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=865",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=863",
"results": [
{
"id": "jvasp-41913",
"created_at": "2022-09-04T14:37:30.519498Z",
"updated_at": "2022-09-04T14:37:30.519523Z",
"structure_string": "Sc2 Br4\n1.0\n6.679995 -0.000000 0.000000\n-0.000000 6.679995 0.000000\n0.000000 0.000000 3.712079\nSc Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.290268 0.290268 0.000000 Br\n0.709733 0.709733 0.000000 Br\n0.209733 0.790268 0.500000 Br\n0.790268 0.209733 0.500000 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Br"
],
"chemical_system": "Br-Sc",
"density": 4.105471354163896,
"density_atomic": 0.03622277892815427,
"volume": 165.6416260028156,
"volume_molar": 16.625286458403863,
"formula_full": "Sc2 Br4",
"formula_reduced": "ScBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2121578199999997,
"spacegroup": 136
},
{
"id": "jvasp-49917",
"created_at": "2022-09-04T14:37:18.332081Z",
"updated_at": "2022-09-04T14:37:18.332094Z",
"structure_string": "Ti8 O16\n1.0\n2.978453 -0.000000 0.000000\n-0.000000 4.723078 0.000000\n0.000000 0.000000 18.825155\nTi O\n8 16\ndirect\n0.749999 0.567396 0.930653 Ti\n0.250000 0.065691 0.811389 Ti\n0.749999 0.565691 0.688611 Ti\n0.250000 0.067396 0.569346 Ti\n0.749999 0.932605 0.430653 Ti\n0.250000 0.434309 0.311389 Ti\n0.749999 0.934310 0.188611 Ti\n0.250000 0.432604 0.069347 Ti\n0.749999 0.649340 0.116628 O\n0.749999 0.265875 0.261414 O\n0.250000 0.765875 0.238586 O\n0.250000 0.149339 0.383372 O\n0.749999 0.641402 0.360446 O\n0.250000 0.786311 0.484260 O\n0.749999 0.213690 0.515740 O\n0.250000 0.734125 0.738586 O\n0.749999 0.850661 0.616627 O\n0.749999 0.234125 0.761414 O\n0.250000 0.141401 0.139554 O\n0.250000 0.350661 0.883372 O\n0.749999 0.858599 0.860446 O\n0.250000 0.713690 0.984260 O\n0.250000 0.358599 0.639554 O\n0.749999 0.286310 0.015740 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.006318761303318,
"density_atomic": 0.09062683470898082,
"volume": 264.82222486384245,
"volume_molar": 6.644986310443463,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4869951111111113,
"spacegroup": 62
},
{
"id": "jvasp-36573",
"created_at": "2022-09-04T14:37:30.468418Z",
"updated_at": "2022-09-04T14:37:30.468449Z",
"structure_string": "Cr3 N6\n1.0\n2.081006 -3.604407 0.000000\n2.081005 3.604408 -0.000000\n0.000000 -0.000000 4.637118\nCr N\n3 6\ndirect\n0.357744 0.388518 0.001635 Cr\n0.030773 0.642255 0.334968 Cr\n0.611482 0.969226 0.668302 Cr\n0.189433 0.348184 0.579928 N\n0.158749 0.810566 0.913261 N\n0.651816 0.841250 0.246594 N\n0.337601 0.188223 0.418471 N\n0.811778 0.149378 0.085138 N\n0.850623 0.662400 0.751805 N\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 5.729630991086942,
"density_atomic": 0.12937705276163933,
"volume": 69.56411363444296,
"volume_molar": 4.654720935013897,
"formula_full": "Cr3 N6",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.490531299999999,
"spacegroup": 145
},
{
"id": "jvasp-85199",
"created_at": "2022-09-04T14:37:18.358569Z",
"updated_at": "2022-09-04T14:37:18.358596Z",
"structure_string": "Np2 Te4\n1.0\n4.454773 0.000000 -0.000000\n-0.000000 4.454773 -0.000000\n-0.000000 -0.000000 8.833901\nNp Te\n2 4\ndirect\n0.750000 0.750000 0.730186 Np\n0.250000 0.250000 0.269814 Np\n0.750000 0.750000 0.364895 Te\n0.250000 0.250000 0.635105 Te\n0.750000 0.250000 0.000000 Te\n0.250000 0.750000 0.000000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"Te"
],
"chemical_system": "Np-Te",
"density": 9.324316725067233,
"density_atomic": 0.03422532374761204,
"volume": 175.30878726658153,
"volume_molar": 17.595569889737494,
"formula_full": "Np2 Te4",
"formula_reduced": "NpTe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.415168511111111,
"spacegroup": 129
},
{
"id": "jvasp-35752",
"created_at": "2022-09-04T14:37:30.323807Z",
"updated_at": "2022-09-04T14:37:30.323842Z",
"structure_string": "Zr2 Cd1\n1.0\n3.087020 -0.000000 -0.000000\n-0.000000 3.087020 -0.000000\n-1.543510 -1.543510 6.980176\nZr Cd\n2 1\ndirect\n0.667892 0.667892 0.335784 Zr\n0.332108 0.332108 0.664217 Zr\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Cd"
],
"chemical_system": "Cd-Zr",
"density": 7.3606848937371465,
"density_atomic": 0.04509994322921385,
"volume": 66.51893073906855,
"volume_molar": 13.352878803845389,
"formula_full": "Zr2 Cd1",
"formula_reduced": "Zr2Cd",
"formula_anonymous": "AB2",
"energy_above_hull": 2.113055833333333,
"spacegroup": 139
},
{
"id": "jvasp-79142",
"created_at": "2022-09-04T14:37:18.380648Z",
"updated_at": "2022-09-04T14:37:18.380677Z",
"structure_string": "Mn2 Au1\n1.0\n2.716508 -0.000000 -0.000000\n0.000000 2.716508 0.000000\n-1.358254 -1.358254 5.411083\nMn Au\n2 1\ndirect\n0.692629 0.692629 0.385255 Mn\n0.307373 0.307373 0.614744 Mn\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 12.760234707682292,
"density_atomic": 0.07513029298203529,
"volume": 39.93063092030457,
"volume_molar": 8.015596001256082,
"formula_full": "Mn2 Au1",
"formula_reduced": "Mn2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 2.710254017586207,
"spacegroup": 139
},
{
"id": "jvasp-58385",
"created_at": "2022-09-04T14:37:30.268739Z",
"updated_at": "2022-09-04T14:37:30.268759Z",
"structure_string": "Si8 O16\n1.0\n7.071264 0.000000 0.000000\n-0.000000 7.071264 -0.000000\n0.000000 0.000000 7.071264\nSi O\n8 16\ndirect\n0.975434 0.524565 0.475434 Si\n0.524565 0.475434 0.975434 Si\n0.475434 0.975434 0.524565 Si\n0.024565 0.024565 0.024565 Si\n0.711377 0.788622 0.211377 Si\n0.788622 0.211377 0.711377 Si\n0.211377 0.711377 0.788622 Si\n0.288623 0.288623 0.288623 Si\n0.028521 0.638439 0.668963 O\n0.638439 0.668963 0.028521 O\n0.843704 0.656295 0.343705 O\n0.656295 0.343705 0.843704 O\n0.343705 0.843704 0.656295 O\n0.156295 0.156295 0.156295 O\n0.528521 0.861560 0.331036 O\n0.168963 0.471479 0.361560 O\n0.471479 0.361560 0.168963 O\n0.971478 0.138439 0.831036 O\n0.668963 0.028521 0.638439 O\n0.138439 0.831036 0.971478 O\n0.361560 0.168963 0.471479 O\n0.861560 0.331036 0.528521 O\n0.331036 0.528521 0.861560 O\n0.831036 0.971478 0.138439 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.257402156444883,
"density_atomic": 0.06787660108915254,
"volume": 353.58281962995164,
"volume_molar": 8.872189625538583,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.393231866666667,
"spacegroup": 198
},
{
"id": "jvasp-52134",
"created_at": "2022-09-04T14:37:18.409247Z",
"updated_at": "2022-09-04T14:37:18.409268Z",
"structure_string": "H4 O2\n1.0\n3.404757 0.000000 0.000000\n0.000000 3.404757 0.000000\n0.000000 0.000000 3.224045\nH O\n4 2\ndirect\n0.334963 0.334963 0.324818 H\n0.665038 0.665038 0.324818 H\n0.834964 0.165037 0.824818 H\n0.165037 0.834964 0.824818 H\n0.000000 0.000000 0.010362 O\n0.500000 0.500000 0.510361 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 1.6008357403841806,
"density_atomic": 0.16053802381473764,
"volume": 37.374323275114286,
"volume_molar": 3.7512239262080405,
"formula_full": "H4 O2",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9091878333333328,
"spacegroup": 102
},
{
"id": "jvasp-42615",
"created_at": "2022-09-04T14:37:30.218820Z",
"updated_at": "2022-09-04T14:37:30.218842Z",
"structure_string": "Ni4 S8\n1.0\n0.000000 4.525800 -0.000799\n6.579836 0.000000 0.000000\n0.000000 -0.000949 -6.188405\nNi S\n4 8\ndirect\n-0.000000 0.852985 0.250000 Ni\n-0.000000 0.147015 0.749999 Ni\n0.500000 0.647023 0.750000 Ni\n0.500000 0.352978 0.250000 Ni\n0.308276 0.912354 0.545152 S\n0.691723 0.912354 0.954847 S\n0.808277 0.587645 0.454853 S\n0.808277 0.412356 0.954852 S\n0.691723 0.087646 0.454847 S\n0.308277 0.087646 0.045153 S\n0.191723 0.412356 0.545147 S\n0.191723 0.587645 0.045147 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 4.426913507114075,
"density_atomic": 0.06511665435429856,
"volume": 184.284652198318,
"volume_molar": 9.248234295382622,
"formula_full": "Ni4 S8",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3449741333333334,
"spacegroup": 60
},
{
"id": "jvasp-35006",
"created_at": "2022-09-04T14:37:30.203968Z",
"updated_at": "2022-09-04T14:37:30.203988Z",
"structure_string": "Na4 Cl2\n1.0\n3.490200 -0.000000 -0.000000\n0.000000 3.490200 -0.000000\n0.000000 -0.000000 12.873587\nNa Cl\n4 2\ndirect\n0.000000 0.000000 0.235283 Na\n0.000000 0.000000 0.764717 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.364982 Cl\n0.500000 0.500000 0.635019 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Na",
"Cl"
],
"chemical_system": "Cl-Na",
"density": 1.7245542712102768,
"density_atomic": 0.03826053598497757,
"volume": 156.8195490610955,
"volume_molar": 15.73982330609405,
"formula_full": "Na4 Cl2",
"formula_reduced": "Na2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0929966666666667,
"spacegroup": 123
},
{
"id": "jvasp-35839",
"created_at": "2022-09-04T14:37:30.187047Z",
"updated_at": "2022-09-04T14:37:30.187075Z",
"structure_string": "Ce2 S4\n1.0\n4.112749 -0.000000 0.000000\n-0.000000 4.112749 -0.000000\n-0.000000 -0.000000 7.525282\nCe S\n2 4\ndirect\n0.500000 0.000000 0.743310 Ce\n0.000000 0.500000 0.256690 Ce\n0.500000 0.000000 0.365556 S\n0.000000 0.500000 0.634444 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"S"
],
"chemical_system": "Ce-S",
"density": 5.328996843955254,
"density_atomic": 0.04713723027376487,
"volume": 127.28792008255554,
"volume_molar": 12.775762863079672,
"formula_full": "Ce2 S4",
"formula_reduced": "CeS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1384085000000002,
"spacegroup": 129
},
{
"id": "jvasp-56330",
"created_at": "2022-09-04T14:37:30.156152Z",
"updated_at": "2022-09-04T14:37:30.156170Z",
"structure_string": "Zr4 Ga2\n1.0\n4.742842 0.000000 2.718254\n2.371421 4.726544 1.359127\n0.021148 0.000000 5.459913\nZr Ga\n4 2\ndirect\n0.346334 0.807331 0.500000 Zr\n0.153667 0.500000 0.192668 Zr\n0.653666 0.192668 0.499999 Zr\n0.846333 0.500000 0.807331 Zr\n0.250000 -0.000000 -0.000000 Ga\n0.750000 -0.000000 -0.000000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ga"
],
"chemical_system": "Ga-Zr",
"density": 6.857586816210218,
"density_atomic": 0.04913017725520738,
"volume": 122.12453394647687,
"volume_molar": 12.257518894584702,
"formula_full": "Zr4 Ga2",
"formula_reduced": "Zr2Ga",
"formula_anonymous": "AB2",
"energy_above_hull": 2.268673775000001,
"spacegroup": 140
}
]
}