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=73",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=71",
"results": [
{
"id": "jvasp-58096",
"created_at": "2022-09-04T14:37:30.886849Z",
"updated_at": "2022-09-04T14:37:30.886875Z",
"structure_string": "Ca2 Ni4 S8\n1.0\n6.396420 0.000000 -3.358202\n-1.763098 6.148632 -3.358202\n-0.257527 -0.341751 7.280265\nCa Ni S\n2 4 8\ndirect\n0.375000 0.625000 0.750001 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 0.000000 0.500000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.773639 0.815550 0.547279 S\n0.768272 0.226361 0.952723 S\n0.184450 0.226361 0.952722 S\n0.226361 0.184450 0.452722 S\n0.226361 0.768273 0.452722 S\n0.231727 0.773639 0.047278 S\n0.773639 0.231727 0.547279 S\n0.815550 0.773639 0.047278 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"S"
],
"chemical_system": "Ca-Ni-S",
"density": 3.493211077137509,
"density_atomic": 0.0515377950136921,
"volume": 271.6453041167284,
"volume_molar": 11.684901844171044,
"formula_full": "Ca2 Ni4 S8",
"formula_reduced": "Ca(NiS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4107678885714288,
"spacegroup": 227
},
{
"id": "jvasp-17787",
"created_at": "2022-09-04T14:37:31.053045Z",
"updated_at": "2022-09-04T14:37:31.053059Z",
"structure_string": "Np2 Al4\n1.0\n4.758466 -0.000000 2.747302\n1.586155 4.486324 2.747302\n0.000000 0.000000 5.494604\nNp Al\n2 4\ndirect\n0.875002 0.874999 0.874998 Np\n0.125000 0.125000 0.125000 Np\n0.500001 0.500000 0.499999 Al\n0.500001 0.500000 -0.000001 Al\n0.000001 0.500000 0.499999 Al\n0.500000 0.000000 0.499999 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"Al"
],
"chemical_system": "Al-Np",
"density": 8.23802244389549,
"density_atomic": 0.05115136728247612,
"volume": 117.29891728731036,
"volume_molar": 11.77317651499634,
"formula_full": "Np2 Al4",
"formula_reduced": "NpAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.042248533333334,
"spacegroup": 227
},
{
"id": "jvasp-23086",
"created_at": "2022-09-04T14:37:31.345135Z",
"updated_at": "2022-09-04T14:37:31.345156Z",
"structure_string": "Mg16 Pd8\n1.0\n7.399139 0.000000 4.271895\n2.466380 6.975976 4.271895\n0.000000 0.000000 8.543791\nMg Pd\n16 8\ndirect\n0.820019 0.429981 0.429980 Mg\n0.000000 0.000000 0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.500000 -0.000000 Mg\n0.179981 0.570020 0.570019 Mg\n0.820019 0.429981 0.820018 Mg\n0.820019 0.820020 0.429980 Mg\n0.429981 0.820020 0.820018 Mg\n0.429981 0.820020 0.429980 Mg\n0.179981 0.570020 0.179980 Mg\n0.570019 0.179981 0.570019 Mg\n0.570019 0.179981 0.179980 Mg\n0.179981 0.179981 0.570019 Mg\n0.570019 0.570020 0.179980 Mg\n0.429981 0.429981 0.820019 Mg\n0.781571 0.781572 0.155284 Pd\n0.844715 0.218429 0.218428 Pd\n0.218429 0.844715 0.218428 Pd\n0.218429 0.218429 0.844715 Pd\n0.781571 0.781572 0.781570 Pd\n0.781571 0.155285 0.781571 Pd\n0.155285 0.781572 0.781571 Pd\n0.218429 0.218429 0.218428 Pd\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 4.670012592736268,
"density_atomic": 0.05442199547342301,
"volume": 440.9981624382076,
"volume_molar": 11.065637537934297,
"formula_full": "Mg16 Pd8",
"formula_reduced": "Mg2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2157011399999999,
"spacegroup": 227
},
{
"id": "jvasp-58082",
"created_at": "2022-09-04T14:37:31.839364Z",
"updated_at": "2022-09-04T14:37:31.839376Z",
"structure_string": "Al4 Cr4 O14\n1.0\n5.750316 -0.000000 3.319947\n1.916772 5.421450 3.319947\n-0.000000 -0.000000 6.639893\nAl Cr O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n-0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.655971 0.094029 0.094030 O\n0.094029 0.094029 0.655970 O\n0.655971 0.655971 0.094030 O\n0.905971 0.344029 0.344030 O\n0.344029 0.905970 0.344030 O\n0.344030 0.344029 0.905970 O\n0.344029 0.905970 0.905971 O\n0.905971 0.344029 0.905971 O\n0.094029 0.655971 0.655971 O\n0.655971 0.094029 0.655970 O\n0.375000 0.375000 0.375000 O\n0.625000 0.625000 0.625000 O\n0.905971 0.905970 0.344030 O\n0.094029 0.655971 0.094030 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 4.3310770398675285,
"density_atomic": 0.10628070627328426,
"volume": 206.9990007728254,
"volume_molar": 5.666259635605925,
"formula_full": "Al4 Cr4 O14",
"formula_reduced": "Al2Cr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.0794495363636365,
"spacegroup": 227
},
{
"id": "jvasp-9592",
"created_at": "2022-09-04T14:37:32.674309Z",
"updated_at": "2022-09-04T14:37:32.674337Z",
"structure_string": "Tm4 Cd2 S8\n1.0\n6.817070 -0.000000 3.935837\n2.272357 6.427195 3.935837\n-0.000000 -0.000000 7.871675\nTm Cd S\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875001 0.875000 Cd\n0.741945 0.741946 0.741945 S\n0.258055 0.258055 0.725834 S\n0.258055 0.725835 0.258055 S\n0.725835 0.258055 0.258055 S\n0.741945 0.274166 0.741945 S\n0.274166 0.741946 0.741945 S\n0.258055 0.258055 0.258055 S\n0.741945 0.741946 0.274165 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Cd",
"S"
],
"chemical_system": "Cd-S-Tm",
"density": 5.570903864117706,
"density_atomic": 0.040592112235354555,
"volume": 344.8945922997918,
"volume_molar": 14.835741301372558,
"formula_full": "Tm4 Cd2 S8",
"formula_reduced": "Tm2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.108502607142857,
"spacegroup": 227
},
{
"id": "jvasp-58025",
"created_at": "2022-09-04T14:37:32.132330Z",
"updated_at": "2022-09-04T14:37:32.132353Z",
"structure_string": "Mg2 Ti4 S8\n1.0\n6.471436 0.000000 -3.397587\n-1.783776 6.220744 -3.397587\n-0.298454 -0.396064 7.293446\nMg Ti S\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n0.000000 0.000000 0.500001 Ti\n-0.000000 0.500000 -0.000001 Ti\n0.500001 0.000000 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.759088 0.777140 0.518177 S\n0.758966 0.240912 0.981824 S\n0.222860 0.240912 0.981824 S\n0.240912 0.222860 0.481823 S\n0.240912 0.758965 0.481823 S\n0.241034 0.759088 0.018176 S\n0.759089 0.241035 0.518178 S\n0.777140 0.759088 0.018176 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Ti",
"density": 2.985628052350964,
"density_atomic": 0.050688527445269346,
"volume": 276.1966209240626,
"volume_molar": 11.880678061721902,
"formula_full": "Mg2 Ti4 S8",
"formula_reduced": "Mg(TiS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1325922452380954,
"spacegroup": 227
},
{
"id": "jvasp-11285",
"created_at": "2022-09-04T14:37:32.481172Z",
"updated_at": "2022-09-04T14:37:32.481200Z",
"structure_string": "Mg2 V4 S8\n1.0\n6.408308 0.000000 -3.364444\n-1.766375 6.160060 -3.364444\n-0.295058 -0.391555 7.223223\nMg V S\n2 4 8\ndirect\n0.375000 0.624999 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n-0.000000 -0.000000 0.499999 V\n0.000000 0.500000 0.000000 V\n0.500000 -0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.761013 0.782804 0.522025 S\n0.760781 0.238987 0.977975 S\n0.217195 0.238987 0.977975 S\n0.238988 0.217195 0.477975 S\n0.238988 0.760780 0.477976 S\n0.239220 0.761012 0.022025 S\n0.761012 0.239219 0.522025 S\n0.782805 0.761012 0.022026 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"V",
"S"
],
"chemical_system": "Mg-S-V",
"density": 3.1501243117012745,
"density_atomic": 0.052188833931425246,
"volume": 268.2566163174987,
"volume_molar": 11.539136451894928,
"formula_full": "Mg2 V4 S8",
"formula_reduced": "Mg(VS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.357732492857143,
"spacegroup": 227
},
{
"id": "jvasp-11406",
"created_at": "2022-09-04T14:37:32.611249Z",
"updated_at": "2022-09-04T14:37:32.611267Z",
"structure_string": "Y4 Mg2 Se8\n1.0\n7.119376 -0.000000 4.110374\n2.373125 6.712213 4.110374\n-0.000000 -0.000000 8.220748\nY Mg Se\n4 2 8\ndirect\n0.500001 0.500000 0.499999 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500001 0.500000 -0.000001 Y\n0.875001 0.875000 0.874999 Mg\n0.125000 0.125000 0.125000 Mg\n0.254209 0.254208 0.737374 Se\n0.745793 0.745791 0.745791 Se\n0.745793 0.745791 0.262625 Se\n0.254209 0.737374 0.254208 Se\n0.254209 0.254208 0.254208 Se\n0.262627 0.745791 0.745791 Se\n0.745792 0.262626 0.745791 Se\n0.737374 0.254208 0.254208 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Y",
"density": 4.378784308221622,
"density_atomic": 0.03563764853245809,
"volume": 392.84297860587145,
"volume_molar": 16.89825509815876,
"formula_full": "Y4 Mg2 Se8",
"formula_reduced": "Y2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4585933452380953,
"spacegroup": 227
},
{
"id": "jvasp-14762",
"created_at": "2022-09-04T14:36:51.499503Z",
"updated_at": "2022-09-04T14:36:51.499525Z",
"structure_string": "Sm2 Mg4\n1.0\n5.250332 0.000000 3.031280\n1.750110 4.950060 3.031280\n-0.000000 0.000000 6.062561\nSm Mg\n2 4\ndirect\n0.875000 0.875000 0.875000 Sm\n0.125000 0.125000 0.125000 Sm\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 4.193854335481456,
"density_atomic": 0.03808008414926901,
"volume": 157.5626770277286,
"volume_molar": 15.81441032639,
"formula_full": "Sm2 Mg4",
"formula_reduced": "SmMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3293664416666666,
"spacegroup": 227
},
{
"id": "jvasp-15005",
"created_at": "2022-09-04T14:35:40.758880Z",
"updated_at": "2022-09-04T14:35:40.758905Z",
"structure_string": "Pr2 Ru4\n1.0\n4.712394 -0.000000 2.720702\n1.570798 4.442887 2.720702\n-0.000000 -0.000000 5.441403\nPr Ru\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.875000 0.875001 0.874999 Pr\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.499999 Ru\n0.500000 0.500000 0.499999 Ru\n0.500000 0.500000 -0.000000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Ru"
],
"chemical_system": "Pr-Ru",
"density": 10.000363540496396,
"density_atomic": 0.05266638344223019,
"volume": 113.9246632832005,
"volume_molar": 11.434505972117286,
"formula_full": "Pr2 Ru4",
"formula_reduced": "PrRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.122400283333333,
"spacegroup": 227
},
{
"id": "jvasp-23438",
"created_at": "2022-09-04T14:35:41.617833Z",
"updated_at": "2022-09-04T14:35:41.617865Z",
"structure_string": "Rb2 Ga2 O4\n1.0\n0.000000 4.208648 4.208648\n4.208648 -0.000000 4.208648\n4.208648 4.208648 0.000000\nRb Ga O\n2 2 4\ndirect\n0.375000 0.375000 0.375000 Rb\n0.625000 0.625000 0.625000 Rb\n0.125000 0.125000 0.125000 Ga\n0.875000 0.875000 0.875000 Ga\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Ga",
"O"
],
"chemical_system": "Ga-O-Rb",
"density": 4.16968264078332,
"density_atomic": 0.053657715591044146,
"volume": 149.0931902687124,
"volume_molar": 11.223252226945604,
"formula_full": "Rb2 Ga2 O4",
"formula_reduced": "RbGaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3964273312499998,
"spacegroup": 227
},
{
"id": "jvasp-14883",
"created_at": "2022-09-04T14:35:41.770415Z",
"updated_at": "2022-09-04T14:35:41.770439Z",
"structure_string": "Zr2 V4\n1.0\n4.494316 0.000000 2.594794\n1.498105 4.237282 2.594794\n0.000000 0.000000 5.189589\nZr V\n2 4\ndirect\n0.875000 0.875000 0.874999 Zr\n0.125000 0.125000 0.125000 Zr\n0.500000 0.500000 0.499999 V\n0.500000 0.500000 -0.000001 V\n-0.000000 0.500000 0.500000 V\n0.500000 -0.000000 0.499999 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"V"
],
"chemical_system": "V-Zr",
"density": 6.489230080655253,
"density_atomic": 0.06071098973611051,
"volume": 98.82889450624847,
"volume_molar": 9.919358564530318,
"formula_full": "Zr2 V4",
"formula_reduced": "ZrV2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.8656643000000006,
"spacegroup": 227
}
]
}