n0.000000 0.000000 5.430931\nBi Au\n3 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.750000 0.750001 0.750001 Bi\n0.500000 0.500000 0.500001 Bi\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"Au"
],
"chemical_system": "Au-Bi",
"density": 12.078689512496966,
"density_atomic": 0.035314422901493364,
"volume": 113.26816839560614,
"volume_molar": 17.05292134264309,
"formula_full": "Bi3 Au1",
"formula_reduced": "Bi3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8202151175000001,
"spacegroup": 225
}
]
}