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=-density&page=985",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=983",
"results": [
{
"id": "jvasp-934",
"created_at": "2022-09-04T14:37:47.325221Z",
"updated_at": "2022-09-04T14:37:47.325243Z",
"structure_string": "Nb1\n1.0\n2.710013 -0.000000 -0.958134\n-1.355006 2.346940 -0.958134\n-0.000000 -0.000000 2.874403\nNb\n1\ndirect\n-0.000000 -0.000000 -0.000000 Nb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.43866249246351,
"density_atomic": 0.054698948956260686,
"volume": 18.2818869298501,
"volume_molar": 11.009609644996154,
"formula_full": "Nb1",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy_above_hull": 5.999999999062311e-07,
"spacegroup": 229
},
{
"id": "jvasp-37489",
"created_at": "2022-09-04T14:38:05.382429Z",
"updated_at": "2022-09-04T14:38:05.382456Z",
"structure_string": "Yb2 Cr2 C3\n1.0\n-3.564649 -0.000964 0.000965\n1.781138 5.078330 0.012824\n-0.002703 -1.496042 -5.288942\nYb Cr C\n2 2 3\ndirect\n0.400463 0.800691 0.185813 Yb\n0.599537 0.199311 0.814189 Yb\n0.157991 0.315907 0.401395 Cr\n0.842009 0.684095 0.598606 Cr\n-0.000000 0.000000 0.500000 C\n0.687157 0.374121 0.293259 C\n0.312843 0.625881 0.706743 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Yb",
"Cr",
"C"
],
"chemical_system": "C-Cr-Yb",
"density": 8.437916571425506,
"density_atomic": 0.07317364798516478,
"volume": 95.66285394735519,
"volume_molar": 8.22993102820421,
"formula_full": "Yb2 Cr2 C3",
"formula_reduced": "Yb2Cr2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.213590885714287,
"spacegroup": 12
},
{
"id": "jvasp-8001",
"created_at": "2022-09-04T14:36:43.061826Z",
"updated_at": "2022-09-04T14:36:43.061838Z",
"structure_string": "Ir2 F6\n1.0\n4.406328 -0.004793 3.160646\n1.619949 4.097745 3.160646\n-0.007057 -0.004793 5.422671\nIr F\n2 6\ndirect\n0.499999 0.500001 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.425350 0.750001 0.074650 F\n0.750000 0.074651 0.425351 F\n0.925350 0.574651 0.250000 F\n0.249999 0.925352 0.574650 F\n0.574649 0.250001 0.925351 F\n0.074649 0.425352 0.750000 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ir",
"F"
],
"chemical_system": "F-Ir",
"density": 8.437897341593683,
"density_atomic": 0.08155973675387254,
"volume": 98.08761428622624,
"volume_molar": 7.383717750553017,
"formula_full": "Ir2 F6",
"formula_reduced": "IrF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.693315486875,
"spacegroup": 167
},
{
"id": "jvasp-42002",
"created_at": "2022-09-04T14:37:37.633108Z",
"updated_at": "2022-09-04T14:37:37.633129Z",
"structure_string": "Pm2 Zn1 Ru1\n1.0\n0.000000 3.554752 3.554752\n3.554752 0.000000 3.554752\n3.554752 3.554752 -0.000000\nPm Zn Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Zn",
"Ru"
],
"chemical_system": "Pm-Ru-Zn",
"density": 8.437464974580756,
"density_atomic": 0.04452480990543227,
"volume": 89.83755368064982,
"volume_molar": 13.525359844973233,
"formula_full": "Pm2 Zn1 Ru1",
"formula_reduced": "Pm2ZnRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4446333124999995,
"spacegroup": 225
},
{
"id": "jvasp-38416",
"created_at": "2022-09-04T14:38:06.583782Z",
"updated_at": "2022-09-04T14:38:06.583808Z",
"structure_string": "Li2 Tm1 Tl1\n1.0\n0.000000 3.365006 3.365006\n3.365006 0.000000 3.365006\n3.365006 3.365006 -0.000000\nLi Tm Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.750002 0.750002 0.750002 Tm\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tm",
"Tl"
],
"chemical_system": "Li-Tl-Tm",
"density": 8.437161690428631,
"density_atomic": 0.052489503751902505,
"volume": 76.20571188682686,
"volume_molar": 11.473038092461914,
"formula_full": "Li2 Tm1 Tl1",
"formula_reduced": "Li2TmTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4694367125000001,
"spacegroup": 225
},
{
"id": "jvasp-110224",
"created_at": "2022-09-04T14:38:27.644381Z",
"updated_at": "2022-09-04T14:38:27.644403Z",
"structure_string": "La1 Co2 Ni3\n1.0\n4.968862 0.000000 0.000000\n-2.484431 4.303161 0.000000\n-0.000000 -0.000000 3.984281\nLa Co Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 La\n0.666666 0.333333 -0.000000 Co\n0.333333 0.666666 -0.000000 Co\n0.500000 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Co",
"Ni"
],
"chemical_system": "Co-La-Ni",
"density": 8.437117459598847,
"density_atomic": 0.07042984935950156,
"volume": 85.19115196986505,
"volume_molar": 8.550551811151312,
"formula_full": "La1 Co2 Ni3",
"formula_reduced": "LaCo2Ni3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.106719,
"spacegroup": 191
},
{
"id": "jvasp-1684",
"created_at": "2022-09-04T14:36:56.370729Z",
"updated_at": "2022-09-04T14:36:56.370741Z",
"structure_string": "Nb1 Fe1 Sb1\n1.0\n3.656973 -0.000000 2.111355\n1.218991 3.447828 2.111355\n0.000000 0.000000 4.222710\nNb Fe Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250001 Fe\n0.499999 0.500000 0.500001 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"Sb"
],
"chemical_system": "Fe-Nb-Sb",
"density": 8.436766596891914,
"density_atomic": 0.05634594303201652,
"volume": 53.24252002127926,
"volume_molar": 10.687798332842064,
"formula_full": "Nb1 Fe1 Sb1",
"formula_reduced": "NbFeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 3.003557,
"spacegroup": 216
},
{
"id": "jvasp-120409",
"created_at": "2022-09-04T14:38:49.851700Z",
"updated_at": "2022-09-04T14:38:49.851733Z",
"structure_string": "Tb1 Nb6 Sn6\n1.0\n5.807089 0.000000 0.000000\n-2.903545 5.029087 0.000000\n0.000000 -0.000000 9.628961\nTb Nb Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000001 0.500000 0.750661 Nb\n0.500001 0.500000 0.750661 Nb\n0.500000 -0.000000 0.750661 Nb\n0.000001 0.500000 0.249339 Nb\n0.500001 0.500000 0.249339 Nb\n0.500000 -0.000000 0.249339 Nb\n0.666667 0.333334 0.500000 Sn\n0.333334 0.666667 0.500000 Sn\n0.666667 0.333334 -0.000000 Sn\n0.333334 0.666667 -0.000000 Sn\n0.000000 0.000000 0.673907 Sn\n0.000000 0.000000 0.326093 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tb",
"Nb",
"Sn"
],
"chemical_system": "Nb-Sn-Tb",
"density": 8.436064045634284,
"density_atomic": 0.046229191035404876,
"volume": 281.2076030065912,
"volume_molar": 13.026705908368399,
"formula_full": "Tb1 Nb6 Sn6",
"formula_reduced": "Tb(NbSn)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.4639903846153848,
"spacegroup": 191
},
{
"id": "jvasp-67799",
"created_at": "2022-09-04T14:35:43.815071Z",
"updated_at": "2022-09-04T14:35:43.815100Z",
"structure_string": "Hf1 Be2 In1\n1.0\n4.091582 0.000000 0.000000\n0.000000 4.091582 -0.000000\n0.000000 0.000000 3.660867\nHf Be In\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"In"
],
"chemical_system": "Be-Hf-In",
"density": 8.435423610947444,
"density_atomic": 0.06526698056088784,
"volume": 61.28673282607862,
"volume_molar": 9.22693329497895,
"formula_full": "Hf1 Be2 In1",
"formula_reduced": "HfBe2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1797412925,
"spacegroup": 123
},
{
"id": "jvasp-106769",
"created_at": "2022-09-04T14:36:59.167025Z",
"updated_at": "2022-09-04T14:36:59.167053Z",
"structure_string": "Nb6 Sn2 H2\n1.0\n5.400679 0.001389 0.000000\n-0.019697 5.400643 0.000000\n-0.000000 0.000000 5.378922\nNb Sn H\n6 2 2\ndirect\n0.253106 0.508951 0.250000 Nb\n0.990000 0.990000 -0.000000 Nb\n0.508952 0.253106 0.750000 Nb\n0.745530 0.512000 0.250000 Nb\n0.990000 0.990000 0.500000 Nb\n0.512000 0.745529 0.750000 Nb\n0.496662 0.003974 0.250000 Sn\n0.003974 0.496662 0.750000 Sn\n0.997738 0.252039 0.250000 H\n0.252039 0.997737 0.750000 H\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"Sn",
"H"
],
"chemical_system": "H-Nb-Sn",
"density": 8.434305992328136,
"density_atomic": 0.0637397728096295,
"volume": 156.8879140794372,
"volume_molar": 9.448011021291567,
"formula_full": "Nb6 Sn2 H2",
"formula_reduced": "Nb3SnH",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.105809979999998,
"spacegroup": 40
},
{
"id": "jvasp-59786",
"created_at": "2022-09-04T14:37:27.344327Z",
"updated_at": "2022-09-04T14:37:27.344354Z",
"structure_string": "Pr4 Sn4 Pd4\n1.0\n4.740924 -0.000000 0.000000\n0.000000 7.566254 0.000000\n0.000000 0.000000 8.036219\nPr Sn Pd\n4 4 4\ndirect\n0.250000 0.488119 0.701826 Pr\n0.749999 0.511880 0.298174 Pr\n0.250000 0.988119 0.798174 Pr\n0.749999 0.011880 0.201826 Pr\n0.250000 0.810811 0.412082 Sn\n0.749999 0.689188 0.912082 Sn\n0.250000 0.310812 0.087918 Sn\n0.749999 0.189188 0.587918 Sn\n0.749999 0.299821 0.916048 Pd\n0.250000 0.200178 0.416048 Pd\n0.749999 0.799821 0.583952 Pd\n0.250000 0.700178 0.083952 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Sn",
"Pd"
],
"chemical_system": "Pd-Pr-Sn",
"density": 8.434108310761065,
"density_atomic": 0.04162800257026132,
"volume": 288.26749445270514,
"volume_molar": 14.466561901055911,
"formula_full": "Pr4 Sn4 Pd4",
"formula_reduced": "PrSnPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8173724166666666,
"spacegroup": 62
},
{
"id": "jvasp-37537",
"created_at": "2022-09-04T14:38:09.651165Z",
"updated_at": "2022-09-04T14:38:09.651199Z",
"structure_string": "Sm4 Mg2 Ir2 O12\n1.0\n0.000000 5.403398 -0.007046\n5.754971 0.000000 0.000000\n0.000000 -5.361674 -7.758351\nSm Mg Ir O\n4 2 2 12\ndirect\n0.268923 0.430788 0.249166 Sm\n0.731079 0.930787 0.250834 Sm\n0.268923 0.069212 0.749166 Sm\n0.731079 0.569212 0.750834 Sm\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.000000 Ir\n0.500001 0.000000 0.500000 Ir\n0.145111 0.465814 0.751240 O\n0.854891 0.965814 0.748760 O\n0.365306 0.300121 0.553940 O\n0.246885 0.801976 0.553428 O\n0.753117 0.198024 0.446573 O\n0.365306 0.199879 0.053940 O\n0.145111 0.034186 0.251240 O\n0.854890 0.534186 0.248760 O\n0.634696 0.800121 0.946061 O\n0.246884 0.698023 0.053428 O\n0.634695 0.699878 0.446061 O\n0.753117 0.301976 0.946573 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-O-Sm",
"density": 8.434080017822785,
"density_atomic": 0.08282458676101247,
"volume": 241.47418999758273,
"volume_molar": 7.270957810362137,
"formula_full": "Sm4 Mg2 Ir2 O12",
"formula_reduced": "Sm2MgIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.27609389,
"spacegroup": 14
}
]
}