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=updated_at&page=1215",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1213",
"results": [
{
"id": "jvasp-86754",
"created_at": "2022-09-04T14:36:21.260917Z",
"updated_at": "2022-09-04T14:36:21.260942Z",
"structure_string": "Rb8 Te4\n1.0\n5.553327 0.000000 0.000000\n0.000000 8.888047 0.000000\n0.000000 0.000000 10.975667\nRb Te\n8 4\ndirect\n0.250000 0.030861 0.179403 Rb\n0.750000 0.969139 0.820597 Rb\n0.750000 0.347256 0.071000 Rb\n0.250000 0.152745 0.571000 Rb\n0.250000 0.652745 0.929000 Rb\n0.250000 0.530862 0.320597 Rb\n0.750000 0.847256 0.429000 Rb\n0.750000 0.469139 0.679403 Rb\n0.250000 0.246568 0.884922 Te\n0.750000 0.253432 0.384922 Te\n0.250000 0.746568 0.615079 Te\n0.750000 0.753432 0.115078 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Rb",
"Te"
],
"chemical_system": "Rb-Te",
"density": 3.6602833367254184,
"density_atomic": 0.02215086724952781,
"volume": 541.7395113618319,
"volume_molar": 27.186929938954755,
"formula_full": "Rb8 Te4",
"formula_reduced": "Rb2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 4.000000000001225e-05,
"spacegroup": 62
},
{
"id": "jvasp-65727",
"created_at": "2022-09-04T14:36:21.265974Z",
"updated_at": "2022-09-04T14:36:21.266005Z",
"structure_string": "Ba1 Cd2 Bi1\n1.0\n4.237938 0.000000 -0.000000\n-0.000000 4.237938 -0.000000\n-0.000000 -0.000000 7.237204\nBa Cd Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.712189 Cd\n0.000000 0.000000 0.287811 Cd\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Bi"
],
"chemical_system": "Ba-Bi-Cd",
"density": 7.2963154521960485,
"density_atomic": 0.030773718668779565,
"volume": 129.98104138964734,
"volume_molar": 19.569103184496058,
"formula_full": "Ba1 Cd2 Bi1",
"formula_reduced": "BaCd2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-93957",
"created_at": "2022-09-04T14:36:21.269216Z",
"updated_at": "2022-09-04T14:36:21.269242Z",
"structure_string": "Nb2 O4\n1.0\n5.291576 0.019601 0.000000\n2.136099 4.841307 0.000000\n-3.713838 -2.430453 2.881227\nNb O\n2 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750000 0.250001 0.500000 Nb\n0.505114 0.005114 0.500000 O\n0.244886 0.244886 -0.000000 O\n0.994887 0.494887 0.500000 O\n0.755114 0.755114 -0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 5.6291754712609015,
"density_atomic": 0.08142101167234414,
"volume": 73.69105193810788,
"volume_molar": 7.39629812539594,
"formula_full": "Nb2 O4",
"formula_reduced": "NbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1860221333333336,
"spacegroup": 141
},
{
"id": "jvasp-42237",
"created_at": "2022-09-04T14:36:21.274603Z",
"updated_at": "2022-09-04T14:36:21.274621Z",
"structure_string": "Mn6 O7 F5\n1.0\n-4.811050 4.811050 2.946316\n-0.192839 4.653739 -3.001744\n-4.653739 0.192839 -3.001744\nMn O F\n6 7 5\ndirect\n0.839336 0.681654 0.695941 Mn\n0.682703 0.331305 0.340802 Mn\n0.317299 0.659197 0.668694 Mn\n0.160665 0.304058 0.318345 Mn\n0.500001 0.997058 0.002941 Mn\n0.000001 0.024571 0.975429 Mn\n0.000001 0.320384 0.679615 O\n0.668754 0.638460 0.040695 O\n0.331247 0.959304 0.361539 O\n0.962920 0.226924 0.220395 O\n0.330356 0.352671 0.967162 O\n0.669646 0.032837 0.647328 O\n0.037081 0.779604 0.773075 O\n0.380043 0.417359 0.420028 F\n0.296126 0.895863 0.903878 F\n0.619958 0.579971 0.582640 F\n0.703876 0.096121 0.104135 F\n0.000001 0.702650 0.297350 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.627883151397566,
"density_atomic": 0.09348503723893863,
"volume": 192.54418173887825,
"volume_molar": 6.441823138614147,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.7876410755986587,
"spacegroup": 5
},
{
"id": "jvasp-105975",
"created_at": "2022-09-04T14:36:21.277856Z",
"updated_at": "2022-09-04T14:36:21.277888Z",
"structure_string": "Tm2 In1 Ag1\n1.0\n3.569240 -0.000000 -0.000000\n0.000000 3.569240 0.000000\n0.000000 -0.000000 7.523073\nTm In Ag\n2 1 1\ndirect\n0.000000 0.000000 0.765125 Tm\n0.000000 0.000000 0.234875 Tm\n0.500000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"In",
"Ag"
],
"chemical_system": "Ag-In-Tm",
"density": 9.712258990117805,
"density_atomic": 0.04173622956226979,
"volume": 95.83999421969978,
"volume_molar": 14.429048390715462,
"formula_full": "Tm2 In1 Ag1",
"formula_reduced": "Tm2InAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3845240900000001,
"spacegroup": 123
},
{
"id": "jvasp-92900",
"created_at": "2022-09-04T14:36:21.282621Z",
"updated_at": "2022-09-04T14:36:21.282647Z",
"structure_string": "Ba1 Mg6 B1\n1.0\n8.611170 -1.380198 0.000000\n-5.500871 6.767394 0.000000\n0.000000 0.000000 3.964940\nBa Mg B\n1 6 1\ndirect\n0.224617 0.275383 0.250000 Ba\n0.184913 0.858906 0.250000 Mg\n0.641093 0.315086 0.250000 Mg\n0.647519 0.852480 0.250000 Mg\n0.290452 0.703801 0.750000 Mg\n0.796198 0.209547 0.750000 Mg\n0.803481 0.696518 0.750000 Mg\n0.411723 0.088277 0.750000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"B"
],
"chemical_system": "B-Ba-Mg",
"density": 2.4291323222558048,
"density_atomic": 0.03980998414615322,
"volume": 200.95461406439742,
"volume_molar": 15.127212153340963,
"formula_full": "Ba1 Mg6 B1",
"formula_reduced": "BaMg6B",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-74549",
"created_at": "2022-09-04T14:36:21.284600Z",
"updated_at": "2022-09-04T14:36:21.284626Z",
"structure_string": "Y1 Be1 Cd2\n1.0\n-2.420507 2.420507 3.421587\n2.420507 -2.420507 3.421587\n2.420507 2.420507 -3.421587\nY Be Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Y\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750001 0.500001 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Cd"
],
"chemical_system": "Be-Cd-Y",
"density": 6.683464887895478,
"density_atomic": 0.04988382269644604,
"volume": 80.18631660089231,
"volume_molar": 12.072332139912456,
"formula_full": "Y1 Be1 Cd2",
"formula_reduced": "YBeCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2279202624999999,
"spacegroup": 216
},
{
"id": "jvasp-94793",
"created_at": "2022-09-04T14:36:21.285603Z",
"updated_at": "2022-09-04T14:36:21.285625Z",
"structure_string": "Na3 P1 Se4\n1.0\n-3.646479 -3.646479 3.646479\n-3.646479 3.646479 -3.646479\n3.646479 -3.646479 -3.646479\nNa P Se\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 P\n0.356541 0.000000 0.000000 Se\n0.000000 0.356541 0.000000 Se\n0.000000 0.000000 0.356541 Se\n0.643459 0.643459 0.643459 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"P",
"Se"
],
"chemical_system": "Na-P-Se",
"density": 3.5598750699285997,
"density_atomic": 0.04124856507463496,
"volume": 193.94614056331022,
"volume_molar": 14.5996369791375,
"formula_full": "Na3 P1 Se4",
"formula_reduced": "Na3PSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.8352182458333333,
"spacegroup": 217
},
{
"id": "jvasp-91973",
"created_at": "2022-09-04T14:36:21.285612Z",
"updated_at": "2022-09-04T14:36:21.285639Z",
"structure_string": "Cr2 F6\n1.0\n4.286610 -0.050636 3.075310\n1.551089 3.996462 3.075310\n-0.074914 -0.050636 5.275125\nCr F\n2 6\ndirect\n0.500001 0.499999 0.500001 Cr\n0.000000 0.000000 0.000000 Cr\n0.390985 0.749999 0.109016 F\n0.750001 0.109014 0.390985 F\n0.890985 0.609014 0.250000 F\n0.250001 0.890983 0.609016 F\n0.609017 0.249999 0.890985 F\n0.109017 0.390984 0.750001 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 3.928366181472392,
"density_atomic": 0.08682224003601059,
"volume": 92.14228977139845,
"volume_molar": 6.936172986900872,
"formula_full": "Cr2 F6",
"formula_reduced": "CrF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3960720618750002,
"spacegroup": 167
},
{
"id": "jvasp-85601",
"created_at": "2022-09-04T14:36:21.287133Z",
"updated_at": "2022-09-04T14:36:21.287159Z",
"structure_string": "Eu1 As2 Rh2\n1.0\n3.915544 0.000065 -1.324748\n-0.446671 3.890862 -1.321802\n-0.129508 -0.150232 6.063177\nEu As Rh\n1 2 2\ndirect\n0.000801 0.001788 0.001007 Eu\n0.621216 0.622107 0.241661 As\n0.380388 0.381343 0.760303 As\n0.250787 0.751705 0.500955 Rh\n0.750820 0.251762 0.501016 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"As",
"Rh"
],
"chemical_system": "As-Eu-Rh",
"density": 9.279399741099542,
"density_atomic": 0.05504319134786792,
"volume": 90.83775627035247,
"volume_molar": 10.940755091652704,
"formula_full": "Eu1 As2 Rh2",
"formula_reduced": "Eu(AsRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.3855959,
"spacegroup": 139
},
{
"id": "jvasp-61096",
"created_at": "2022-09-04T14:36:21.288361Z",
"updated_at": "2022-09-04T14:36:21.288377Z",
"structure_string": "Co1 As2 O6\n1.0\n2.430004 -4.208891 -0.000000\n2.430004 4.208891 -0.000000\n0.000000 0.000000 4.458733\nCo As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.666666 0.333332 0.500000 As\n0.333332 0.666666 0.500000 As\n0.359030 0.359030 0.270488 O\n0.640968 -0.000000 0.270488 O\n-0.000000 0.640968 0.270488 O\n0.359031 -0.000000 0.729511 O\n0.640968 0.640968 0.729511 O\n-0.000000 0.359031 0.729511 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"As",
"O"
],
"chemical_system": "As-Co-O",
"density": 5.548928974812512,
"density_atomic": 0.09867937270647895,
"volume": 91.20447113877013,
"volume_molar": 6.102735145989236,
"formula_full": "Co1 As2 O6",
"formula_reduced": "Co(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.8144539333333336,
"spacegroup": 162
},
{
"id": "jvasp-28570",
"created_at": "2022-09-04T14:36:21.289035Z",
"updated_at": "2022-09-04T14:36:21.289063Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n3.353219 0.000000 -0.000000\n-1.676610 2.904019 0.001291\n0.000000 -0.002903 20.673307\nTe W Se S\n2 3 2 2\ndirect\n0.666480 0.332957 0.574765 Te\n0.666267 0.332532 0.759570 Te\n0.333378 0.666756 0.032938 W\n0.333040 0.666080 0.667200 W\n0.666894 0.333787 0.340807 W\n0.666813 0.333625 -0.047971 Se\n0.666611 0.333222 0.113881 Se\n0.333490 0.666981 0.414534 S\n0.333631 0.667261 0.267116 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 8.485863388185914,
"density_atomic": 0.0447065499871707,
"volume": 201.31278308397097,
"volume_molar": 13.470376850211334,
"formula_full": "Te2 W3 Se2 S2",
"formula_reduced": "Te2W3(SeS)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 4.188034696296296,
"spacegroup": 156
}
]
}