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=-created_at&page=4595",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=4593",
"results": [
{
"id": "jvasp-71046",
"created_at": "2022-09-04T14:35:42.337997Z",
"updated_at": "2022-09-04T14:35:42.338025Z",
"structure_string": "Be1 Cu1 Rh2\n1.0\n2.735004 0.000000 0.000000\n0.000000 2.735004 0.000000\n0.000000 -0.000000 6.412399\nBe Cu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.502152 Be\n0.499999 0.499999 0.712140 Cu\n0.000000 0.000000 0.994397 Rh\n0.499999 0.499999 0.291312 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Rh"
],
"chemical_system": "Be-Cu-Rh",
"density": 9.636820758435354,
"density_atomic": 0.08339183337650223,
"volume": 47.966327613167714,
"volume_molar": 7.22149941566927,
"formula_full": "Be1 Cu1 Rh2",
"formula_reduced": "BeCuRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7561606375,
"spacegroup": 99
},
{
"id": "jvasp-65295",
"created_at": "2022-09-04T14:35:42.336032Z",
"updated_at": "2022-09-04T14:35:42.336043Z",
"structure_string": "Be1 Cu4 P1\n1.0\n0.000000 3.385969 3.385969\n3.385969 0.000000 3.385969\n3.385969 3.385969 0.000000\nBe Cu P\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123436 0.625522 0.625522 Cu\n0.625522 0.625522 0.625522 Cu\n0.625522 0.123436 0.625522 Cu\n0.625522 0.625522 0.123436 Cu\n0.250000 0.250000 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"P"
],
"chemical_system": "Be-Cu-P",
"density": 6.291706667475321,
"density_atomic": 0.07728092680724861,
"volume": 77.6388204422676,
"volume_molar": 7.792531752395015,
"formula_full": "Be1 Cu4 P1",
"formula_reduced": "BeCu4P",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6368622333333335,
"spacegroup": 216
},
{
"id": "jvasp-91832",
"created_at": "2022-09-04T14:35:42.331270Z",
"updated_at": "2022-09-04T14:35:42.331295Z",
"structure_string": "La1 Mg6 B1\n1.0\n7.370840 0.943031 0.000000\n-2.868731 4.968786 0.000000\n0.000000 0.000000 4.630736\nLa Mg B\n1 6 1\ndirect\n0.104264 0.302132 0.250000 La\n0.606771 0.305667 0.250000 Mg\n0.606771 0.801103 0.250000 Mg\n0.338371 0.157108 0.750001 Mg\n0.338372 0.681265 0.750001 Mg\n0.778586 0.139293 0.750001 Mg\n0.926330 0.713166 0.750001 Mg\n0.300536 0.900268 0.250000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"B"
],
"chemical_system": "B-La-Mg",
"density": 2.6946800797106003,
"density_atomic": 0.04392606752851616,
"volume": 182.12420209950542,
"volume_molar": 13.709719760573867,
"formula_full": "La1 Mg6 B1",
"formula_reduced": "LaMg6B",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2066702354166666,
"spacegroup": 38
},
{
"id": "jvasp-90491",
"created_at": "2022-09-04T14:35:42.328246Z",
"updated_at": "2022-09-04T14:35:42.328263Z",
"structure_string": "V2 Co1 O6\n1.0\n3.456419 -0.001380 0.000200\n-1.726531 4.425662 -1.526850\n-0.000625 -0.186532 6.669566\nV Co O\n2 1 6\ndirect\n0.790125 0.605374 0.336435 V\n0.184757 0.394622 0.663565 V\n0.987446 0.000000 0.000000 Co\n0.675005 0.375115 0.560355 O\n0.029035 0.083170 0.740345 O\n0.945854 0.916832 0.259655 O\n0.299885 0.624884 0.439646 O\n0.340930 0.706925 0.891988 O\n0.633959 0.293077 0.108014 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 4.221259245795265,
"density_atomic": 0.08908798119606998,
"volume": 101.02372821977276,
"volume_molar": 6.759767904882843,
"formula_full": "V2 Co1 O6",
"formula_reduced": "V2CoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2456611444444445,
"spacegroup": 12
},
{
"id": "jvasp-98405",
"created_at": "2022-09-04T14:35:42.325865Z",
"updated_at": "2022-09-04T14:35:42.325890Z",
"structure_string": "Cd24 N16\n1.0\n8.950036 0.000000 -3.164316\n-4.475017 7.750958 -3.164316\n-0.000000 -0.000000 9.492947\nCd N\n24 16\ndirect\n0.755455 0.030540 0.476978 Cd\n0.476978 0.755455 0.030540 Cd\n0.969460 0.523022 0.244545 Cd\n0.255455 0.778477 0.724914 Cd\n0.446438 0.469460 0.224914 Cd\n0.023022 0.053562 0.278476 Cd\n0.778477 0.724915 0.255454 Cd\n0.775086 0.553562 0.530540 Cd\n0.553562 0.530540 0.775086 Cd\n0.469460 0.224914 0.446438 Cd\n0.721524 0.976979 0.946438 Cd\n0.976979 0.946438 0.721523 Cd\n0.278477 0.023022 0.053562 Cd\n0.523022 0.244545 0.969460 Cd\n0.724915 0.255455 0.778476 Cd\n0.221524 0.275086 0.744545 Cd\n0.744546 0.221524 0.275085 Cd\n0.030540 0.476978 0.755455 Cd\n0.275086 0.744545 0.221523 Cd\n0.244545 0.969460 0.523021 Cd\n0.946438 0.721524 0.976978 Cd\n0.224914 0.446438 0.469460 Cd\n0.530540 0.775086 0.553562 Cd\n0.053562 0.278477 0.023022 Cd\n0.500000 0.500000 0.500000 N\n0.278533 0.528533 0.750000 N\n0.750000 0.778533 0.028532 N\n0.528533 0.750000 0.278532 N\n0.721468 0.471468 0.250000 N\n0.028533 0.750000 0.778533 N\n0.750000 0.278533 0.528532 N\n0.778533 0.028533 0.750000 N\n0.250000 0.721468 0.471467 N\n0.471468 0.250000 0.721467 N\n0.971468 0.250000 0.221467 N\n0.250000 0.221467 0.971468 N\n0.221467 0.971468 0.250000 N\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.500000 N\n-0.000000 0.500000 -0.000000 N\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Cd",
"N"
],
"chemical_system": "Cd-N",
"density": 7.367901420777007,
"density_atomic": 0.06074055689126113,
"volume": 658.5385786239784,
"volume_molar": 9.914530040909813,
"formula_full": "Cd24 N16",
"formula_reduced": "Cd3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0751931499999998,
"spacegroup": 206
},
{
"id": "jvasp-89016",
"created_at": "2022-09-04T14:35:42.323293Z",
"updated_at": "2022-09-04T14:35:42.323330Z",
"structure_string": "Ti4 Sn8 O16\n1.0\n5.980016 -0.000000 -0.000000\n-0.000000 8.573602 0.000000\n-0.000000 0.000000 8.573602\nTi Sn O\n4 8 16\ndirect\n0.250000 0.000000 0.500000 Ti\n0.750000 0.500000 0.000000 Ti\n0.750000 0.000000 0.500000 Ti\n0.250000 0.500000 0.000000 Ti\n0.000000 0.146456 0.161290 Sn\n0.500000 0.161290 0.853544 Sn\n0.000000 0.853544 0.838709 Sn\n0.000000 0.646456 0.338710 Sn\n0.000000 0.353544 0.661290 Sn\n0.500000 0.661290 0.646456 Sn\n0.500000 0.338710 0.353544 Sn\n0.500000 0.838709 0.146456 Sn\n0.250000 0.336538 0.836538 O\n0.750000 0.163462 0.336538 O\n0.500000 0.879856 0.402698 O\n0.750000 0.336538 0.836538 O\n0.250000 0.163462 0.336538 O\n0.250000 0.836538 0.663462 O\n0.750000 0.663462 0.163462 O\n0.000000 0.097302 0.620143 O\n0.500000 0.379856 0.097302 O\n0.500000 0.620143 0.902698 O\n0.000000 0.902698 0.379856 O\n0.000000 0.597302 0.879856 O\n0.000000 0.402698 0.120144 O\n0.500000 0.120144 0.597302 O\n0.250000 0.663462 0.163462 O\n0.750000 0.836538 0.663462 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti",
"density": 5.277880377307359,
"density_atomic": 0.06369847680172422,
"volume": 439.5709506077559,
"volume_molar": 9.454136209167547,
"formula_full": "Ti4 Sn8 O16",
"formula_reduced": "Ti(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.014005104761904,
"spacegroup": 135
},
{
"id": "jvasp-65530",
"created_at": "2022-09-04T14:35:42.318327Z",
"updated_at": "2022-09-04T14:35:42.318358Z",
"structure_string": "K1 Ba1 Cd2\n1.0\n4.202187 -0.000000 0.000000\n0.000000 4.202187 -0.000000\n-0.000000 -0.000000 8.555293\nK Ba Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.736642 Cd\n0.000000 0.000000 0.263358 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd-K",
"density": 4.410375662987993,
"density_atomic": 0.026477340090433555,
"volume": 151.07257701634566,
"volume_molar": 22.744508094209362,
"formula_full": "K1 Ba1 Cd2",
"formula_reduced": "KBaCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-95535",
"created_at": "2022-09-04T14:35:42.316394Z",
"updated_at": "2022-09-04T14:35:42.316421Z",
"structure_string": "Fe4 Sb8 O16\n1.0\n5.853244 0.000000 0.000000\n0.000000 8.595106 0.000003\n0.000000 -0.000003 8.595106\nFe Sb O\n4 8 16\ndirect\n0.784415 0.000000 0.500000 Fe\n0.715584 0.500000 -0.000000 Fe\n0.215585 0.000000 0.500000 Fe\n0.284415 0.500000 -0.000000 Fe\n0.500000 0.845331 0.826616 Sb\n0.000000 0.656941 0.683033 Sb\n0.500000 0.316968 0.656941 Sb\n0.500000 0.683033 0.343059 Sb\n0.500000 0.154669 0.173384 Sb\n0.000000 0.826616 0.154669 Sb\n0.000000 0.343059 0.316967 Sb\n0.000000 0.173384 0.845331 Sb\n0.757438 0.173792 0.330369 O\n0.500000 0.088040 0.644068 O\n0.742561 0.330370 0.826209 O\n0.257439 0.669631 0.173791 O\n0.500000 0.613556 0.847959 O\n0.257439 0.330370 0.826209 O\n0.242561 0.173792 0.330369 O\n0.000000 0.644069 0.911960 O\n0.000000 0.355932 0.088040 O\n0.242561 0.826209 0.669631 O\n0.757438 0.826209 0.669631 O\n0.000000 0.847959 0.386445 O\n0.000000 0.152042 0.613555 O\n0.500000 0.386445 0.152042 O\n0.500000 0.911961 0.355932 O\n0.742561 0.669631 0.173791 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-O-Sb",
"density": 5.581490765419339,
"density_atomic": 0.0647528560620378,
"volume": 432.41335908294184,
"volume_molar": 9.300193267506788,
"formula_full": "Fe4 Sb8 O16",
"formula_reduced": "Fe(SbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.465728814285714,
"spacegroup": 84
},
{
"id": "jvasp-86463",
"created_at": "2022-09-04T14:35:42.308039Z",
"updated_at": "2022-09-04T14:35:42.308069Z",
"structure_string": "Li2 Al2 Te4\n1.0\n5.741346 -0.000000 -2.712767\n-1.281773 5.596437 -2.712767\n0.015153 0.019015 7.463996\nLi Al Te\n2 2 4\ndirect\n0.750001 0.250001 0.500000 Li\n0.500001 0.500000 -0.000000 Li\n0.250000 0.750001 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.887926 0.875001 0.250000 Te\n0.625000 0.112076 0.750000 Te\n0.125000 0.637926 0.750001 Te\n0.362076 0.375000 0.250000 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Al",
"Te"
],
"chemical_system": "Al-Li-Te",
"density": 3.993861507661353,
"density_atomic": 0.03327529745672232,
"volume": 240.41858710368427,
"volume_molar": 18.097932160733844,
"formula_full": "Li2 Al2 Te4",
"formula_reduced": "LiAlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8558095833333333,
"spacegroup": 122
},
{
"id": "jvasp-64184",
"created_at": "2022-09-04T14:35:42.307663Z",
"updated_at": "2022-09-04T14:35:42.307713Z",
"structure_string": "Ba4 Cd1 Se1\n1.0\n0.000000 4.997938 4.997938\n4.997938 0.000000 4.997938\n4.997938 4.997938 0.000000\nBa Cd Se\n4 1 1\ndirect\n0.121166 0.626278 0.626278 Ba\n0.626278 0.626278 0.626278 Ba\n0.626278 0.121166 0.626278 Ba\n0.626278 0.626278 0.121166 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Se"
],
"chemical_system": "Ba-Cd-Se",
"density": 4.92579734481475,
"density_atomic": 0.024029717307465073,
"volume": 249.69082753778545,
"volume_molar": 25.06122183189047,
"formula_full": "Ba4 Cd1 Se1",
"formula_reduced": "Ba4CdSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0220804297222221,
"spacegroup": 216
},
{
"id": "jvasp-48694",
"created_at": "2022-09-04T14:35:42.307515Z",
"updated_at": "2022-09-04T14:35:42.307553Z",
"structure_string": "Li4 Fe4 O2 F8\n1.0\n2.860657 0.000000 0.000000\n-1.430329 4.863668 0.000000\n0.000000 0.000000 12.762734\nLi Fe O F\n4 4 2 8\ndirect\n0.225100 0.450200 0.888174 Li\n0.774901 0.549801 0.388175 Li\n0.488811 0.977620 0.992314 Li\n0.511190 0.022380 0.492314 Li\n0.037829 0.075658 0.257992 Fe\n0.249404 0.498807 0.616536 Fe\n0.962172 0.924343 0.757992 Fe\n0.750597 0.501193 0.116536 Fe\n0.675929 0.351856 0.254233 O\n0.324072 0.648145 0.754233 O\n0.127177 0.254353 0.028431 F\n0.151318 0.302638 0.465949 F\n0.421562 0.843124 0.143613 F\n0.420727 0.841453 0.352755 F\n0.578439 0.156877 0.643613 F\n0.872824 0.745647 0.528431 F\n0.579274 0.158548 0.852755 F\n0.848683 0.697363 0.965949 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.069065888321202,
"density_atomic": 0.10136757979078727,
"volume": 177.57156713369534,
"volume_molar": 5.9408942902939055,
"formula_full": "Li4 Fe4 O2 F8",
"formula_reduced": "Li2Fe2OF4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.0779439588888888,
"spacegroup": 36
},
{
"id": "jvasp-67397",
"created_at": "2022-09-04T14:35:42.307303Z",
"updated_at": "2022-09-04T14:35:42.307327Z",
"structure_string": "Li1 Be1 Sb1\n1.0\n-1.871548 1.871548 3.673718\n1.871548 -1.871548 3.673718\n1.871548 1.871548 -3.673718\nLi Be Sb\n1 1 1\ndirect\n0.324415 0.324415 0.000000 Li\n0.010233 0.010233 0.000000 Be\n0.665352 0.665352 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Be",
"Sb"
],
"chemical_system": "Be-Li-Sb",
"density": 4.442801022071302,
"density_atomic": 0.0582845579724487,
"volume": 51.47160936552199,
"volume_molar": 10.332309224763591,
"formula_full": "Li1 Be1 Sb1",
"formula_reduced": "LiBeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2519807333333333,
"spacegroup": 107
}
]
}