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=-energy_above_hull&page=3379",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3377",
"results": [
{
"id": "jvasp-78874",
"created_at": "2022-09-04T14:37:12.224979Z",
"updated_at": "2022-09-04T14:37:12.225002Z",
"structure_string": "Ga1 Ag1 O2\n1.0\n-2.920973 0.000000 0.766303\n-1.561004 2.585066 -0.000000\n-3.059114 -0.083416 -5.710451\nGa Ag O\n1 1 2\ndirect\n0.499998 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ag\n0.887519 0.887523 0.337435 O\n0.112478 0.112477 0.662565 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"O"
],
"chemical_system": "Ag-Ga-O",
"density": 7.062516625895141,
"density_atomic": 0.08117079871306601,
"volume": 49.27880547461118,
"volume_molar": 7.419097576319179,
"formula_full": "Ga1 Ag1 O2",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6804541462499999,
"spacegroup": 166
},
{
"id": "jvasp-3144",
"created_at": "2022-09-04T14:35:54.604809Z",
"updated_at": "2022-09-04T14:35:54.604830Z",
"structure_string": "Ga2 Ag2 O4\n1.0\n1.509936 -2.615286 0.000000\n1.509936 2.615286 0.000000\n0.000000 0.000000 12.480020\nGa Ag O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.333334 0.666669 0.250000 Ag\n0.666669 0.333334 0.750000 Ag\n0.666669 0.333334 0.581280 O\n0.333334 0.666669 0.081280 O\n0.666669 0.333334 0.918720 O\n0.333334 0.666669 0.418720 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"O"
],
"chemical_system": "Ag-Ga-O",
"density": 7.061982631446125,
"density_atomic": 0.08116466141693901,
"volume": 98.56506341971144,
"volume_molar": 7.419658574147865,
"formula_full": "Ga2 Ag2 O4",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6804141462499999,
"spacegroup": 194
},
{
"id": "jvasp-8671",
"created_at": "2022-09-04T14:37:06.763369Z",
"updated_at": "2022-09-04T14:37:06.763393Z",
"structure_string": "Li2 Mn1 Br4\n1.0\n3.850156 0.000000 0.000000\n0.000000 6.296051 -2.262298\n0.000000 0.003652 6.690160\nLi Mn Br\n2 1 4\ndirect\n0.500001 0.500000 -0.000000 Li\n0.500001 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500001 0.243805 0.243805 Br\n0.500001 0.756194 0.756195 Br\n0.000000 0.245094 0.754905 Br\n0.000000 0.754905 0.245094 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Br"
],
"chemical_system": "Br-Li-Mn",
"density": 3.976494414500693,
"density_atomic": 0.04315486831976876,
"volume": 162.206496567929,
"volume_molar": 13.95471935026465,
"formula_full": "Li2 Mn1 Br4",
"formula_reduced": "Li2MnBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6804033801970444,
"spacegroup": 65
},
{
"id": "jvasp-99909",
"created_at": "2022-09-04T14:36:31.628941Z",
"updated_at": "2022-09-04T14:36:31.628951Z",
"structure_string": "Tl1 Bi1 Se2\n1.0\n4.347477 0.000000 0.000000\n-0.000000 4.347477 -0.000000\n0.000000 0.000000 6.094413\nTl Bi Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Se"
],
"chemical_system": "Bi-Se-Tl",
"density": 8.235585161392823,
"density_atomic": 0.03472590105407465,
"volume": 115.18779581187138,
"volume_molar": 17.3419280053307,
"formula_full": "Tl1 Bi1 Se2",
"formula_reduced": "TlBiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6803434083333333,
"spacegroup": 123
},
{
"id": "jvasp-66556",
"created_at": "2022-09-04T14:36:18.881769Z",
"updated_at": "2022-09-04T14:36:18.881797Z",
"structure_string": "Ba2 Ge1 P1\n1.0\n0.000000 3.985280 3.985280\n3.985280 -0.000000 3.985280\n3.985280 3.985280 0.000000\nBa Ge P\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"P"
],
"chemical_system": "Ba-Ge-P",
"density": 4.961830366407404,
"density_atomic": 0.031597554860172246,
"volume": 126.5920739025879,
"volume_molar": 19.058882203542673,
"formula_full": "Ba2 Ge1 P1",
"formula_reduced": "Ba2GeP",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6802058475,
"spacegroup": 225
},
{
"id": "jvasp-62598",
"created_at": "2022-09-04T14:36:00.706227Z",
"updated_at": "2022-09-04T14:36:00.706248Z",
"structure_string": "Na6 B6 O6 F12\n1.0\n3.446562 5.898714 -0.020306\n-3.446562 5.898714 -0.020306\n0.000000 3.717398 8.568754\nNa B O F\n6 6 6 12\ndirect\n0.683691 0.131805 0.996892 Na\n0.868195 0.316309 0.503107 Na\n0.316308 0.868195 0.003107 Na\n0.131805 0.683691 0.496892 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 -0.000000 Na\n0.790695 0.209305 0.249999 B\n0.209305 0.790695 0.749999 B\n0.368930 0.420589 0.244231 B\n0.579411 0.631069 0.255768 B\n0.631070 0.579411 0.755768 B\n0.420589 0.368930 0.744231 B\n0.217612 0.580825 0.744113 O\n0.419175 0.782388 0.755885 O\n0.782388 0.419175 0.255886 O\n0.580825 0.217612 0.244113 O\n0.623340 0.376660 0.749999 O\n0.376660 0.623340 0.249999 O\n0.466168 0.282059 0.607761 F\n0.533832 0.717941 0.392238 F\n0.031584 0.875134 0.885710 F\n0.124866 0.968416 0.614288 F\n0.968416 0.124866 0.114288 F\n0.875134 0.031584 0.385710 F\n0.373501 0.195457 0.880006 F\n0.804543 0.626500 0.619993 F\n0.626499 0.804543 0.119993 F\n0.195457 0.373500 0.380006 F\n0.717941 0.533832 0.892238 F\n0.282058 0.466168 0.107761 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Na",
"B",
"O",
"F"
],
"chemical_system": "B-F-Na-O",
"density": 2.5069212306830013,
"density_atomic": 0.08597695087839886,
"volume": 348.9307272879492,
"volume_molar": 7.004366517390677,
"formula_full": "Na6 B6 O6 F12",
"formula_reduced": "NaBOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6800751296666667,
"spacegroup": 15
},
{
"id": "jvasp-66319",
"created_at": "2022-09-04T14:36:17.868363Z",
"updated_at": "2022-09-04T14:36:17.868390Z",
"structure_string": "Ba4 Sb1 P1\n1.0\n-0.000000 4.839436 4.839436\n4.839436 -0.000000 4.839436\n4.839436 4.839436 -0.000000\nBa Sb P\n4 1 1\ndirect\n0.125570 0.624810 0.624810 Ba\n0.624810 0.624810 0.624810 Ba\n0.624810 0.125570 0.624810 Ba\n0.624810 0.624810 0.125570 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"P"
],
"chemical_system": "Ba-P-Sb",
"density": 5.1427782307078465,
"density_atomic": 0.026468967594115145,
"volume": 226.68054500674904,
"volume_molar": 22.7517024930693,
"formula_full": "Ba4 Sb1 P1",
"formula_reduced": "Ba4SbP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.67999758,
"spacegroup": 216
},
{
"id": "jvasp-94758",
"created_at": "2022-09-04T14:36:01.571212Z",
"updated_at": "2022-09-04T14:36:01.571239Z",
"structure_string": "Mg6 Al1 W1\n1.0\n6.126880 0.161724 0.000000\n-2.923384 5.063449 0.000000\n0.000000 0.000000 4.935946\nMg Al W\n6 1 1\ndirect\n0.656574 0.328922 0.250000 Mg\n0.656574 0.827651 0.250000 Mg\n0.333072 0.155071 0.750001 Mg\n0.333072 0.678002 0.750001 Mg\n0.848776 0.174388 0.750001 Mg\n0.857874 0.678937 0.750001 Mg\n0.160833 0.330416 0.250000 Al\n0.153227 0.826613 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"W"
],
"chemical_system": "Al-Mg-W",
"density": 3.809503890494561,
"density_atomic": 0.05145945816425293,
"volume": 155.4621887868481,
"volume_molar": 11.702689796651162,
"formula_full": "Mg6 Al1 W1",
"formula_reduced": "Mg6AlW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6798408874999999,
"spacegroup": 38
},
{
"id": "jvasp-15401",
"created_at": "2022-09-04T14:36:15.501555Z",
"updated_at": "2022-09-04T14:36:15.501584Z",
"structure_string": "Y1 Cu2 Ge2\n1.0\n3.817885 0.000000 -1.392250\n-0.507705 3.783977 -1.392250\n-0.002170 -0.002481 5.924956\nY Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.249999 0.750001 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n0.619166 0.619168 0.238335 Ge\n0.380832 0.380833 0.761665 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Y",
"density": 7.01080367025555,
"density_atomic": 0.05843154591070819,
"volume": 85.57021591796868,
"volume_molar": 10.306317702432,
"formula_full": "Y1 Cu2 Ge2",
"formula_reduced": "Y(CuGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6797976499999998,
"spacegroup": 139
},
{
"id": "jvasp-88682",
"created_at": "2022-09-04T14:36:12.663097Z",
"updated_at": "2022-09-04T14:36:12.663128Z",
"structure_string": "Rb12 Na4 Pb4 O16\n1.0\n6.665532 0.000000 0.000000\n0.000000 10.246613 -4.115775\n0.000000 0.026834 11.172194\nRb Na Pb O\n12 4 4 16\ndirect\n0.620561 0.316966 0.892779 Rb\n0.679934 0.970254 0.330194 Rb\n0.179934 0.029745 0.169805 Rb\n0.879439 0.316966 0.392780 Rb\n0.887135 0.540765 0.185585 Rb\n0.112865 0.459234 0.814414 Rb\n0.820066 0.970254 0.830193 Rb\n0.612865 0.540765 0.685585 Rb\n0.120561 0.683033 0.607219 Rb\n0.379439 0.683033 0.107220 Rb\n0.320066 0.029745 0.669805 Rb\n0.387135 0.459234 0.314414 Rb\n0.619816 0.125378 0.109550 Na\n0.880184 0.125378 0.609549 Na\n0.119816 0.874622 0.390450 Na\n0.380184 0.874622 0.890449 Na\n0.853715 0.758947 0.009163 Pb\n0.146285 0.241052 0.990836 Pb\n0.353715 0.241052 0.490837 Pb\n0.646285 0.758947 0.509162 Pb\n0.991823 0.793857 0.188838 O\n0.617670 0.896823 0.049478 O\n0.075206 0.773823 0.880642 O\n0.508177 0.793857 0.688838 O\n0.424793 0.773823 0.380641 O\n0.882330 0.896822 0.549478 O\n0.382330 0.103177 0.950521 O\n0.735810 0.568535 0.942311 O\n0.924793 0.226176 0.119357 O\n0.575206 0.226176 0.619357 O\n0.008177 0.206142 0.811161 O\n0.117670 0.103177 0.450521 O\n0.235810 0.431465 0.557688 O\n0.264189 0.431465 0.057688 O\n0.764189 0.568535 0.442311 O\n0.491823 0.206142 0.311161 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Pb",
"O"
],
"chemical_system": "Na-O-Pb-Rb",
"density": 4.788126414489898,
"density_atomic": 0.047133543780916276,
"volume": 763.787254515242,
"volume_molar": 12.776762103846481,
"formula_full": "Rb12 Na4 Pb4 O16",
"formula_reduced": "Rb3NaPbO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6797893133333333,
"spacegroup": 14
},
{
"id": "jvasp-7661",
"created_at": "2022-09-04T14:36:44.438299Z",
"updated_at": "2022-09-04T14:36:44.438307Z",
"structure_string": "Ba1 Li1 P1\n1.0\n2.203980 -3.817406 -0.000000\n2.203980 3.817406 0.000000\n0.000000 -0.000000 4.516278\nBa Li P\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.500000 Li\n0.666667 0.333333 0.500000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Li",
"P"
],
"chemical_system": "Ba-Li-P",
"density": 3.8291294173837773,
"density_atomic": 0.039476131861269664,
"volume": 75.99528774862875,
"volume_molar": 15.255143997298196,
"formula_full": "Ba1 Li1 P1",
"formula_reduced": "BaLiP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.67973049,
"spacegroup": 187
},
{
"id": "jvasp-11200",
"created_at": "2022-09-04T14:37:09.275521Z",
"updated_at": "2022-09-04T14:37:09.275541Z",
"structure_string": "Na4 Pt2 Se4\n1.0\n3.737554 0.000000 0.000000\n-1.868777 5.365286 0.000000\n0.000000 0.000000 11.293748\nNa Pt Se\n4 2 4\ndirect\n0.438337 0.876674 0.868214 Na\n0.561662 0.123326 0.368214 Na\n0.827091 0.654186 0.598104 Na\n0.172907 0.345815 0.098104 Na\n0.138069 0.276138 0.751936 Pt\n0.861930 0.723863 0.251936 Pt\n0.552153 0.104307 0.628660 Se\n0.447846 0.895694 0.128660 Se\n0.723585 0.447173 0.875385 Se\n0.276414 0.552828 0.375385 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Pt",
"Se"
],
"chemical_system": "Na-Pt-Se",
"density": 5.8508050095095046,
"density_atomic": 0.04415516924071919,
"volume": 226.47404985548465,
"volume_molar": 13.638586067169863,
"formula_full": "Na4 Pt2 Se4",
"formula_reduced": "Na2PtSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6794632266666666,
"spacegroup": 36
}
]
}