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=formula_anonymous&page=143",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=141",
"results": [
{
"id": "jvasp-102306",
"created_at": "2022-09-04T14:36:43.464338Z",
"updated_at": "2022-09-04T14:36:43.464372Z",
"structure_string": "Mg2 Sb3\n1.0\n4.744366 -0.000000 0.000000\n-2.372183 4.108741 0.000000\n0.000000 0.000000 7.252636\nMg Sb\n2 3\ndirect\n0.333334 0.666667 0.162906 Mg\n0.666667 0.333333 0.837094 Mg\n0.333334 0.666667 0.583485 Sb\n0.666667 0.333333 0.416515 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.861286297995896,
"density_atomic": 0.03536610013688121,
"volume": 141.37832502447156,
"volume_molar": 17.028003474207964,
"formula_full": "Mg2 Sb3",
"formula_reduced": "Mg2Sb3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.9278293114285716,
"spacegroup": 164
},
{
"id": "jvasp-50097",
"created_at": "2022-09-04T14:36:48.151462Z",
"updated_at": "2022-09-04T14:36:48.151489Z",
"structure_string": "Sc4 O6\n1.0\n5.357707 -0.000000 0.000000\n-2.678854 1.546637 4.761942\n2.678854 -4.639910 0.000000\nSc O\n4 6\ndirect\n0.143969 0.431905 0.143968 Sc\n0.356031 0.068094 0.356031 Sc\n0.643969 0.931905 0.643968 Sc\n0.856031 0.568094 0.856031 Sc\n0.250000 0.750000 0.549464 O\n0.049465 0.250000 0.750000 O\n0.450536 0.250000 0.049465 O\n0.549465 0.750000 0.950535 O\n0.950536 0.750000 0.249999 O\n0.750000 0.250000 0.450535 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sc",
"O"
],
"chemical_system": "O-Sc",
"density": 3.869031892864898,
"density_atomic": 0.08447484089993919,
"volume": 118.37844136155336,
"volume_molar": 7.128916368286804,
"formula_full": "Sc4 O6",
"formula_reduced": "Sc2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.8927842,
"spacegroup": 167
},
{
"id": "jvasp-102664",
"created_at": "2022-09-04T14:36:49.970252Z",
"updated_at": "2022-09-04T14:36:49.970270Z",
"structure_string": "Ti4 Te6\n1.0\n6.042677 0.000220 4.357458\n2.230139 5.616086 4.357458\n0.000323 0.000220 7.449925\nTi Te\n4 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.160141 0.160141 0.160141 Ti\n0.839858 0.839859 0.839858 Ti\n0.000000 0.000000 0.000000 Ti\n0.923090 0.574517 0.264276 Te\n0.264276 0.923090 0.574516 Te\n0.574516 0.264277 0.923089 Te\n0.425483 0.735724 0.076911 Te\n0.735724 0.076911 0.425483 Te\n0.076910 0.425484 0.735723 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.2864142772261555,
"density_atomic": 0.03955588491749006,
"volume": 252.8068837509028,
"volume_molar": 15.224386390448936,
"formula_full": "Ti4 Te6",
"formula_reduced": "Ti2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.062955993333333,
"spacegroup": 148
},
{
"id": "jvasp-105482",
"created_at": "2022-09-04T14:37:00.287437Z",
"updated_at": "2022-09-04T14:37:00.287457Z",
"structure_string": "In2 S3\n1.0\n5.153952 -0.014677 -4.591462\n-0.385356 3.759025 -5.776348\n-0.132036 0.014677 6.901255\nIn S\n2 3\ndirect\n0.666803 0.656791 0.010010 In\n0.353220 0.343207 0.010010 In\n0.378623 0.156301 0.222323 S\n0.066022 0.843698 0.222322 S\n0.785330 0.499999 0.285330 S\n",
"nsites": 5,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 4.103951466417158,
"density_atomic": 0.03792544817944481,
"volume": 131.83759823595037,
"volume_molar": 15.878891480744416,
"formula_full": "In2 S3",
"formula_reduced": "In2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.885541988,
"spacegroup": 44
},
{
"id": "jvasp-11950",
"created_at": "2022-09-04T14:36:41.675272Z",
"updated_at": "2022-09-04T14:36:41.675298Z",
"structure_string": "Al3 Ni2\n1.0\n4.042248 -0.000000 -0.000000\n-2.021125 3.500689 0.000000\n-0.000000 -0.000000 4.911421\nAl Ni\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.648159 Al\n0.666668 0.333333 0.351841 Al\n0.333334 0.666667 0.148795 Ni\n0.666668 0.333333 0.851205 Ni\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Ni"
],
"chemical_system": "Al-Ni",
"density": 4.738675416844167,
"density_atomic": 0.07194263770805244,
"volume": 69.49981484262922,
"volume_molar": 8.370753355525009,
"formula_full": "Al3 Ni2",
"formula_reduced": "Al3Ni2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.39094464,
"spacegroup": 164
},
{
"id": "jvasp-8766",
"created_at": "2022-09-04T14:36:39.686990Z",
"updated_at": "2022-09-04T14:36:39.687007Z",
"structure_string": "Nd2 O3\n1.0\n4.489758 -0.000000 -0.000000\n0.000000 4.489758 -0.000000\n0.000000 0.000000 4.489758\nNd O\n2 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Nd",
"O"
],
"chemical_system": "Nd-O",
"density": 6.173655527853298,
"density_atomic": 0.05524604660414845,
"volume": 90.50421355624292,
"volume_molar": 10.900582268175901,
"formula_full": "Nd2 O3",
"formula_reduced": "Nd2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.8143007,
"spacegroup": 221
},
{
"id": "jvasp-104707",
"created_at": "2022-09-04T14:36:57.305346Z",
"updated_at": "2022-09-04T14:36:57.305362Z",
"structure_string": "Ni3 S2\n1.0\n3.312237 0.010717 6.443385\n1.567556 2.917841 6.443385\n0.017858 0.010717 7.244847\nNi S\n3 2\ndirect\n0.104784 0.104784 0.104784 Ni\n0.990804 0.990803 0.990798 Ni\n0.509658 0.509657 0.509655 Ni\n0.381675 0.381675 0.381673 S\n0.888084 0.888083 0.888079 S\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 5.7440752404212985,
"density_atomic": 0.07200283261452267,
"volume": 69.44171247773272,
"volume_molar": 8.363755343127096,
"formula_full": "Ni3 S2",
"formula_reduced": "Ni3S2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.41895344,
"spacegroup": 160
},
{
"id": "jvasp-105316",
"created_at": "2022-09-04T14:36:58.592271Z",
"updated_at": "2022-09-04T14:36:58.592291Z",
"structure_string": "Si2 Rh3\n1.0\n3.981920 0.000000 0.000000\n-1.990961 3.448444 0.000000\n0.000000 -0.000000 5.181412\nSi Rh\n2 3\ndirect\n0.333333 0.666666 0.206704 Si\n0.666666 0.333333 0.793296 Si\n0.333333 0.666666 0.672885 Rh\n0.666666 0.333333 0.327115 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 8.516168555335168,
"density_atomic": 0.07027586008542008,
"volume": 71.14818650276946,
"volume_molar": 8.569287878768197,
"formula_full": "Si2 Rh3",
"formula_reduced": "Si2Rh3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.03925524,
"spacegroup": 164
},
{
"id": "jvasp-7982",
"created_at": "2022-09-04T14:36:49.628531Z",
"updated_at": "2022-09-04T14:36:49.628562Z",
"structure_string": "Pr2 O3\n1.0\n1.949437 -3.376525 -0.000000\n1.949437 3.376525 -0.000000\n0.000000 -0.000000 6.090438\nPr O\n2 3\ndirect\n0.666668 0.333333 0.247037 Pr\n0.333333 0.666668 0.752964 Pr\n0.666668 0.333333 0.645612 O\n0.333333 0.666668 0.354389 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Pr",
"O"
],
"chemical_system": "O-Pr",
"density": 6.830615344005605,
"density_atomic": 0.06236089046269017,
"volume": 80.17845740979989,
"volume_molar": 9.6569191288296,
"formula_full": "Pr2 O3",
"formula_reduced": "Pr2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6339007,
"spacegroup": 164
},
{
"id": "jvasp-18991",
"created_at": "2022-09-04T14:36:35.827512Z",
"updated_at": "2022-09-04T14:36:35.827553Z",
"structure_string": "Sb8 O12\n1.0\n4.946477 -0.000000 0.000000\n-0.000000 5.460648 0.000000\n0.000000 0.000000 12.487174\nSb O\n8 12\ndirect\n0.961640 0.177439 0.872764 Sb\n0.461640 0.322561 0.127236 Sb\n0.538361 0.177439 0.627236 Sb\n0.038360 0.322561 0.372764 Sb\n0.038360 0.822561 0.127236 Sb\n0.538361 0.677439 0.872764 Sb\n0.461640 0.822561 0.372764 Sb\n0.961640 0.677439 0.627236 Sb\n0.644558 0.348824 0.942131 O\n0.144558 0.151177 0.057868 O\n0.144558 0.651177 0.442132 O\n0.644558 0.848824 0.557868 O\n0.355443 0.651177 0.057868 O\n0.250000 0.489782 0.250000 O\n0.750000 0.510218 0.750000 O\n0.250000 0.989783 0.250000 O\n0.355443 0.151177 0.442132 O\n0.750000 0.010218 0.750000 O\n0.855443 0.848824 0.942131 O\n0.855443 0.348824 0.557868 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.740773639370702,
"density_atomic": 0.05929603527247203,
"volume": 337.290679015852,
"volume_molar": 10.156059730347193,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.93636054,
"spacegroup": 56
},
{
"id": "jvasp-49913",
"created_at": "2022-09-04T14:36:49.585889Z",
"updated_at": "2022-09-04T14:36:49.585923Z",
"structure_string": "Y4 O6\n1.0\n5.805311 -0.000000 -0.000000\n-2.902654 1.675849 5.036274\n2.902654 -5.027547 -0.000000\nY O\n4 6\ndirect\n0.141501 0.424501 0.141500 Y\n0.358499 0.075499 0.358500 Y\n0.641499 0.924500 0.641499 Y\n0.858500 0.575499 0.858501 Y\n0.250000 0.749999 0.542791 O\n0.042791 0.250000 0.750000 O\n0.457209 0.250000 0.042791 O\n0.542791 0.749999 0.957209 O\n0.957209 0.749999 0.250000 O\n0.750000 0.250000 0.457209 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Y",
"O"
],
"chemical_system": "O-Y",
"density": 5.1018900116909744,
"density_atomic": 0.06803133919960717,
"volume": 146.9910796649104,
"volume_molar": 8.85200972206464,
"formula_full": "Y4 O6",
"formula_reduced": "Y2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.01605828,
"spacegroup": 167
},
{
"id": "jvasp-99321",
"created_at": "2022-09-04T14:36:39.355557Z",
"updated_at": "2022-09-04T14:36:39.355583Z",
"structure_string": "Tm16 S24\n1.0\n10.195982 0.000000 -3.604824\n-5.097991 8.829979 -3.604824\n0.000000 0.000000 10.814472\nTm S\n16 24\ndirect\n0.500000 0.500000 0.500000 Tm\n0.951650 0.250000 0.201651 Tm\n0.750000 0.298350 0.548350 Tm\n0.201650 0.951650 0.250000 Tm\n0.298350 0.548350 0.750000 Tm\n0.250000 0.201650 0.951650 Tm\n0.048350 0.750000 0.798350 Tm\n0.548350 0.750000 0.298350 Tm\n0.798350 0.048350 0.750000 Tm\n0.701650 0.451650 0.250000 Tm\n0.750000 0.798350 0.048350 Tm\n0.451650 0.250000 0.701650 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 -0.000000 0.000000 Tm\n0.250000 0.701650 0.451651 Tm\n-0.000000 -0.000000 0.500000 Tm\n0.722708 0.267105 0.777882 S\n0.777292 0.555173 0.544397 S\n0.989224 0.944827 0.722119 S\n0.955603 0.510776 0.232896 S\n0.055173 0.277881 0.010776 S\n0.777881 0.722708 0.267105 S\n0.767105 0.044397 0.489224 S\n0.732895 0.222119 0.277292 S\n0.455603 0.222708 0.444827 S\n0.222708 0.444827 0.455603 S\n0.010776 0.055173 0.277881 S\n0.044397 0.489224 0.767105 S\n0.277292 0.732895 0.222119 S\n0.510776 0.232895 0.955603 S\n0.277881 0.010776 0.055173 S\n0.222119 0.277292 0.732895 S\n0.444827 0.455603 0.222708 S\n0.944827 0.722119 0.989224 S\n0.232895 0.955603 0.510777 S\n0.267105 0.777881 0.722708 S\n0.544397 0.777292 0.555174 S\n0.555173 0.544397 0.777292 S\n0.489224 0.767105 0.044398 S\n0.722119 0.989224 0.944827 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 5.922406609136596,
"density_atomic": 0.0410833585683172,
"volume": 973.6302336013816,
"volume_molar": 14.658345787348004,
"formula_full": "Tm16 S24",
"formula_reduced": "Tm2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3399397,
"spacegroup": 206
}
]
}