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=631",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=629",
"results": [
{
"id": "jvasp-92575",
"created_at": "2022-09-04T14:36:00.810600Z",
"updated_at": "2022-09-04T14:36:00.810620Z",
"structure_string": "Th1 Si3 Ir1\n1.0\n4.311957 0.000000 0.000000\n0.000000 4.311957 0.000000\n-2.155979 -2.155979 4.879762\nTh Si Ir\n1 3 1\ndirect\n0.000316 0.000316 0.000630 Th\n0.410243 0.410243 0.820485 Si\n0.764132 0.264132 0.528264 Si\n0.264132 0.764132 0.528264 Si\n0.655179 0.655179 0.310356 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Th",
"density": 9.306844212994111,
"density_atomic": 0.05510899880172896,
"volume": 90.72928394124868,
"volume_molar": 10.927690378964144,
"formula_full": "Th1 Si3 Ir1",
"formula_reduced": "ThSi3Ir",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.5554364999999994,
"spacegroup": 107
},
{
"id": "jvasp-92699",
"created_at": "2022-09-04T14:36:01.648439Z",
"updated_at": "2022-09-04T14:36:01.648460Z",
"structure_string": "La1 Si3 Rh1\n1.0\n4.315206 -0.000000 0.000000\n-0.000000 4.315206 0.000000\n-2.157604 -2.157604 4.951396\nLa Si Rh\n1 3 1\ndirect\n0.999837 0.999837 0.999671 La\n0.412384 0.412384 0.824766 Si\n0.761483 0.261483 0.522964 Si\n0.261483 0.761483 0.522964 Si\n0.654820 0.654820 0.309639 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Si",
"Rh"
],
"chemical_system": "La-Rh-Si",
"density": 5.87253810950762,
"density_atomic": 0.054229959103465085,
"volume": 92.1999588909983,
"volume_molar": 11.104822610156107,
"formula_full": "La1 Si3 Rh1",
"formula_reduced": "LaSi3Rh",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.86337876,
"spacegroup": 107
},
{
"id": "jvasp-3174",
"created_at": "2022-09-04T14:36:06.485101Z",
"updated_at": "2022-09-04T14:36:06.485125Z",
"structure_string": "Ca3 P1 N1\n1.0\n4.700809 0.000000 0.000000\n0.000000 4.700809 0.000000\n0.000000 0.000000 4.700809\nCa P N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"P",
"N"
],
"chemical_system": "Ca-N-P",
"density": 2.641066528132448,
"density_atomic": 0.04813402592575245,
"volume": 103.87662165871154,
"volume_molar": 12.51119274604051,
"formula_full": "Ca3 P1 N1",
"formula_reduced": "Ca3PN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.209072002,
"spacegroup": 221
},
{
"id": "jvasp-22710",
"created_at": "2022-09-04T14:36:07.527104Z",
"updated_at": "2022-09-04T14:36:07.527124Z",
"structure_string": "Li2 Ni2 F6\n1.0\n2.540631 1.354005 -4.186754\n-2.540601 1.353728 -4.186824\n-2.540349 4.856585 0.029599\nLi Ni F\n2 2 6\ndirect\n0.293171 0.413680 0.879513 Li\n0.706828 0.586319 0.120488 Li\n0.000000 0.000001 -0.000002 Ni\n0.500000 0.000000 0.500002 Ni\n0.886603 0.844974 0.766065 F\n0.611037 0.502332 0.766067 F\n0.268382 0.120555 0.766048 F\n0.731616 0.879443 0.233955 F\n0.388963 0.497665 0.233936 F\n0.113396 0.155025 0.233937 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Ni",
"F"
],
"chemical_system": "F-Li-Ni",
"density": 3.9339144800865724,
"density_atomic": 0.09659407227318824,
"volume": 103.52602146970166,
"volume_molar": 6.2344827361332555,
"formula_full": "Li2 Ni2 F6",
"formula_reduced": "LiNiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.026074,
"spacegroup": 148
},
{
"id": "jvasp-105942",
"created_at": "2022-09-04T14:36:04.306509Z",
"updated_at": "2022-09-04T14:36:04.306532Z",
"structure_string": "Mn1 Co3 C1\n1.0\n3.748234 0.000000 0.000000\n-0.000000 3.748234 0.000000\n-0.000000 -0.000000 3.748234\nMn Co C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Co",
"C"
],
"chemical_system": "C-Co-Mn",
"density": 7.68618191303613,
"density_atomic": 0.09494889545143868,
"volume": 52.65990695549728,
"volume_molar": 6.342507441890153,
"formula_full": "Mn1 Co3 C1",
"formula_reduced": "MnCo3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.303305988275862,
"spacegroup": 221
},
{
"id": "jvasp-17349",
"created_at": "2022-09-04T14:36:00.408270Z",
"updated_at": "2022-09-04T14:36:00.408296Z",
"structure_string": "Al1 Ag1 O3\n1.0\n3.975340 -0.000000 0.000000\n0.000000 3.975340 0.000000\n-0.000000 -0.000000 3.975340\nAl Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Ag",
"O"
],
"chemical_system": "Ag-Al-O",
"density": 4.832994825774907,
"density_atomic": 0.0795879225275177,
"volume": 62.82360239106931,
"volume_molar": 7.566651532985839,
"formula_full": "Al1 Ag1 O3",
"formula_reduced": "AlAgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.827812112,
"spacegroup": 221
},
{
"id": "jvasp-87193",
"created_at": "2022-09-04T14:36:01.269319Z",
"updated_at": "2022-09-04T14:36:01.269346Z",
"structure_string": "Sm4 Fe4 O12\n1.0\n5.327331 -0.000000 0.000000\n0.000000 5.566075 0.000000\n0.000000 0.000000 7.590600\nSm Fe O\n4 4 12\ndirect\n0.514623 0.561811 0.250000 Sm\n0.985378 0.061812 0.250000 Sm\n0.485377 0.438188 0.750000 Sm\n0.014623 0.938188 0.750000 Sm\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.499999 Fe\n0.000000 0.500000 0.499999 Fe\n0.416610 0.981993 0.250000 O\n0.916610 0.518005 0.750000 O\n0.703589 0.295772 0.456087 O\n0.703589 0.295772 0.043914 O\n0.203591 0.204227 0.956086 O\n0.796409 0.795772 0.456087 O\n0.296410 0.704227 0.543913 O\n0.296410 0.704227 0.956086 O\n0.796409 0.795772 0.043914 O\n0.203591 0.204227 0.543913 O\n0.083391 0.481994 0.250000 O\n0.583389 0.018006 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sm",
"density": 7.501623450902076,
"density_atomic": 0.08885771769486192,
"volume": 225.07892976364926,
"volume_molar": 6.777284985734247,
"formula_full": "Sm4 Fe4 O12",
"formula_reduced": "SmFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.076586975,
"spacegroup": 62
},
{
"id": "jvasp-97511",
"created_at": "2022-09-04T14:36:06.288554Z",
"updated_at": "2022-09-04T14:36:06.288581Z",
"structure_string": "K4 Cu4 Cl12\n1.0\n3.907584 0.702752 0.000000\n0.466859 10.402268 0.000000\n0.000000 0.000000 12.299793\nK Cu Cl\n4 4 12\ndirect\n0.509399 0.491220 0.167366 K\n0.490600 0.008780 0.667365 K\n0.490600 0.508780 0.832634 K\n0.509399 -0.008781 0.332634 K\n0.776659 0.362596 0.551703 Cu\n0.776659 0.862596 0.948297 Cu\n0.223340 0.137404 0.051703 Cu\n0.223340 0.637404 0.448297 Cu\n0.633766 0.586668 0.587360 Cl\n-0.113668 0.178096 0.202845 Cl\n0.895703 0.649860 -0.002757 Cl\n0.366233 0.913333 0.087360 Cl\n0.113668 0.821904 0.797154 Cl\n0.366233 0.413333 0.412640 Cl\n0.895703 0.149859 0.502757 Cl\n0.113668 0.321904 0.702845 Cl\n-0.113668 0.678096 0.297154 Cl\n0.633766 0.086667 0.912639 Cl\n0.104296 0.850141 0.497243 Cl\n0.104296 0.350140 0.002757 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K",
"density": 2.7992886105245955,
"density_atomic": 0.04032881310072519,
"volume": 495.92334765836097,
"volume_molar": 14.932601028845333,
"formula_full": "K4 Cu4 Cl12",
"formula_reduced": "KCuCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-48270",
"created_at": "2022-09-04T14:36:06.732879Z",
"updated_at": "2022-09-04T14:36:06.732907Z",
"structure_string": "Li2 Fe2 O6\n1.0\n2.801279 0.000600 -0.000317\n-0.001243 5.853076 0.075302\n-1.399682 -1.401348 6.073763\nLi Fe O\n2 2 6\ndirect\n0.333332 0.166669 0.666669 Li\n0.333330 0.666669 0.666663 Li\n0.001666 0.982467 0.003323 Fe\n0.665006 0.350864 0.330010 Fe\n0.808087 0.407235 0.616160 O\n0.160421 0.120167 0.320825 O\n0.858580 0.926102 0.717173 O\n0.155453 0.542826 0.310914 O\n0.506252 0.213164 0.012510 O\n0.511215 0.790505 0.022415 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.6836883748292855,
"density_atomic": 0.10012118116511112,
"volume": 99.87896550589902,
"volume_molar": 6.014851892397085,
"formula_full": "Li2 Fe2 O6",
"formula_reduced": "LiFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1160732,
"spacegroup": 12
},
{
"id": "jvasp-97686",
"created_at": "2022-09-04T14:36:05.991139Z",
"updated_at": "2022-09-04T14:36:05.991153Z",
"structure_string": "Yb4 Cr4 Sb12\n1.0\n6.066378 0.000000 0.000000\n0.000000 6.186100 0.000000\n0.000000 0.000000 13.058506\nYb Cr Sb\n4 4 12\ndirect\n0.750000 0.995715 0.691039 Yb\n0.750000 0.495715 0.308962 Yb\n0.250000 0.504285 0.691039 Yb\n0.250000 0.004285 0.308962 Yb\n0.500000 0.750000 0.095881 Cr\n0.000000 0.750000 0.095881 Cr\n0.500000 0.250000 0.904119 Cr\n0.000000 0.250000 0.904119 Cr\n0.500000 0.250000 0.502878 Sb\n0.000000 0.250000 0.502878 Sb\n0.500000 0.750000 0.497122 Sb\n0.750000 0.892949 0.935348 Sb\n0.750000 0.392949 0.064652 Sb\n0.250000 0.607051 0.935348 Sb\n0.750000 0.499979 0.781957 Sb\n0.250000 0.500021 0.218043 Sb\n0.750000 -0.000021 0.218043 Sb\n0.250000 0.000021 0.781957 Sb\n0.000000 0.750000 0.497122 Sb\n0.250000 0.107051 0.064652 Sb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"Cr",
"Sb"
],
"chemical_system": "Cr-Sb-Yb",
"density": 8.001175929717428,
"density_atomic": 0.040812208671704577,
"volume": 490.049439884055,
"volume_molar": 14.755733531704687,
"formula_full": "Yb4 Cr4 Sb12",
"formula_reduced": "YbCrSb3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.81277328,
"spacegroup": 57
},
{
"id": "jvasp-51043",
"created_at": "2022-09-04T14:36:06.814758Z",
"updated_at": "2022-09-04T14:36:06.814778Z",
"structure_string": "Mn3 Ga1 N1\n1.0\n3.774850 0.000035 -0.000005\n0.000031 3.774887 0.000014\n-0.000004 0.000015 3.774974\nMn Ga N\n3 1 1\ndirect\n0.500005 0.499983 0.000002 Mn\n0.499982 -0.000002 0.499997 Mn\n0.000015 0.500024 0.499997 Mn\n-0.000008 0.000013 0.999998 Ga\n0.500009 0.499989 0.500002 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"N"
],
"chemical_system": "Ga-Mn-N",
"density": 7.672457179656551,
"density_atomic": 0.09295064012939945,
"volume": 53.79199102921019,
"volume_molar": 6.478858834771221,
"formula_full": "Mn3 Ga1 N1",
"formula_reduced": "Mn3GaN",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.648393459827585,
"spacegroup": 221
},
{
"id": "jvasp-42784",
"created_at": "2022-09-04T14:36:00.337816Z",
"updated_at": "2022-09-04T14:36:00.337841Z",
"structure_string": "Ti2 Ni2 O6\n1.0\n5.024895 0.000000 -0.000000\n-2.512447 1.450562 4.636131\n2.512447 -4.351686 0.000000\nTi Ni O\n2 2 6\ndirect\n0.148786 0.446360 0.148787 Ti\n0.648785 0.946361 0.648788 Ti\n0.353342 0.060028 0.353343 Ni\n0.853341 0.560028 0.853343 Ni\n0.054342 0.259171 0.432795 O\n0.554341 0.759169 0.272032 O\n0.272030 0.759169 0.932798 O\n0.772031 0.259171 0.054342 O\n0.432794 0.259171 0.772033 O\n0.932796 0.759169 0.554343 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Ni",
"O"
],
"chemical_system": "Ni-O-Ti",
"density": 5.063280963669563,
"density_atomic": 0.09864152069565804,
"volume": 101.37718811993311,
"volume_molar": 6.105076967112369,
"formula_full": "Ti2 Ni2 O6",
"formula_reduced": "TiNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1250802466666667,
"spacegroup": 161
}
]
}