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=1164",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1162",
"results": [
{
"id": "jvasp-2367",
"created_at": "2022-09-04T14:36:48.968890Z",
"updated_at": "2022-09-04T14:36:48.968899Z",
"structure_string": "Cd2 Si2 P4\n1.0\n5.169908 -0.000000 -2.470802\n-1.180847 5.033244 -2.470802\n0.012280 0.015495 6.669855\nCd Si P\n2 2 4\ndirect\n0.249999 0.749999 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Si\n0.750000 0.249999 0.500000 Si\n0.830188 0.874999 0.250000 P\n0.625000 0.169811 0.750000 P\n0.419811 0.374999 0.250000 P\n0.124999 0.580187 0.750000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Si",
"P"
],
"chemical_system": "Cd-P-Si",
"density": 3.8649817485892415,
"density_atomic": 0.04598893792563389,
"volume": 173.95487612556627,
"volume_molar": 13.094759373956544,
"formula_full": "Cd2 Si2 P4",
"formula_reduced": "CdSiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7402723375000002,
"spacegroup": 122
},
{
"id": "jvasp-8740",
"created_at": "2022-09-04T14:36:48.991222Z",
"updated_at": "2022-09-04T14:36:48.991248Z",
"structure_string": "Ce1 Cd2 Ag1\n1.0\n4.400414 -0.000000 2.540581\n1.466805 4.148750 2.540581\n-0.000000 -0.000000 5.081160\nCe Cd Ag\n1 2 1\ndirect\n0.499999 0.500000 0.500000 Ce\n0.250000 0.250000 0.250000 Cd\n0.749999 0.750000 0.750001 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Ce",
"density": 8.46366736613869,
"density_atomic": 0.04312075115962488,
"volume": 92.76276253149568,
"volume_molar": 13.965760331278023,
"formula_full": "Ce1 Cd2 Ag1",
"formula_reduced": "CeCd2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102773",
"created_at": "2022-09-04T14:36:48.992367Z",
"updated_at": "2022-09-04T14:36:48.992394Z",
"structure_string": "Cu4 I3 Cl1\n1.0\n3.967177 -0.000000 0.000000\n0.000000 5.569594 0.000000\n-0.000000 0.000000 7.915787\nCu I Cl\n4 3 1\ndirect\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.770485 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.229516 Cu\n0.500000 0.000000 0.240258 I\n-0.000000 0.500000 0.500000 I\n0.500000 0.000000 0.759742 I\n-0.000000 0.500000 -0.000000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"I",
"Cl"
],
"chemical_system": "Cl-Cu-I",
"density": 6.364316390797854,
"density_atomic": 0.04573943249746624,
"volume": 174.9037878955574,
"volume_molar": 13.166190377052885,
"formula_full": "Cu4 I3 Cl1",
"formula_reduced": "Cu4I3Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-8646",
"created_at": "2022-09-04T14:36:49.001987Z",
"updated_at": "2022-09-04T14:36:49.002004Z",
"structure_string": "Li1 Ni1 O2\n1.0\n2.722500 0.458712 -4.618162\n-0.212358 3.346488 -4.207823\n-0.115234 -0.458712 5.359678\nLi Ni O\n1 1 2\ndirect\n0.271329 0.771331 0.500002 Li\n0.007536 0.507537 0.500000 Ni\n0.384289 0.384291 0.000001 O\n0.629846 0.629844 1.000002 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 3.8518469776121407,
"density_atomic": 0.09503474102324638,
"volume": 42.089871103258574,
"volume_molar": 6.336778208851991,
"formula_full": "Li1 Ni1 O2",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.28671985,
"spacegroup": 44
},
{
"id": "jvasp-48356",
"created_at": "2022-09-04T14:36:49.014812Z",
"updated_at": "2022-09-04T14:36:49.014829Z",
"structure_string": "Cr4 Cu1 O12\n1.0\n6.665514 -0.044709 -0.064578\n-0.754266 6.622850 0.064578\n-1.448558 1.301703 5.406761\nCr Cu O\n4 1 12\ndirect\n0.199539 0.608319 0.761348 Cr\n0.390886 0.796031 0.271335 Cr\n0.608319 0.199539 0.738652 Cr\n0.796030 0.390887 0.228665 Cr\n0.918859 0.918860 0.250000 Cu\n0.778678 0.024439 0.879846 O\n0.654328 0.353711 0.454350 O\n0.625853 0.907450 0.312213 O\n0.629799 0.358120 0.947687 O\n0.353710 0.654329 0.045650 O\n0.358120 0.629800 0.552312 O\n0.907450 0.625854 0.187787 O\n0.216212 0.966306 0.192713 O\n0.090061 0.379488 0.806016 O\n0.024439 0.778678 0.620154 O\n0.379488 0.090061 0.693983 O\n0.966305 0.216213 0.307287 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-O",
"density": 3.242401884698804,
"density_atomic": 0.07161354803107732,
"volume": 237.38524996167908,
"volume_molar": 8.409219938923624,
"formula_full": "Cr4 Cu1 O12",
"formula_reduced": "Cr4CuO12",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.413198944117647,
"spacegroup": 5
},
{
"id": "jvasp-104730",
"created_at": "2022-09-04T14:36:49.028319Z",
"updated_at": "2022-09-04T14:36:49.028334Z",
"structure_string": "La1 Be1 Al3\n1.0\n4.005469 -0.016942 -4.682515\n-0.559203 3.966278 -4.682515\n0.014784 0.016942 6.161940\nLa Be Al\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500001 Be\n0.750000 0.250000 0.500001 Al\n0.620016 0.620016 0.000002 Al\n0.379985 0.379985 0.000001 Al\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Be",
"Al"
],
"chemical_system": "Al-Be-La",
"density": 3.859277904367848,
"density_atomic": 0.050775330952332345,
"volume": 98.47301644757329,
"volume_molar": 11.86036732218163,
"formula_full": "La1 Be1 Al3",
"formula_reduced": "LaBeAl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8039579,
"spacegroup": 119
},
{
"id": "jvasp-100988",
"created_at": "2022-09-04T14:36:49.028665Z",
"updated_at": "2022-09-04T14:36:49.028690Z",
"structure_string": "La1 Nd1 Ir2\n1.0\n4.375145 0.000000 2.525991\n1.458382 4.124926 2.525991\n-0.000000 -0.000000 5.051982\nLa Nd Ir\n1 1 2\ndirect\n0.499999 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Ir\n0.749999 0.750001 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Nd",
"Ir"
],
"chemical_system": "Ir-La-Nd",
"density": 12.158582997573497,
"density_atomic": 0.043872217291372,
"volume": 91.1738737396035,
"volume_molar": 13.726547532358994,
"formula_full": "La1 Nd1 Ir2",
"formula_reduced": "LaNdIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0078096749999994,
"spacegroup": 225
},
{
"id": "jvasp-101687",
"created_at": "2022-09-04T14:36:49.057924Z",
"updated_at": "2022-09-04T14:36:49.057940Z",
"structure_string": "Ti3 Se2 S4\n1.0\n3.452714 0.000000 0.000000\n-1.726357 2.990138 0.000000\n-0.000000 -0.000000 17.652119\nTi Se S\n3 2 4\ndirect\n0.666666 0.333334 0.009709 Ti\n0.666666 0.333334 0.330035 Ti\n0.666666 0.333334 0.670768 Ti\n0.333333 0.666667 0.578322 Se\n0.333333 0.666667 0.917089 Se\n0.000000 0.000000 0.086365 S\n0.000000 0.000000 0.409738 S\n0.000000 0.000000 0.747744 S\n0.333333 0.666667 0.250231 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Se",
"S"
],
"chemical_system": "S-Se-Ti",
"density": 3.9160445606494934,
"density_atomic": 0.04938485977121381,
"volume": 182.24208880402765,
"volume_molar": 12.19430567971416,
"formula_full": "Ti3 Se2 S4",
"formula_reduced": "Ti3(SeS2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.7226168592592592,
"spacegroup": 156
},
{
"id": "jvasp-35969",
"created_at": "2022-09-04T14:36:49.062200Z",
"updated_at": "2022-09-04T14:36:49.062224Z",
"structure_string": "Lu1 Co1 C2\n1.0\n-3.415581 0.000000 0.000000\n0.000000 -2.238234 -2.977740\n0.000000 -2.238234 2.977740\nLu Co C\n1 1 2\ndirect\n0.000000 0.002094 0.997904 Lu\n0.500000 0.383151 0.616847 Co\n0.500000 0.848025 0.458272 C\n0.500000 0.541726 0.151973 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Co",
"C"
],
"chemical_system": "C-Co-Lu",
"density": 9.406974248222886,
"density_atomic": 0.08785634730286228,
"volume": 45.52886755251756,
"volume_molar": 6.854531226116436,
"formula_full": "Lu1 Co1 C2",
"formula_reduced": "LuCoC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.0525091625,
"spacegroup": 38
},
{
"id": "jvasp-19299",
"created_at": "2022-09-04T14:36:49.093990Z",
"updated_at": "2022-09-04T14:36:49.094005Z",
"structure_string": "Mg6 Ni4 O14\n1.0\n5.205388 -0.000000 -0.000000\n0.000000 4.782486 -1.289998\n-0.000000 -0.119021 9.068937\nMg Ni O\n6 4 14\ndirect\n0.673419 0.777945 -0.000000 Mg\n0.173419 0.222056 -0.000000 Mg\n0.829724 0.564490 0.615197 Mg\n0.329724 0.435512 0.384803 Mg\n0.829724 0.949292 0.384803 Mg\n0.329724 0.050709 0.615197 Mg\n0.749446 0.355763 0.204505 Ni\n0.249445 0.644238 0.795495 Ni\n0.249445 0.848742 0.204505 Ni\n0.749446 0.151259 0.795495 Ni\n0.311415 0.609597 -0.000000 O\n0.811415 0.390404 -0.000000 O\n0.442549 0.136471 0.149605 O\n0.942549 0.863530 0.850395 O\n0.041878 0.583229 0.272667 O\n0.541878 0.416772 0.727334 O\n0.203988 0.069684 0.407593 O\n0.041878 0.310563 0.727334 O\n0.703988 0.337911 0.407593 O\n0.203988 0.662090 0.592407 O\n0.942549 0.013135 0.149605 O\n0.703988 0.930317 0.592407 O\n0.541878 0.689438 0.272667 O\n0.442549 0.986866 0.850395 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.462628359740159,
"density_atomic": 0.10668126833111652,
"volume": 224.96920382975745,
"volume_molar": 5.644984217199711,
"formula_full": "Mg6 Ni4 O14",
"formula_reduced": "Mg3Ni2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.5094505375000002,
"spacegroup": 36
},
{
"id": "jvasp-50383",
"created_at": "2022-09-04T14:36:49.096240Z",
"updated_at": "2022-09-04T14:36:49.096256Z",
"structure_string": "Li3 Nb6 O11\n1.0\n6.053855 -0.000000 0.000000\n-3.026927 5.243050 0.000426\n0.000000 0.000665 7.487536\nLi Nb O\n3 6 11\ndirect\n0.000008 -0.000000 0.500000 Li\n0.333373 0.666748 0.581394 Li\n0.666625 0.333252 0.418608 Li\n0.159102 0.840820 0.165870 Nb\n0.159096 0.318192 0.165874 Nb\n0.318281 0.159179 0.834131 Nb\n0.681717 0.840820 0.165872 Nb\n0.840902 0.681807 0.834127 Nb\n0.840896 0.159179 0.834129 Nb\n0.499999 0.000000 -0.000000 O\n0.666719 0.333439 0.679706 O\n0.681111 0.840624 0.682374 O\n0.499998 0.500000 0.000000 O\n0.159510 0.840625 0.682373 O\n0.159495 0.318991 0.682373 O\n0.333279 0.666560 0.320295 O\n-0.000000 0.500000 0.000000 O\n0.840502 0.681008 0.317628 O\n0.318884 0.159374 0.317628 O\n0.840488 0.159375 0.317628 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O",
"density": 5.270018947638009,
"density_atomic": 0.0841540576758787,
"volume": 237.65936607632707,
"volume_molar": 7.156090777220053,
"formula_full": "Li3 Nb6 O11",
"formula_reduced": "Li3Nb6O11",
"formula_anonymous": "A3B6C11",
"energy_above_hull": 3.770895745,
"spacegroup": 164
},
{
"id": "jvasp-103311",
"created_at": "2022-09-04T14:36:49.129281Z",
"updated_at": "2022-09-04T14:36:49.129308Z",
"structure_string": "Tb2 Ru1 Rh1\n1.0\n4.180509 0.000000 2.413619\n1.393503 3.941422 2.413619\n-0.000000 -0.000000 4.827236\nTb Ru Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750001 Tb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Ru",
"Rh"
],
"chemical_system": "Rh-Ru-Tb",
"density": 10.894174995681514,
"density_atomic": 0.05028973655269788,
"volume": 79.53909235154688,
"volume_molar": 11.974890251591368,
"formula_full": "Tb2 Ru1 Rh1",
"formula_reduced": "Tb2RuRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.398702575,
"spacegroup": 225
}
]
}