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=717",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=715",
"results": [
{
"id": "jvasp-123687",
"created_at": "2022-09-04T14:38:54.528649Z",
"updated_at": "2022-09-04T14:38:54.528677Z",
"structure_string": "Ni1 Se2\n1.0\n1.802576 -3.121064 -0.021120\n1.801634 3.120520 0.000000\n0.042466 -0.024517 4.911743\nNi Se\n1 2\ndirect\n-0.000000 0.333346 0.166667 Ni\n0.664586 0.665621 0.417751 Se\n0.335416 0.001035 0.915582 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"Se"
],
"chemical_system": "Ni-Se",
"density": 6.510203246434163,
"density_atomic": 0.05429769396507884,
"volume": 55.25096520543631,
"volume_molar": 11.090969653099991,
"formula_full": "Ni1 Se2",
"formula_reduced": "NiSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-123654",
"created_at": "2022-09-04T14:38:54.314198Z",
"updated_at": "2022-09-04T14:38:54.314225Z",
"structure_string": "Co1 Se2\n1.0\n1.748610 -3.026032 -0.041021\n1.746316 3.024708 0.000000\n0.045304 -0.026156 5.180032\nCo Se\n1 2\ndirect\n0.000000 0.333350 0.166667 Co\n0.667819 0.667235 0.411186 Se\n0.332181 -0.000585 0.922147 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"Se"
],
"chemical_system": "Co-Se",
"density": 6.573650898996489,
"density_atomic": 0.05476624547939629,
"volume": 54.778266681228594,
"volume_molar": 10.996081084772554,
"formula_full": "Co1 Se2",
"formula_reduced": "CoSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6864092111111113,
"spacegroup": 164
},
{
"id": "jvasp-120212",
"created_at": "2022-09-04T14:38:51.203740Z",
"updated_at": "2022-09-04T14:38:51.203760Z",
"structure_string": "H2 Cl1\n1.0\n4.919731 0.000000 0.015855\n0.000000 2.951204 0.000000\n-0.032243 0.000000 2.364815\nH Cl\n2 1\ndirect\n-0.086273 0.000000 -0.258794 H\n0.019605 0.000000 0.525456 H\n0.466670 0.000000 0.133340 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"Cl"
],
"chemical_system": "Cl-H",
"density": 1.8120199170732445,
"density_atomic": 0.08737041783188855,
"volume": 34.33656464562605,
"volume_molar": 6.8926541836933195,
"formula_full": "H2 Cl1",
"formula_reduced": "H2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6682713558333333,
"spacegroup": 10
},
{
"id": "jvasp-120374",
"created_at": "2022-09-04T14:38:54.123161Z",
"updated_at": "2022-09-04T14:38:54.123196Z",
"structure_string": "As2 C1\n1.0\n2.974775 0.000000 0.235823\n0.000000 3.241746 0.000000\n-0.507640 0.000000 6.502961\nAs C\n2 1\ndirect\n-0.199420 0.000000 -0.081038 As\n0.299325 0.000000 0.383083 As\n0.300094 0.000000 0.097955 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"As",
"C"
],
"chemical_system": "As-C",
"density": 4.259402818118106,
"density_atomic": 0.04754421734622197,
"volume": 63.09915626865168,
"volume_molar": 12.666400029568562,
"formula_full": "As2 C1",
"formula_reduced": "As2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4088344999999998,
"spacegroup": 25
},
{
"id": "jvasp-118691",
"created_at": "2022-09-04T14:38:52.821330Z",
"updated_at": "2022-09-04T14:38:52.821366Z",
"structure_string": "Mg1 Cl2\n1.0\n6.570375 0.000000 0.000000\n0.000000 3.453850 0.000000\n0.000000 0.000000 3.829263\nMg Cl\n1 2\ndirect\n0.000000 0.450669 0.000000 Mg\n0.248122 -0.049335 0.000000 Cl\n0.751877 -0.049335 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.8193966844383813,
"density_atomic": 0.0345233101293494,
"volume": 86.8978087199582,
"volume_molar": 17.443694528238122,
"formula_full": "Mg1 Cl2",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1265666666666666,
"spacegroup": 47
},
{
"id": "jvasp-123713",
"created_at": "2022-09-04T14:38:54.959032Z",
"updated_at": "2022-09-04T14:38:54.959059Z",
"structure_string": "Tb1 Se2\n1.0\n2.163166 -3.650308 -0.594873\n2.079678 3.602107 -0.000000\n-0.720240 0.415831 5.878764\nTb Se\n1 2\ndirect\n-0.000000 0.333351 0.166667 Tb\n0.771527 0.719089 0.429461 Se\n0.228474 -0.052438 0.903872 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"Se"
],
"chemical_system": "Se-Tb",
"density": 5.953242837821644,
"density_atomic": 0.033945203576646994,
"volume": 88.377728924975,
"volume_molar": 17.7407707878441,
"formula_full": "Tb1 Se2",
"formula_reduced": "TbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-117519",
"created_at": "2022-09-04T14:38:51.227747Z",
"updated_at": "2022-09-04T14:38:51.227767Z",
"structure_string": "B2 Te1\n1.0\n4.369916 0.000000 -0.000000\n-2.184958 3.784459 0.000000\n0.000000 -0.000000 2.819193\nB Te\n2 1\ndirect\n0.333334 0.666668 0.000000 B\n0.666668 0.333334 0.000000 B\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Te"
],
"chemical_system": "B-Te",
"density": 5.3147183229573995,
"density_atomic": 0.06434570341838575,
"volume": 46.62315959922817,
"volume_molar": 9.359040992749907,
"formula_full": "B2 Te1",
"formula_reduced": "B2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 3.626237644444445,
"spacegroup": 191
},
{
"id": "jvasp-117703",
"created_at": "2022-09-04T14:38:51.546685Z",
"updated_at": "2022-09-04T14:38:51.546700Z",
"structure_string": "Be2 S1\n1.0\n3.250299 -0.604954 -0.013767\n2.612582 -3.755089 -0.586258\n0.618913 0.159771 -4.263215\nBe S\n2 1\ndirect\n0.439741 0.346753 0.337151 Be\n0.467431 0.008477 0.760733 Be\n0.040053 0.886368 0.047938 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"S"
],
"chemical_system": "Be-S",
"density": 1.816791034568306,
"density_atomic": 0.06552870992007803,
"volume": 45.7814598159943,
"volume_molar": 9.190079840340047,
"formula_full": "Be2 S1",
"formula_reduced": "Be2S",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5742774000000002,
"spacegroup": 5
},
{
"id": "jvasp-123726",
"created_at": "2022-09-04T14:38:55.342001Z",
"updated_at": "2022-09-04T14:38:55.342024Z",
"structure_string": "Zn1 Se2\n1.0\n2.181022 -3.468351 -0.668408\n1.913170 3.313707 -0.000000\n-0.840306 0.485151 5.195433\nZn Se\n1 2\ndirect\n-0.000000 0.333274 0.166667 Zn\n0.786012 0.726369 0.426765 Se\n0.213986 -0.059645 0.906567 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zn",
"Se"
],
"chemical_system": "Se-Zn",
"density": 5.332720524658996,
"density_atomic": 0.043139574767722386,
"volume": 69.54171468200565,
"volume_molar": 13.959666483559888,
"formula_full": "Zn1 Se2",
"formula_reduced": "ZnSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-29661",
"created_at": "2022-09-04T14:38:15.359182Z",
"updated_at": "2022-09-04T14:38:15.359218Z",
"structure_string": "Cd7 I14\n1.0\n4.286541 -0.000000 0.000000\n-2.143271 3.712254 0.000000\n-0.000000 0.000000 48.133097\nCd I\n7 14\ndirect\n0.666667 0.333333 0.321419 Cd\n0.666667 0.333333 0.464258 Cd\n0.000000 -0.000000 0.607160 Cd\n0.000000 -0.000000 0.749962 Cd\n0.666667 0.333333 0.892845 Cd\n0.666667 0.333333 0.178598 Cd\n0.666667 0.333333 0.035726 Cd\n0.333333 0.666666 0.500297 I\n0.333333 0.666666 0.928873 I\n0.333333 0.666666 0.786001 I\n-0.000000 0.000000 -0.000297 I\n0.333333 0.666666 0.643183 I\n0.000000 -0.000000 0.856833 I\n0.333333 0.666666 0.071749 I\n0.333333 0.666666 0.214622 I\n0.666667 0.333333 0.713954 I\n0.000000 -0.000000 0.428252 I\n0.666667 0.333333 0.571142 I\n0.000000 -0.000000 0.142579 I\n0.333333 0.666666 0.357442 I\n0.000000 -0.000000 0.285402 I\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.5577710543720595,
"density_atomic": 0.02741768753458528,
"volume": 765.9289272120465,
"volume_molar": 21.96443719917494,
"formula_full": "Cd7 I14",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 9.666666666668931e-05,
"spacegroup": 156
},
{
"id": "jvasp-20584",
"created_at": "2022-09-04T14:38:15.363416Z",
"updated_at": "2022-09-04T14:38:15.363439Z",
"structure_string": "Ce2 Pt4\n1.0\n4.752350 0.000000 2.743771\n1.584116 4.480559 2.743771\n-0.000000 -0.000000 5.487541\nCe Pt\n2 4\ndirect\n0.125000 0.125000 0.125000 Ce\n0.875001 0.875000 0.874999 Ce\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 -0.000000 Pt\n0.500000 0.500000 0.499999 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Pt"
],
"chemical_system": "Ce-Pt",
"density": 15.07194220661385,
"density_atomic": 0.05134910209973156,
"volume": 116.8472233135965,
"volume_molar": 11.727840436827195,
"formula_full": "Ce2 Pt4",
"formula_reduced": "CePt2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8530594333333337,
"spacegroup": 227
},
{
"id": "jvasp-57661",
"created_at": "2022-09-04T14:37:55.095002Z",
"updated_at": "2022-09-04T14:37:55.095032Z",
"structure_string": "Mg4 F8\n1.0\n4.975400 0.000000 0.000000\n-0.000000 4.975400 0.000000\n-0.000000 -0.000000 4.975400\nMg F\n4 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.341024 0.158976 0.841024 F\n0.158976 0.841024 0.341024 F\n0.841024 0.341024 0.158976 F\n0.658976 0.658976 0.658976 F\n0.341024 0.341024 0.341024 F\n0.158976 0.658976 0.841024 F\n0.841024 0.158976 0.658976 F\n0.658976 0.841024 0.158976 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"F"
],
"chemical_system": "F-Mg",
"density": 3.3598951296682498,
"density_atomic": 0.09743101806768645,
"volume": 123.16406251306398,
"volume_molar": 6.180927675225922,
"formula_full": "Mg4 F8",
"formula_reduced": "MgF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0182366666666666,
"spacegroup": 205
}
]
}