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=4530",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=4528",
"results": [
{
"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-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-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-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-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-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-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-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-120455",
"created_at": "2022-09-04T14:38:38.359289Z",
"updated_at": "2022-09-04T14:38:38.359314Z",
"structure_string": "Er6 Al7 Cu16\n1.0\n7.483450 -0.000000 4.320572\n2.494483 7.055465 4.320572\n0.000000 -0.000000 8.641144\nEr Al Cu\n6 7 16\ndirect\n0.710543 0.710543 0.289457 Er\n0.289457 0.710543 0.289457 Er\n0.710543 0.289457 0.289457 Er\n0.289457 0.289457 0.710543 Er\n0.710543 0.289457 0.710543 Er\n0.289457 0.710543 0.710543 Er\n0.500000 0.000000 -0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.328240 0.015280 0.328240 Cu\n0.328240 0.328240 0.015280 Cu\n0.671760 0.671759 0.671759 Cu\n0.984719 0.671759 0.671759 Cu\n0.671760 0.984719 0.671760 Cu\n0.671760 0.671759 0.984719 Cu\n0.120980 0.120980 0.120980 Cu\n0.879020 0.362940 0.879019 Cu\n0.120980 0.637060 0.120980 Cu\n0.120980 0.120980 0.637060 Cu\n0.879019 0.879019 0.879019 Cu\n0.362940 0.879019 0.879019 Cu\n0.015280 0.328240 0.328240 Cu\n0.879019 0.879019 0.362940 Cu\n0.637060 0.120980 0.120980 Cu\n0.328240 0.328240 0.328240 Cu\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Er",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Er",
"density": 8.040400360849867,
"density_atomic": 0.06356224856428727,
"volume": 456.24565925589013,
"volume_molar": 9.474398555786095,
"formula_full": "Er6 Al7 Cu16",
"formula_reduced": "Er6Al7Cu16",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 0.5729840275862069,
"spacegroup": 225
},
{
"id": "jvasp-110335",
"created_at": "2022-09-04T14:38:38.368950Z",
"updated_at": "2022-09-04T14:38:38.368970Z",
"structure_string": "Na2 Li1 Y1 F6\n1.0\n5.056617 0.000000 2.919439\n1.685539 4.767424 2.919439\n-0.000000 -0.000000 5.838878\nNa Li Y F\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.740000 0.260001 0.260001 F\n0.260001 0.260001 0.739999 F\n0.260001 0.739999 0.740000 F\n0.260001 0.739999 0.260001 F\n0.740000 0.260001 0.739999 F\n0.740000 0.739999 0.260001 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Y",
"F"
],
"chemical_system": "F-Li-Na-Y",
"density": 3.017900609952523,
"density_atomic": 0.0710438944111722,
"volume": 140.75804941272227,
"volume_molar": 8.47664786666449,
"formula_full": "Na2 Li1 Y1 F6",
"formula_reduced": "Na2LiYF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110920",
"created_at": "2022-09-04T14:38:38.438169Z",
"updated_at": "2022-09-04T14:38:38.438186Z",
"structure_string": "Zn7 Tc1\n1.0\n4.743552 -0.000000 2.738691\n1.581184 4.472264 2.738691\n-0.000000 -0.000000 5.477382\nZn Tc\n7 1\ndirect\n0.500000 0.000000 0.000000 Zn\n-0.000000 0.500000 0.500000 Zn\n-0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Tc"
],
"chemical_system": "Tc-Zn",
"density": 7.9435152956994575,
"density_atomic": 0.06884713284596612,
"volume": 116.19946494937783,
"volume_molar": 8.747119177022995,
"formula_full": "Zn7 Tc1",
"formula_reduced": "Zn7Tc",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110469",
"created_at": "2022-09-04T14:38:38.449843Z",
"updated_at": "2022-09-04T14:38:38.449873Z",
"structure_string": "Sr2 Tl1 In1\n1.0\n4.963875 0.000000 2.865894\n1.654625 4.679986 2.865894\n-0.000000 0.000000 5.731788\nSr Tl In\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Sr\n0.749998 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"In"
],
"chemical_system": "In-Sr-Tl",
"density": 6.166068253241614,
"density_atomic": 0.030040314973381613,
"volume": 133.15439613547179,
"volume_molar": 20.04686290851528,
"formula_full": "Sr2 Tl1 In1",
"formula_reduced": "Sr2TlIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}