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_full&page=4616",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4614",
"results": [
{
"id": "jvasp-10219",
"created_at": "2022-09-04T14:38:12.383079Z",
"updated_at": "2022-09-04T14:38:12.383105Z",
"structure_string": "Zr2 P4 S12\n1.0\n6.724926 -0.000000 0.000000\n0.000000 6.724926 0.000000\n0.000000 0.000000 9.558102\nZr P S\n2 4 12\ndirect\n0.000000 0.000000 0.750000 Zr\n0.000000 0.000000 0.250000 Zr\n0.657268 0.059192 0.000000 P\n0.342733 0.940808 0.000000 P\n0.059192 0.342733 0.500000 P\n0.940808 0.657268 0.500000 P\n0.784929 0.692380 0.320565 S\n0.307620 0.784929 0.820565 S\n0.692380 0.215071 0.820565 S\n0.215071 0.307620 0.320565 S\n0.841356 0.816324 0.000000 S\n0.158644 0.183676 0.000000 S\n0.816324 0.158644 0.500000 S\n0.784929 0.692380 0.679435 S\n0.692380 0.215071 0.179435 S\n0.215071 0.307620 0.679435 S\n0.183676 0.841356 0.500000 S\n0.307620 0.784929 0.179435 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"P",
"S"
],
"chemical_system": "P-S-Zr",
"density": 2.654958845004864,
"density_atomic": 0.04164144817794139,
"volume": 432.2616236371695,
"volume_molar": 14.461890792717655,
"formula_full": "Zr2 P4 S12",
"formula_reduced": "Zr(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.764638388888889,
"spacegroup": 84
},
{
"id": "jvasp-21474",
"created_at": "2022-09-04T14:37:52.038134Z",
"updated_at": "2022-09-04T14:37:52.038171Z",
"structure_string": "Zr2 Pb2 F12\n1.0\n5.348324 0.000000 -0.000000\n0.000000 6.314205 -2.519373\n-0.000000 -0.009522 6.798260\nZr Pb F\n2 2 12\ndirect\n0.000000 0.750000 0.750000 Zr\n0.000000 0.250000 0.250000 Zr\n0.463159 0.750000 0.250000 Pb\n0.536840 0.250000 0.750000 Pb\n0.743089 0.440849 0.184228 F\n0.743089 0.059151 0.315772 F\n0.256910 0.184228 0.440849 F\n0.256910 0.315771 0.059151 F\n0.838074 0.429468 0.570532 F\n0.838074 0.070532 0.929468 F\n0.161925 0.570532 0.429468 F\n0.161925 0.929467 0.070532 F\n0.743089 0.684228 0.940850 F\n0.743089 0.815771 0.559151 F\n0.256910 0.940849 0.684229 F\n0.256910 0.559151 0.815772 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"F"
],
"chemical_system": "F-Pb-Zr",
"density": 5.969274570105444,
"density_atomic": 0.06973143524596973,
"volume": 229.45175219127233,
"volume_molar": 8.636192183278004,
"formula_full": "Zr2 Pb2 F12",
"formula_reduced": "ZrPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.108234626875,
"spacegroup": 67
},
{
"id": "jvasp-100450",
"created_at": "2022-09-04T14:36:41.309266Z",
"updated_at": "2022-09-04T14:36:41.309282Z",
"structure_string": "Zr2 Pb2 N4\n1.0\n4.058386 -0.000000 0.000000\n0.000000 4.058386 -0.000000\n0.000000 0.000000 8.097622\nZr Pb N\n2 2 4\ndirect\n0.750001 0.750001 0.599144 Zr\n0.250000 0.250000 0.400855 Zr\n0.750001 0.750001 0.136495 Pb\n0.250000 0.250000 0.863505 Pb\n0.750001 0.250000 0.500000 N\n0.250000 0.750001 0.500000 N\n0.750001 0.750001 0.853558 N\n0.250000 0.250000 0.146442 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"N"
],
"chemical_system": "N-Pb-Zr",
"density": 8.128582185307609,
"density_atomic": 0.05998266879477342,
"volume": 133.37185825077992,
"volume_molar": 10.039801297612053,
"formula_full": "Zr2 Pb2 N4",
"formula_reduced": "ZrPbN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.507560455,
"spacegroup": 129
},
{
"id": "jvasp-29255",
"created_at": "2022-09-04T14:37:38.893993Z",
"updated_at": "2022-09-04T14:37:38.894018Z",
"structure_string": "Zr2 Pb6 F20\n1.0\n6.040511 0.000000 0.000000\n-0.000000 8.180523 -1.519507\n0.000000 -0.044039 8.320332\nZr Pb F\n2 6 20\ndirect\n0.750000 0.818204 0.181796 Zr\n0.250000 0.181796 0.818204 Zr\n0.750000 0.388698 0.611302 Pb\n0.750000 0.321724 0.108721 Pb\n0.250000 0.678275 0.891278 Pb\n0.250000 0.108721 0.321724 Pb\n0.750000 0.891278 0.678275 Pb\n0.250000 0.611302 0.388698 Pb\n0.461904 0.152911 0.604575 F\n0.961904 0.847088 0.395425 F\n0.538096 0.604575 0.152911 F\n0.038096 0.395425 0.847088 F\n0.538096 0.847088 0.395425 F\n0.038096 0.152911 0.604575 F\n0.750000 0.077424 0.258149 F\n0.500000 0.363720 0.363720 F\n0.000000 0.636279 0.636279 F\n0.500000 0.636279 0.636279 F\n0.000000 0.363720 0.363720 F\n0.954283 0.100974 0.899026 F\n0.454283 0.899025 0.100974 F\n0.045717 0.899025 0.100974 F\n0.545717 0.100974 0.899026 F\n0.750000 0.741851 0.922576 F\n0.250000 0.258149 0.077424 F\n0.250000 0.922576 0.741851 F\n0.961904 0.604575 0.152911 F\n0.461904 0.395425 0.847088 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"F"
],
"chemical_system": "F-Pb-Zr",
"density": 7.299721432049142,
"density_atomic": 0.06816945330731447,
"volume": 410.74115518828205,
"volume_molar": 8.834075187388711,
"formula_full": "Zr2 Pb6 F20",
"formula_reduced": "ZrPb3F10",
"formula_anonymous": "AB3C10",
"energy_above_hull": 0.0989456989285711,
"spacegroup": 63
},
{
"id": "jvasp-14631",
"created_at": "2022-09-04T14:35:49.818411Z",
"updated_at": "2022-09-04T14:35:49.818447Z",
"structure_string": "Zr2 Pd1\n1.0\n3.207078 0.000000 -0.931312\n-0.270446 3.195655 -0.931312\n-0.022556 -0.024546 5.909950\nZr Pd\n2 1\ndirect\n0.656475 0.656474 0.312953 Zr\n0.343523 0.343523 0.687047 Zr\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 7.938673288491605,
"density_atomic": 0.04965015994239919,
"volume": 60.42276607931173,
"volume_molar": 12.12914674793895,
"formula_full": "Zr2 Pd1",
"formula_reduced": "Zr2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8744382333333336,
"spacegroup": 139
},
{
"id": "jvasp-79768",
"created_at": "2022-09-04T14:37:14.597327Z",
"updated_at": "2022-09-04T14:37:14.597351Z",
"structure_string": "Zr2 Pd2\n1.0\n-3.398228 -0.000000 -0.000000\n0.000000 -0.000000 -4.351229\n1.699114 -5.196806 -0.000000\nZr Pd\n2 2\ndirect\n0.858453 0.750000 0.716904 Zr\n0.141550 0.250000 0.283097 Zr\n0.589345 0.750000 0.178689 Pd\n0.410658 0.250000 0.821312 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 8.542043307826013,
"density_atomic": 0.05205459026888882,
"volume": 76.84240677600066,
"volume_molar": 11.568894748556342,
"formula_full": "Zr2 Pd2",
"formula_reduced": "ZrPd",
"formula_anonymous": "AB",
"energy_above_hull": 1.6481051000000004,
"spacegroup": 63
},
{
"id": "jvasp-79585",
"created_at": "2022-09-04T14:37:13.047020Z",
"updated_at": "2022-09-04T14:37:13.047059Z",
"structure_string": "Zr2 Pt2\n1.0\n-3.470388 0.000000 0.000000\n-0.000000 -0.000000 -4.291826\n1.735193 -5.204848 -0.000000\nZr Pt\n2 2\ndirect\n0.858632 0.750001 0.717261 Zr\n0.141370 0.250000 0.282739 Zr\n0.593091 0.750001 0.186181 Pt\n0.406911 0.250000 0.813819 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Pt"
],
"chemical_system": "Pt-Zr",
"density": 12.265475403332298,
"density_atomic": 0.051597873194399624,
"volume": 77.52257510555988,
"volume_molar": 11.671296484083836,
"formula_full": "Zr2 Pt2",
"formula_reduced": "ZrPt",
"formula_anonymous": "AB",
"energy_above_hull": 1.7315179500000006,
"spacegroup": 63
},
{
"id": "jvasp-36666",
"created_at": "2022-09-04T14:37:32.554867Z",
"updated_at": "2022-09-04T14:37:32.554893Z",
"structure_string": "Zr2 Rh2\n1.0\n0.000000 3.290753 -0.002065\n4.658328 0.000000 0.000000\n0.000000 -0.002948 -4.658525\nZr Rh\n2 2\ndirect\n0.499998 0.250000 0.250007 Zr\n0.500000 0.750000 0.749991 Zr\n-0.000065 0.750000 0.250029 Rh\n0.000065 0.250000 0.749970 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Rh"
],
"chemical_system": "Rh-Zr",
"density": 9.028106543135312,
"density_atomic": 0.056012639416293204,
"volume": 71.41245336202569,
"volume_molar": 10.75139615407635,
"formula_full": "Zr2 Rh2",
"formula_reduced": "ZrRh",
"formula_anonymous": "AB",
"energy_above_hull": 2.00350375,
"spacegroup": 221
},
{
"id": "jvasp-34290",
"created_at": "2022-09-04T14:37:12.838634Z",
"updated_at": "2022-09-04T14:37:12.838661Z",
"structure_string": "Zr2 S1 N2\n1.0\n1.814621 -3.143017 0.000000\n1.814621 3.143017 -0.000000\n0.000000 -0.000000 6.453784\nZr S N\n2 1 2\ndirect\n0.666667 0.333332 0.294991 Zr\n0.333332 0.666667 0.705008 Zr\n0.000000 0.000000 0.000000 S\n0.333332 0.666667 0.365066 N\n0.666667 0.333332 0.634934 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"S",
"N"
],
"chemical_system": "N-S-Zr",
"density": 5.470550525340306,
"density_atomic": 0.06791925602671742,
"volume": 73.61682522012828,
"volume_molar": 8.866617675598608,
"formula_full": "Zr2 S1 N2",
"formula_reduced": "Zr2SN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0565411000000005,
"spacegroup": 164
},
{
"id": "jvasp-114389",
"created_at": "2022-09-04T14:38:40.477074Z",
"updated_at": "2022-09-04T14:38:40.477106Z",
"structure_string": "Zr2 S1 O2\n1.0\n3.651997 -0.000000 -0.000000\n-1.825998 3.162722 0.000000\n-0.000000 0.000000 6.139950\nZr S O\n2 1 2\ndirect\n0.666668 0.333333 0.270281 Zr\n0.333334 0.666667 0.729718 Zr\n0.000000 0.000000 0.000000 S\n0.333334 0.666667 0.369063 O\n0.666668 0.333333 0.630936 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"S",
"O"
],
"chemical_system": "O-S-Zr",
"density": 5.772056109245797,
"density_atomic": 0.07050399692125994,
"volume": 70.91796519825797,
"volume_molar": 8.541559376733815,
"formula_full": "Zr2 S1 O2",
"formula_reduced": "Zr2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.7316652,
"spacegroup": 164
},
{
"id": "jvasp-14933",
"created_at": "2022-09-04T14:36:10.121212Z",
"updated_at": "2022-09-04T14:36:10.121239Z",
"structure_string": "Zr2 S2\n1.0\n3.621786 0.000000 0.000000\n0.000000 3.621786 -0.000000\n0.000000 0.000000 5.518341\nZr S\n2 2\ndirect\n0.500001 0.000000 0.810708 Zr\n0.000000 0.500001 0.189291 Zr\n0.500001 0.000000 0.296027 S\n0.000000 0.500001 0.703973 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 5.65651988445274,
"density_atomic": 0.055259364529982806,
"volume": 72.3859210836503,
"volume_molar": 10.897955145199846,
"formula_full": "Zr2 S2",
"formula_reduced": "ZrS",
"formula_anonymous": "AB",
"energy_above_hull": 1.2748222500000002,
"spacegroup": 129
},
{
"id": "jvasp-353",
"created_at": "2022-09-04T14:37:51.027665Z",
"updated_at": "2022-09-04T14:37:51.027693Z",
"structure_string": "Zr2 S2\n1.0\n3.621791 0.000000 0.000000\n0.000000 3.621791 0.000000\n0.000000 0.000000 5.518336\nZr S\n2 2\ndirect\n0.000000 0.500000 0.810710 Zr\n0.500000 0.000000 0.189291 Zr\n0.000000 0.500000 0.296027 S\n0.500000 0.000000 0.703973 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 5.656509391635174,
"density_atomic": 0.05525926202412361,
"volume": 72.38605535943978,
"volume_molar": 10.897975360892469,
"formula_full": "Zr2 S2",
"formula_reduced": "ZrS",
"formula_anonymous": "AB",
"energy_above_hull": 1.2748222500000002,
"spacegroup": 129
}
]
}