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=spacegroup&page=913",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=911",
"results": [
{
"id": "jvasp-12317",
"created_at": "2022-09-04T14:38:10.236390Z",
"updated_at": "2022-09-04T14:38:10.236419Z",
"structure_string": "Ba4 In4 O10\n1.0\n5.705268 0.000000 -1.910038\n-0.671025 5.809178 -2.004346\n0.006982 -0.011672 9.496671\nBa In O\n4 4 10\ndirect\n0.589293 0.123955 0.218491 Ba\n0.089292 0.594537 0.218490 Ba\n0.870801 0.405463 0.781509 Ba\n0.370800 0.876046 0.781509 Ba\n0.975304 -0.000000 -0.000000 In\n0.475303 0.500000 -0.000000 In\n0.255212 0.187755 0.500000 In\n0.755212 0.812246 0.499999 In\n0.737435 0.753828 0.016430 O\n0.100221 0.880931 0.500000 O\n0.237435 0.762604 0.016430 O\n0.089317 0.191417 0.274606 O\n0.814711 0.808583 0.725394 O\n0.589317 0.583189 0.274605 O\n0.314711 0.416812 0.725394 O\n0.600222 0.119070 0.500000 O\n0.221004 0.237397 0.983569 O\n0.721004 0.246173 0.983569 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"In",
"O"
],
"chemical_system": "Ba-In-O",
"density": 6.166533805546109,
"density_atomic": 0.05720161689720534,
"volume": 314.6764195904996,
"volume_molar": 10.527920514593392,
"formula_full": "Ba4 In4 O10",
"formula_reduced": "Ba2In2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.1421654866666668,
"spacegroup": 46
},
{
"id": "jvasp-9849",
"created_at": "2022-09-04T14:38:11.448225Z",
"updated_at": "2022-09-04T14:38:11.448252Z",
"structure_string": "Ca4 Al2 Co2 O10\n1.0\n5.203116 0.000309 -0.000342\n-0.000332 5.504773 -0.011894\n-2.600949 -2.736528 7.419664\nCa Al Co O\n4 2 2 10\ndirect\n0.897605 0.358606 0.781463 Ca\n0.615975 0.076945 0.218129 Ca\n0.115972 0.637487 0.218131 Ca\n0.397611 0.919151 0.781466 Ca\n0.794016 0.673831 0.499800 Al\n0.294010 0.322263 0.499792 Al\n0.496510 0.498046 0.999792 Co\n0.996511 0.998043 0.999793 Co\n0.237045 0.739213 0.975020 O\n0.261929 0.256772 0.024571 O\n0.116740 0.078047 0.293329 O\n0.823233 0.918044 0.706269 O\n0.136054 0.613615 0.499796 O\n0.323218 0.284505 0.706256 O\n0.636053 0.382478 0.499794 O\n0.737043 0.732101 0.975020 O\n0.616741 0.711597 0.293343 O\n0.761925 0.264095 0.024569 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Co",
"O"
],
"chemical_system": "Al-Ca-Co-O",
"density": 3.8486004171722414,
"density_atomic": 0.08476987941134038,
"volume": 212.33957302989847,
"volume_molar": 7.104104431690825,
"formula_full": "Ca4 Al2 Co2 O10",
"formula_reduced": "Ca2AlCoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.824095782222222,
"spacegroup": 46
},
{
"id": "jvasp-33220",
"created_at": "2022-09-04T14:38:13.642067Z",
"updated_at": "2022-09-04T14:38:13.642093Z",
"structure_string": "Ga4 Se6\n1.0\n4.370479 -0.000000 -2.498488\n-2.846257 9.421937 -4.978813\n1.524930 -1.910171 7.739256\nGa Se\n4 6\ndirect\n0.375630 0.597105 0.751277 Ga\n0.375646 0.097105 0.751277 Ga\n0.004667 0.471926 0.000864 Ga\n-0.003803 0.971926 0.000864 Ga\n0.902362 0.887407 0.186942 Se\n0.198501 0.830748 0.718532 Se\n0.284579 0.387407 0.186942 Se\n0.520029 0.330748 0.718532 Se\n0.902181 0.242617 0.186988 Se\n0.284807 0.742617 0.186988 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ga",
"Se"
],
"chemical_system": "Ga-Se",
"density": 4.173832435532062,
"density_atomic": 0.03339578775332286,
"volume": 299.4389614003043,
"volume_molar": 18.032635745808392,
"formula_full": "Ga4 Se6",
"formula_reduced": "Ga2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.6722275711111111,
"spacegroup": 46
},
{
"id": "jvasp-110230",
"created_at": "2022-09-04T14:38:17.974763Z",
"updated_at": "2022-09-04T14:38:17.974787Z",
"structure_string": "K2 C2 N2 O2\n1.0\n5.038527 -0.049771 -2.155973\n-2.188040 4.518588 -2.198249\n0.039464 0.049771 5.480275\nK C N O\n2 2 2 2\ndirect\n0.251539 -0.000000 0.251539 K\n0.751539 0.500000 0.251540 K\n0.498281 0.747740 0.746022 C\n0.998282 0.252261 0.750545 C\n0.357984 0.609002 0.466986 N\n0.857985 0.390998 0.748984 N\n0.642196 0.892008 0.034204 O\n0.142195 0.107993 0.750189 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"C",
"N",
"O"
],
"chemical_system": "C-K-N-O",
"density": 2.1491405651207387,
"density_atomic": 0.06382252873093004,
"volume": 125.34758742837141,
"volume_molar": 9.435760192750738,
"formula_full": "K2 C2 N2 O2",
"formula_reduced": "KCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.8881736874999997,
"spacegroup": 46
},
{
"id": "jvasp-117357",
"created_at": "2022-09-04T14:38:26.506458Z",
"updated_at": "2022-09-04T14:38:26.506469Z",
"structure_string": "Hf6 As6 Ru6\n1.0\n6.629220 0.005683 -3.890135\n-1.660410 5.802440 -4.759672\n-0.020770 -0.005683 7.686305\nHf As Ru\n6 6 6\ndirect\n0.466113 0.687827 0.721714 Hf\n0.533887 0.255601 0.221714 Hf\n0.749583 0.834271 0.584688 Hf\n0.250417 0.835106 0.084688 Hf\n0.052392 0.258581 0.706189 Hf\n0.947608 0.653797 0.206189 Hf\n0.836825 0.587082 0.757325 As\n0.163175 0.920500 0.750257 As\n0.670242 0.920499 0.257325 As\n0.329758 0.587082 0.250257 As\n0.723913 0.224142 0.000230 As\n0.276087 0.276316 0.500229 As\n0.500000 0.499805 0.999804 Ru\n0.000000 0.499805 0.499804 Ru\n0.094017 0.252538 0.101073 Ru\n0.905982 0.007055 0.158521 Ru\n0.348535 0.007055 0.601073 Ru\n0.651465 0.252538 0.658521 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"As",
"Ru"
],
"chemical_system": "As-Hf-Ru",
"density": 11.97024079929865,
"density_atomic": 0.061007235678283096,
"volume": 295.04696942706266,
"volume_molar": 9.871191003895488,
"formula_full": "Hf6 As6 Ru6",
"formula_reduced": "HfAsRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.396338416666667,
"spacegroup": 46
},
{
"id": "jvasp-119243",
"created_at": "2022-09-04T14:38:26.642222Z",
"updated_at": "2022-09-04T14:38:26.642243Z",
"structure_string": "Ca4 Al2 Co2 O10\n1.0\n4.923781 -0.043712 -1.660218\n-0.577809 5.150446 -1.847419\n0.058227 0.045821 8.302747\nCa Al Co O\n4 2 2 10\ndirect\n0.116596 0.641544 0.218731 Ca\n0.398079 0.923004 0.781682 Ca\n0.898052 0.362354 0.781659 Ca\n0.616610 0.080904 0.218740 Ca\n0.293891 0.326390 0.500205 Al\n0.793904 0.677530 0.500207 Al\n0.496906 0.501950 0.000195 Co\n0.996916 0.001949 0.000195 Co\n0.262831 0.260834 0.025618 O\n0.237337 0.742988 0.974785 O\n0.822922 0.922319 0.706443 O\n0.116681 0.081594 0.293965 O\n0.635653 0.386847 0.500205 O\n0.616701 0.716112 0.293987 O\n0.135665 0.617064 0.500213 O\n0.762836 0.268485 0.025614 O\n0.322914 0.287803 0.706428 O\n0.737357 0.735494 0.974801 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Co",
"O"
],
"chemical_system": "Al-Ca-Co-O",
"density": 3.867378543678905,
"density_atomic": 0.08518348938561524,
"volume": 211.30855439034906,
"volume_molar": 7.06961032405999,
"formula_full": "Ca4 Al2 Co2 O10",
"formula_reduced": "Ca2AlCoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.8228813377777775,
"spacegroup": 46
},
{
"id": "jvasp-40205",
"created_at": "2022-09-04T14:38:34.480449Z",
"updated_at": "2022-09-04T14:38:34.480485Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n-0.000000 0.000000 -7.004564\n-5.990911 0.021717 -3.502282\n-2.002883 5.645930 -3.502282\nCa Sn S\n2 2 6\ndirect\n0.710868 0.219636 0.280329 Ca\n0.210834 0.780363 0.719671 Ca\n0.494394 -0.000000 -0.000000 Sn\n0.994402 0.500000 0.500000 Sn\n0.313664 0.380910 0.119088 S\n0.813662 0.619090 0.880913 S\n0.313209 0.158165 0.688503 S\n0.159877 0.841835 0.311498 S\n0.659879 0.811481 0.341845 S\n0.813205 0.188518 0.658156 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.578818708201609,
"density_atomic": 0.042261935154028735,
"volume": 236.6195481478496,
"volume_molar": 14.249562255139477,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.996018424,
"spacegroup": 46
},
{
"id": "jvasp-21703",
"created_at": "2022-09-04T14:38:36.415878Z",
"updated_at": "2022-09-04T14:38:36.415898Z",
"structure_string": "Ti6 Si6 Ru6\n1.0\n5.840039 0.000000 -2.859786\n-1.662578 6.014109 -3.395191\n0.000875 -0.020359 7.394721\nTi Si Ru\n6 6 6\ndirect\n0.045061 0.026068 0.552133 Ti\n0.100732 0.554671 0.609341 Ti\n0.920617 0.753351 0.006703 Ti\n0.491391 0.445329 0.390659 Ti\n0.492926 0.973932 0.447866 Ti\n0.913913 0.246649 0.993296 Ti\n0.538638 0.781865 0.063729 Si\n0.474908 0.218135 0.936270 Si\n0.827412 0.338705 0.664996 Si\n0.162415 0.661294 0.335003 Si\n0.162415 0.173708 0.335002 Si\n0.827412 0.826292 0.664997 Si\n0.496880 0.408910 0.746913 Ru\n0.245327 0.500000 -0.000000 Ru\n0.245328 -0.000000 -0.000000 Ru\n0.496881 0.838000 0.746913 Ru\n0.749967 0.591090 0.253086 Ru\n0.749968 0.162000 0.253086 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Ti",
"density": 6.8035009997627665,
"density_atomic": 0.06943463236966663,
"volume": 259.2366285482563,
"volume_molar": 8.673108151474633,
"formula_full": "Ti6 Si6 Ru6",
"formula_reduced": "TiSiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.123135811111111,
"spacegroup": 46
},
{
"id": "jvasp-106339",
"created_at": "2022-09-04T14:38:39.160332Z",
"updated_at": "2022-09-04T14:38:39.160360Z",
"structure_string": "Rb2 C2 N2 O2\n1.0\n5.257018 -0.016302 -2.320335\n-2.218464 4.746769 -2.359461\n0.019425 0.016302 5.746287\nRb C N O\n2 2 2 2\ndirect\n0.249971 0.000000 0.249971 Rb\n0.749972 0.500000 0.249971 Rb\n0.001122 0.249482 0.750604 C\n0.501123 0.750518 0.751640 C\n0.136962 0.115966 0.752928 N\n0.636963 0.884034 0.020996 N\n0.861947 0.387999 0.749944 O\n0.361946 0.612002 0.473948 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Rb",
"C",
"N",
"O"
],
"chemical_system": "C-N-O-Rb",
"density": 2.946628819272667,
"density_atomic": 0.05567735561241092,
"volume": 143.6849848920759,
"volume_molar": 10.816140051481932,
"formula_full": "Rb2 C2 N2 O2",
"formula_reduced": "RbCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.8903166874999995,
"spacegroup": 46
},
{
"id": "jvasp-116586",
"created_at": "2022-09-04T14:38:42.364210Z",
"updated_at": "2022-09-04T14:38:42.364228Z",
"structure_string": "Ti6 As6 Ru6\n1.0\n6.407497 -0.003728 -3.877319\n-1.620284 5.664896 -4.623123\n0.006134 0.003728 7.489298\nTi As Ru\n6 6 6\ndirect\n0.470238 0.244546 0.274308 Ti\n0.529762 0.804071 0.774309 Ti\n0.749874 0.666143 0.416269 Ti\n0.250126 0.666395 0.916269 Ti\n0.056835 0.849552 0.292718 Ti\n0.943166 0.235883 0.792717 Ti\n0.711491 0.215060 0.003569 As\n0.288509 0.292078 0.503569 As\n0.330414 0.579165 0.243207 As\n0.669587 0.912793 0.248753 As\n0.164042 0.912794 0.743208 As\n0.835959 0.579165 0.748753 As\n0.667822 0.496429 0.915316 Ru\n0.332178 0.247494 0.828608 Ru\n0.918887 0.247494 0.415316 Ru\n0.081113 0.496429 0.328609 Ru\n0.000000 0.997457 0.997458 Ru\n0.500001 0.997457 0.497457 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"As",
"Ru"
],
"chemical_system": "As-Ru-Ti",
"density": 8.197771916988904,
"density_atomic": 0.06615980322338672,
"volume": 272.06852383196343,
"volume_molar": 9.102416371563878,
"formula_full": "Ti6 As6 Ru6",
"formula_reduced": "TiAsRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9279101944444443,
"spacegroup": 46
},
{
"id": "jvasp-116921",
"created_at": "2022-09-04T14:38:44.399980Z",
"updated_at": "2022-09-04T14:38:44.400014Z",
"structure_string": "Ti6 Ge6 Ir6\n1.0\n6.469571 -0.008667 -3.828504\n-1.648095 5.678176 -4.642733\n0.011902 0.008667 7.517490\nTi Ge Ir\n6 6 6\ndirect\n0.443937 0.397317 0.453381 Ti\n0.556063 0.009444 0.953381 Ti\n0.016436 0.010607 0.494170 Ti\n0.983563 0.477733 0.994171 Ti\n0.249731 0.580314 0.830584 Ti\n0.750270 0.580854 0.330584 Ti\n0.798987 0.049011 0.750023 Ge\n0.201013 0.951035 0.250024 Ge\n0.335542 0.334167 0.005436 Ge\n0.664459 0.669893 -0.001374 Ge\n0.828731 0.334167 0.498626 Ge\n0.171269 0.669894 0.505437 Ge\n0.427583 0.748572 0.422736 Ir\n0.572418 0.995153 0.320991 Ir\n0.825839 0.748572 0.820991 Ir\n0.174162 0.995153 0.922736 Ir\n0.000000 0.254058 0.254058 Ir\n0.500000 0.254058 0.754058 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Ti",
"density": 11.263433715272521,
"density_atomic": 0.06507014168826966,
"volume": 276.62457054776786,
"volume_molar": 9.254845008406713,
"formula_full": "Ti6 Ge6 Ir6",
"formula_reduced": "TiGeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5014084611111107,
"spacegroup": 46
},
{
"id": "jvasp-116731",
"created_at": "2022-09-04T14:38:44.692258Z",
"updated_at": "2022-09-04T14:38:44.692290Z",
"structure_string": "Ti2 Cr2 Ag2 S8\n1.0\n6.321194 -0.004116 -3.524941\n-2.114713 5.892119 -3.632305\n-0.004197 0.004116 7.237588\nTi Cr Ag S\n2 2 2 8\ndirect\n0.992784 0.721216 0.228431 Ti\n0.007215 0.235647 0.728432 Ti\n0.499999 0.255042 0.755042 Cr\n0.000000 0.255042 0.255042 Cr\n0.372303 0.886552 0.014248 Ag\n0.627697 0.641945 0.514248 Ag\n0.757858 0.484026 0.226168 S\n0.759871 0.481853 0.766280 S\n0.215572 0.481852 0.221981 S\n0.765351 0.053682 0.788329 S\n0.234648 0.022977 0.288329 S\n0.242142 0.468310 0.726168 S\n0.784427 0.006408 0.266279 S\n0.240128 0.006409 0.721981 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ti",
"density": 4.13983456064632,
"density_atomic": 0.05194023333091744,
"volume": 269.5405681142078,
"volume_molar": 11.594366012243766,
"formula_full": "Ti2 Cr2 Ag2 S8",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.46550899904762,
"spacegroup": 46
}
]
}