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=303",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=301",
"results": [
{
"id": "jvasp-35395",
"created_at": "2022-09-04T14:37:56.363035Z",
"updated_at": "2022-09-04T14:37:56.363060Z",
"structure_string": "Ta4 C3\n1.0\n4.447647 -0.000000 0.000000\n0.000000 4.447647 -0.000000\n-0.000000 0.000000 4.447647\nTa C\n4 3\ndirect\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 14.340719942432282,
"density_atomic": 0.07956225931228325,
"volume": 87.9814130532025,
"volume_molar": 7.569092195286955,
"formula_full": "Ta4 C3",
"formula_reduced": "Ta4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 7.258275257142856,
"spacegroup": 221
},
{
"id": "jvasp-9113",
"created_at": "2022-09-04T14:37:42.685133Z",
"updated_at": "2022-09-04T14:37:42.685156Z",
"structure_string": "Si6 N8\n1.0\n4.776644 0.000000 2.757796\n1.592215 4.503463 2.757796\n-0.000000 -0.000000 5.515594\nSi N\n6 8\ndirect\n0.500000 0.000000 0.500000 Si\n0.000001 0.500000 0.500000 Si\n0.500000 0.500000 0.000001 Si\n0.500000 0.500000 0.500000 Si\n0.125000 0.125000 0.125000 Si\n0.875000 0.874999 0.875001 Si\n0.742564 0.742563 0.742564 N\n0.257437 0.257436 0.727689 N\n0.257437 0.727689 0.257437 N\n0.727689 0.257436 0.257437 N\n0.742563 0.272311 0.742564 N\n0.272311 0.742563 0.742563 N\n0.257437 0.257436 0.257437 N\n0.742564 0.742563 0.272312 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Si",
"N"
],
"chemical_system": "N-Si",
"density": 3.9266600366504467,
"density_atomic": 0.1179957245508434,
"volume": 118.64836673779239,
"volume_molar": 5.103694038850628,
"formula_full": "Si6 N8",
"formula_reduced": "Si3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.742816971428571,
"spacegroup": 227
},
{
"id": "jvasp-59660",
"created_at": "2022-09-04T14:37:42.193629Z",
"updated_at": "2022-09-04T14:37:42.193646Z",
"structure_string": "Co6 Se8\n1.0\n6.037352 0.000000 3.485666\n2.012451 5.692070 3.485666\n-0.000000 -0.000000 6.971333\nCo Se\n6 8\ndirect\n0.125000 0.125000 0.125000 Co\n0.875000 0.875000 0.875001 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000001 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.257252 0.257253 0.257253 Se\n0.742747 0.742748 0.271758 Se\n0.271757 0.742748 0.742748 Se\n0.742747 0.271757 0.742748 Se\n0.728242 0.257253 0.257253 Se\n0.257252 0.728243 0.257253 Se\n0.257252 0.257253 0.728243 Se\n0.742747 0.742748 0.742748 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Co",
"Se"
],
"chemical_system": "Co-Se",
"density": 6.829294492609193,
"density_atomic": 0.05843801796426604,
"volume": 239.57006906977557,
"volume_molar": 10.30517627015079,
"formula_full": "Co6 Se8",
"formula_reduced": "Co3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.4702723095238097,
"spacegroup": 227
},
{
"id": "jvasp-59675",
"created_at": "2022-09-04T14:37:50.095058Z",
"updated_at": "2022-09-04T14:37:50.095078Z",
"structure_string": "Ce8 Sb6\n1.0\n7.684149 -0.000000 -2.716757\n-3.842074 6.654668 -2.716757\n0.000000 0.000000 8.150270\nCe Sb\n8 6\ndirect\n0.147081 0.147081 0.147081 Ce\n0.852920 0.500000 1.000000 Ce\n1.000001 0.852919 0.500000 Ce\n0.500000 -0.000000 0.852919 Ce\n1.000000 0.352919 0.500000 Ce\n0.500000 -0.000000 0.352919 Ce\n0.352920 0.500000 1.000000 Ce\n0.647081 0.647081 0.647081 Ce\n0.250000 0.625000 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.125001 0.750000 0.875000 Sb\n0.875000 0.125000 0.750000 Sb\n0.625000 0.375000 0.250000 Sb\n0.750001 0.875000 0.125000 Sb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ce",
"Sb"
],
"chemical_system": "Ce-Sb",
"density": 7.376932878960299,
"density_atomic": 0.03359184583714967,
"volume": 416.76780930320933,
"volume_molar": 17.927388656148317,
"formula_full": "Ce8 Sb6",
"formula_reduced": "Ce4Sb3",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.077231471428572,
"spacegroup": 220
},
{
"id": "jvasp-35378",
"created_at": "2022-09-04T14:37:43.012489Z",
"updated_at": "2022-09-04T14:37:43.012516Z",
"structure_string": "Ti3 B4\n1.0\n3.038391 0.000000 0.000000\n-0.000000 3.271078 0.000000\n-1.519195 -1.635539 6.873804\nTi B\n3 4\ndirect\n0.685618 0.185618 0.371238 Ti\n0.314380 0.814382 0.628762 Ti\n0.000000 0.000000 0.000000 Ti\n0.868701 0.368703 0.737405 B\n0.131297 0.631297 0.262594 B\n0.435615 0.435616 0.871234 B\n0.564383 0.564384 0.128766 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 4.541495334922812,
"density_atomic": 0.10246282707093018,
"volume": 68.31745912255798,
"volume_molar": 5.8773907885941465,
"formula_full": "Ti3 B4",
"formula_reduced": "Ti3B4",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.658945047619048,
"spacegroup": 71
},
{
"id": "jvasp-17311",
"created_at": "2022-09-04T14:37:56.697533Z",
"updated_at": "2022-09-04T14:37:56.697543Z",
"structure_string": "Ti3 Te4\n1.0\n3.708767 -0.000000 -0.991002\n-0.861028 6.186465 -3.222345\n0.012356 -0.049652 7.481664\nTi Te\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.752149 0.706673 0.504296 Ti\n0.247853 0.293328 0.495704 Ti\n0.633717 0.960245 0.267433 Te\n0.366285 0.039757 0.732567 Te\n0.108681 0.450623 0.217361 Te\n0.891321 0.549378 0.782639 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.347114019189472,
"density_atomic": 0.04091163444639415,
"volume": 171.10047287824653,
"volume_molar": 14.719873311076613,
"formula_full": "Ti3 Te4",
"formula_reduced": "Ti3Te4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.361876580952381,
"spacegroup": 12
},
{
"id": "jvasp-23899",
"created_at": "2022-09-04T14:37:41.572904Z",
"updated_at": "2022-09-04T14:37:41.572926Z",
"structure_string": "Pr8 Bi6\n1.0\n7.960950 0.000000 -2.814620\n-3.980475 6.894384 -2.814620\n-0.000000 -0.000000 8.443862\nPr Bi\n8 6\ndirect\n0.142701 0.142701 0.142701 Pr\n0.857299 0.500000 0.000000 Pr\n0.000000 0.857298 0.500000 Pr\n0.500000 0.000000 0.857299 Pr\n0.000000 0.357299 0.500000 Pr\n0.500000 0.000000 0.357299 Pr\n0.357299 0.500000 -0.000000 Pr\n0.642701 0.642701 0.642701 Pr\n0.250000 0.625000 0.375000 Bi\n0.375000 0.250000 0.625000 Bi\n0.125000 0.750000 0.875000 Bi\n0.875000 0.125000 0.750000 Bi\n0.625000 0.375000 0.250000 Bi\n0.750000 0.874999 0.125000 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pr",
"Bi"
],
"chemical_system": "Bi-Pr",
"density": 8.5316531805007,
"density_atomic": 0.030208317944673838,
"volume": 463.44851195094105,
"volume_molar": 19.93537267129364,
"formula_full": "Pr8 Bi6",
"formula_reduced": "Pr4Bi3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.418846042857143,
"spacegroup": 220
},
{
"id": "jvasp-20172",
"created_at": "2022-09-04T14:37:37.237834Z",
"updated_at": "2022-09-04T14:37:37.237844Z",
"structure_string": "Pt6 O8\n1.0\n5.641987 -0.000000 0.000000\n-0.000000 5.641987 0.000000\n0.000000 -0.000000 5.641987\nPt O\n6 8\ndirect\n0.500000 0.250000 0.000000 Pt\n0.500000 0.750000 0.000000 Pt\n0.000000 0.500000 0.750000 Pt\n0.000000 0.500000 0.250000 Pt\n0.750000 0.000000 0.500000 Pt\n0.250000 0.000000 0.500000 Pt\n0.750000 0.250000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.750000 0.750000 O\n0.750000 0.750000 0.250000 O\n0.250000 0.250000 0.250000 O\n0.750000 0.250000 0.750000 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pt",
"O"
],
"chemical_system": "O-Pt",
"density": 12.00589498945508,
"density_atomic": 0.07795281309512408,
"volume": 179.5958278364645,
"volume_molar": 7.725366822427969,
"formula_full": "Pt6 O8",
"formula_reduced": "Pt3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.7720840285714283,
"spacegroup": 223
},
{
"id": "jvasp-29575",
"created_at": "2022-09-04T14:37:34.769531Z",
"updated_at": "2022-09-04T14:37:34.769551Z",
"structure_string": "Fe3 Se4\n1.0\n3.527199 -0.000000 0.000000\n-1.763599 3.054130 -0.040908\n0.000000 0.151125 11.123281\nFe Se\n3 4\ndirect\n0.000067 0.000132 0.237206 Fe\n-0.000000 -0.000001 0.500000 Fe\n-0.000067 -0.000134 0.762793 Fe\n0.333379 0.666758 0.366131 Se\n0.666620 0.333241 0.633869 Se\n0.666730 0.333460 0.124899 Se\n0.333270 0.666539 0.875100 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Fe",
"Se"
],
"chemical_system": "Fe-Se",
"density": 6.6973634299334615,
"density_atomic": 0.05840750083664157,
"volume": 119.84762059205579,
"volume_molar": 10.31056058509192,
"formula_full": "Fe3 Se4",
"formula_reduced": "Fe3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.563014280952381,
"spacegroup": 164
},
{
"id": "jvasp-57076",
"created_at": "2022-09-04T14:37:48.890678Z",
"updated_at": "2022-09-04T14:37:48.890705Z",
"structure_string": "V6 S8\n1.0\n3.073865 -0.000000 -0.000000\n1.536933 5.389971 -2.820232\n1.536933 3.878620 11.154911\nV S\n6 8\ndirect\n0.910879 0.948718 0.229519 V\n0.910893 0.448702 0.729507 V\n0.000034 0.999906 0.000023 V\n0.999963 0.500088 0.499979 V\n0.089118 0.551281 0.270482 V\n0.089102 0.051301 0.770493 V\n0.338953 0.183857 0.138233 S\n0.338943 0.683867 0.638242 S\n0.595710 0.681700 0.126879 S\n0.595732 0.181646 0.626887 S\n0.661045 0.316141 0.361767 S\n0.661051 0.816135 0.861757 S\n0.404288 0.818300 0.373121 S\n0.404264 0.318357 0.873112 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.273523579162393,
"density_atomic": 0.06409116255308302,
"volume": 218.4388524456021,
"volume_molar": 9.396210834859186,
"formula_full": "V6 S8",
"formula_reduced": "V3S4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.2443003714285714,
"spacegroup": 12
},
{
"id": "jvasp-56488",
"created_at": "2022-09-04T14:37:41.956760Z",
"updated_at": "2022-09-04T14:37:41.956786Z",
"structure_string": "Sn3 As4\n1.0\n5.851359 0.000000 0.000000\n0.000000 5.851359 0.000000\n0.000000 -0.000000 5.851508\nSn As\n3 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.287930 0.287930 0.787925 As\n0.712070 0.712070 0.787925 As\n0.712070 0.287930 0.212076 As\n0.287930 0.712070 0.212076 As\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Sn",
"As"
],
"chemical_system": "As-Sn",
"density": 5.435632399042426,
"density_atomic": 0.034939505030026,
"volume": 200.3462840696914,
"volume_molar": 17.235907477294674,
"formula_full": "Sn3 As4",
"formula_reduced": "Sn3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.7106974428571426,
"spacegroup": 215
},
{
"id": "jvasp-18276",
"created_at": "2022-09-04T14:38:11.722872Z",
"updated_at": "2022-09-04T14:38:11.722903Z",
"structure_string": "V3 Se4\n1.0\n3.303348 -0.000000 -0.863554\n-0.688917 5.545808 -2.635313\n0.036719 0.042689 6.890382\nV Se\n3 4\ndirect\n0.255446 0.322309 0.510892 V\n0.744554 0.677691 0.489109 V\n0.000000 0.000000 0.000000 V\n0.640692 0.979533 0.281385 Se\n0.359308 0.020468 0.718616 Se\n0.107155 0.452429 0.214310 Se\n0.892845 0.547571 0.785691 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"V",
"Se"
],
"chemical_system": "Se-V",
"density": 6.137368426137932,
"density_atomic": 0.055203813388188014,
"volume": 126.80283426756517,
"volume_molar": 10.908921667517557,
"formula_full": "V3 Se4",
"formula_reduced": "V3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.930219438095237,
"spacegroup": 12
}
]
}