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=-nelements&page=984",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=982",
"results": [
{
"id": "jvasp-41413",
"created_at": "2022-09-04T14:38:02.639871Z",
"updated_at": "2022-09-04T14:38:02.639891Z",
"structure_string": "Tm1 Mg1 Cd2\n1.0\n0.000000 3.551685 3.551685\n3.551685 0.000000 3.551685\n3.551685 3.551685 0.000000\nTm Mg Cd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tm\n0.250001 0.250001 0.250001 Mg\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Tm",
"density": 7.747394156268828,
"density_atomic": 0.04464025557250394,
"volume": 89.60522176006069,
"volume_molar": 13.490381456752512,
"formula_full": "Tm1 Mg1 Cd2",
"formula_reduced": "TmMgCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-32345",
"created_at": "2022-09-04T14:38:02.654255Z",
"updated_at": "2022-09-04T14:38:02.654275Z",
"structure_string": "Mo2 Cl8 O2\n1.0\n6.125364 0.039840 -0.294651\n-2.287157 6.631173 -1.623753\n0.210404 -0.043494 6.919508\nMo Cl O\n2 8 2\ndirect\n0.076056 0.222769 0.271746 Mo\n0.923943 0.777232 0.728256 Mo\n0.634485 0.490858 0.729888 Cl\n0.175538 0.670392 0.889912 Cl\n0.824460 0.329608 0.110089 Cl\n0.365514 0.509142 0.270113 Cl\n0.810891 0.891835 0.147394 Cl\n0.342803 0.066256 0.315196 Cl\n0.189107 0.108164 0.852607 Cl\n0.657195 0.933744 0.684805 Cl\n0.999085 0.724852 0.496446 O\n0.000914 0.275148 0.503555 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O",
"density": 2.992376318334466,
"density_atomic": 0.04260984113300236,
"volume": 281.62508192751056,
"volume_molar": 14.133215707616673,
"formula_full": "Mo2 Cl8 O2",
"formula_reduced": "MoCl4O",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4373692783333332,
"spacegroup": 2
},
{
"id": "jvasp-16778",
"created_at": "2022-09-04T14:38:02.680171Z",
"updated_at": "2022-09-04T14:38:02.680198Z",
"structure_string": "Li2 Cd1 Sn1\n1.0\n4.106643 -0.000000 2.370972\n1.368881 3.871780 2.370972\n-0.000000 -0.000000 4.741942\nLi Cd Sn\n2 1 1\ndirect\n0.749999 0.750000 0.749999 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Sn"
],
"chemical_system": "Cd-Li-Sn",
"density": 5.3959341319469845,
"density_atomic": 0.053052533863671474,
"volume": 75.39696426713108,
"volume_molar": 11.351278292333841,
"formula_full": "Li2 Cd1 Sn1",
"formula_reduced": "Li2CdSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36701",
"created_at": "2022-09-04T14:38:02.607307Z",
"updated_at": "2022-09-04T14:38:02.607317Z",
"structure_string": "Ba4 Re4 N12\n1.0\n-3.212899 5.194850 -0.964306\n-6.054291 -5.186659 -0.097502\n-0.027330 0.038923 7.972648\nBa Re N\n4 4 12\ndirect\n0.750000 0.328142 0.671858 Ba\n0.250000 0.098923 0.901077 Ba\n0.250000 0.671858 0.328142 Ba\n0.750000 0.901077 0.098923 Ba\n0.238639 0.203667 0.370217 Re\n0.261360 0.629783 0.796333 Re\n0.738640 0.370217 0.203666 Re\n0.761360 0.796333 0.629783 Re\n0.016273 0.682154 0.640219 N\n0.820544 0.578711 0.144099 N\n0.179455 0.421289 0.855901 N\n0.320544 0.144099 0.578711 N\n0.679388 0.235057 0.018326 N\n0.516273 0.640219 0.682154 N\n0.820611 0.981674 0.764943 N\n0.483727 0.359781 0.317846 N\n0.983727 0.317847 0.359781 N\n0.320611 0.764944 0.981674 N\n0.679455 0.855901 0.421289 N\n0.179388 0.018326 0.235056 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Re",
"N"
],
"chemical_system": "Ba-N-Re",
"density": 6.323548629267384,
"density_atomic": 0.052087091844016144,
"volume": 383.9722912519954,
"volume_molar": 11.561675929296163,
"formula_full": "Ba4 Re4 N12",
"formula_reduced": "BaReN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.596794744,
"spacegroup": 15
},
{
"id": "jvasp-16373",
"created_at": "2022-09-04T14:38:02.610942Z",
"updated_at": "2022-09-04T14:38:02.610963Z",
"structure_string": "Al1 V1 Ni2\n1.0\n3.552954 -0.000000 2.051299\n1.184318 3.349757 2.051299\n-0.000000 -0.000000 4.102598\nAl V Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Ni\n0.749999 0.750001 0.750001 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"V",
"Ni"
],
"chemical_system": "Al-Ni-V",
"density": 6.642191102859376,
"density_atomic": 0.08192154594317916,
"volume": 48.82720356344841,
"volume_molar": 7.3511073194064975,
"formula_full": "Al1 V1 Ni2",
"formula_reduced": "AlVNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.92753545,
"spacegroup": 225
},
{
"id": "jvasp-37490",
"created_at": "2022-09-04T14:38:02.612240Z",
"updated_at": "2022-09-04T14:38:02.612257Z",
"structure_string": "Yb2 Ga1 Hg1\n1.0\n-0.000000 3.634133 3.634133\n3.634133 -0.000000 3.634133\n3.634133 3.634133 0.000000\nYb Ga Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Ga\n0.749999 0.749999 0.749999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Yb",
"density": 10.662875732104135,
"density_atomic": 0.04167038794230948,
"volume": 95.99142694658364,
"volume_molar": 14.451847120639593,
"formula_full": "Yb2 Ga1 Hg1",
"formula_reduced": "Yb2GaHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-14013",
"created_at": "2022-09-04T14:38:02.613449Z",
"updated_at": "2022-09-04T14:38:02.613462Z",
"structure_string": "Ti4 In2 C2\n1.0\n1.573524 -2.725425 -0.000000\n1.573524 2.725425 -0.000000\n0.000000 0.000000 14.135347\nTi In C\n4 2 2\ndirect\n0.333331 0.666666 0.921276 Ti\n0.333331 0.666666 0.578725 Ti\n0.666666 0.333331 0.421276 Ti\n0.666666 0.333331 0.078724 Ti\n0.333331 0.666666 0.250000 In\n0.666666 0.333331 0.750000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"In",
"C"
],
"chemical_system": "C-In-Ti",
"density": 6.096595734643778,
"density_atomic": 0.06598510475210481,
"volume": 121.23948321450248,
"volume_molar": 9.126515419842391,
"formula_full": "Ti4 In2 C2",
"formula_reduced": "Ti2InC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1170866591666675,
"spacegroup": 194
},
{
"id": "jvasp-10084",
"created_at": "2022-09-04T14:38:02.633026Z",
"updated_at": "2022-09-04T14:38:02.633052Z",
"structure_string": "Rb8 Sn2 O8\n1.0\n6.795586 0.005210 0.057453\n2.713946 6.258800 0.018033\n1.904665 2.674371 9.628678\nRb Sn O\n8 2 8\ndirect\n0.741868 0.591603 0.164130 Rb\n0.258134 0.408397 0.835870 Rb\n0.764714 0.239397 0.967196 Rb\n0.235288 0.760603 0.032804 Rb\n0.278798 0.508041 0.440947 Rb\n0.721204 0.491959 0.559052 Rb\n0.789768 0.030109 0.376942 Rb\n0.210234 0.969891 0.623058 Rb\n0.277185 0.156066 0.247622 Sn\n0.722817 0.843934 0.752377 Sn\n0.871200 0.839677 0.904768 O\n0.128801 0.160323 0.095232 O\n0.036158 0.303208 0.374252 O\n0.963844 0.696792 0.625748 O\n0.466589 0.336383 0.188675 O\n0.533413 0.663617 0.811325 O\n0.454166 0.850742 0.353149 O\n0.545836 0.149258 0.646851 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"O"
],
"chemical_system": "O-Rb-Sn",
"density": 4.261688513974637,
"density_atomic": 0.04403159125715647,
"volume": 408.7973994597448,
"volume_molar": 13.676863788158505,
"formula_full": "Rb8 Sn2 O8",
"formula_reduced": "Rb4SnO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 0.6466306333333331,
"spacegroup": 2
},
{
"id": "jvasp-16456",
"created_at": "2022-09-04T14:38:02.654055Z",
"updated_at": "2022-09-04T14:38:02.654081Z",
"structure_string": "Ba1 Sn3 Pd1\n1.0\n4.616811 -0.000000 -1.845137\n-0.737420 4.557538 -1.845137\n-0.020121 -0.023637 6.648203\nBa Sn Pd\n1 3 1\ndirect\n0.000220 0.000220 0.000440 Ba\n0.749434 0.249434 0.498866 Sn\n0.412850 0.412849 0.825697 Sn\n0.249434 0.749434 0.498866 Sn\n0.650064 0.650064 0.300128 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Pd"
],
"chemical_system": "Ba-Pd-Sn",
"density": 7.141455513018572,
"density_atomic": 0.035846390464660344,
"volume": 139.48405781411432,
"volume_molar": 16.799852598651487,
"formula_full": "Ba1 Sn3 Pd1",
"formula_reduced": "BaSn3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.437331354,
"spacegroup": 107
},
{
"id": "jvasp-46357",
"created_at": "2022-09-04T14:38:02.656878Z",
"updated_at": "2022-09-04T14:38:02.656889Z",
"structure_string": "Ta2 Fe2 O8\n1.0\n0.000000 4.673026 0.006553\n5.678883 0.000000 0.000000\n0.000000 -0.014900 -5.034771\nTa Fe O\n2 2 8\ndirect\n-0.000000 0.179650 0.750000 Ta\n-0.000000 0.820349 0.250000 Ta\n0.500000 0.667929 0.750000 Fe\n0.500000 0.332070 0.250000 Fe\n0.731467 0.383898 0.917516 O\n0.773980 0.113382 0.420828 O\n0.731467 0.616101 0.417516 O\n0.773980 0.886618 0.920828 O\n0.226021 0.113382 0.079172 O\n0.268534 0.383898 0.582484 O\n0.226021 0.886618 0.579172 O\n0.268534 0.616101 0.082485 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ta",
"density": 7.476599917996479,
"density_atomic": 0.08981362135119232,
"volume": 133.6100228391547,
"volume_molar": 6.70515303736837,
"formula_full": "Ta2 Fe2 O8",
"formula_reduced": "TaFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.27126645,
"spacegroup": 13
},
{
"id": "jvasp-55027",
"created_at": "2022-09-04T14:38:02.680565Z",
"updated_at": "2022-09-04T14:38:02.680574Z",
"structure_string": "Hf6 Al6 Pt6\n1.0\n3.551532 -6.151434 0.000000\n3.551532 6.151434 0.000000\n0.000000 0.000000 7.239342\nHf Al Pt\n6 6 6\ndirect\n0.412220 0.020233 0.750000 Hf\n0.391988 0.979767 0.250000 Hf\n0.608011 0.587780 0.750000 Hf\n0.020233 0.412220 0.250000 Hf\n0.587780 0.608011 0.250000 Hf\n0.979767 0.391988 0.750000 Hf\n0.740186 0.000000 0.500000 Al\n0.740186 0.000000 0.000000 Al\n0.000000 0.740186 0.500000 Al\n0.259813 0.259813 0.000000 Al\n0.259813 0.259813 0.500000 Al\n0.000000 0.740186 0.000000 Al\n0.333333 0.666667 0.526874 Pt\n0.666667 0.333333 0.473126 Pt\n0.000000 0.000000 0.750000 Pt\n0.666667 0.333333 0.026874 Pt\n0.333333 0.666667 0.973126 Pt\n0.000000 0.000000 0.250000 Pt\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Pt"
],
"chemical_system": "Al-Hf-Pt",
"density": 12.616587342416015,
"density_atomic": 0.056905116213355166,
"volume": 316.3160221395971,
"volume_molar": 10.582775610932947,
"formula_full": "Hf6 Al6 Pt6",
"formula_reduced": "HfAlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5448724,
"spacegroup": 190
},
{
"id": "jvasp-46993",
"created_at": "2022-09-04T14:38:02.686874Z",
"updated_at": "2022-09-04T14:38:02.686897Z",
"structure_string": "Na2 Ni1 O2\n1.0\n-2.869769 0.000849 -0.005107\n-0.001256 -4.557746 -0.007116\n1.426967 2.271372 4.749037\nNa Ni O\n2 1 2\ndirect\n0.320402 0.819015 0.646743 Na\n0.673040 0.171610 0.351958 Na\n0.996721 0.495303 0.999362 Ni\n0.628250 0.626838 0.262437 O\n0.365209 0.363807 0.736294 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 3.6583227292470735,
"density_atomic": 0.08059798851162966,
"volume": 62.036287658451165,
"volume_molar": 7.471825130140875,
"formula_full": "Na2 Ni1 O2",
"formula_reduced": "Na2NiO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6738554799999996,
"spacegroup": 71
}
]
}