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=1118",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1116",
"results": [
{
"id": "jvasp-9582",
"created_at": "2022-09-04T14:38:11.943675Z",
"updated_at": "2022-09-04T14:38:11.943695Z",
"structure_string": "Ta4 N4 O4\n1.0\n0.000000 5.001667 -0.007149\n5.067416 0.000000 0.000000\n0.000000 -0.872501 -5.151402\nTa N O\n4 4 4\ndirect\n0.706703 0.544908 0.283715 Ta\n0.293298 0.044908 0.216285 Ta\n0.293298 0.455093 0.716284 Ta\n0.706703 0.955093 0.783715 Ta\n0.557149 0.256093 0.020419 N\n0.442852 0.756094 0.479581 N\n0.442852 0.743908 0.979581 N\n0.557149 0.243907 0.520418 N\n0.937202 0.673574 0.653825 O\n0.062799 0.173573 0.846174 O\n0.062799 0.326427 0.346175 O\n0.937202 0.826427 0.153825 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Ta",
"density": 10.729140030630877,
"density_atomic": 0.09188600023645704,
"volume": 130.5966085053165,
"volume_molar": 6.553926326646911,
"formula_full": "Ta4 N4 O4",
"formula_reduced": "TaNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.514868649999999,
"spacegroup": 14
},
{
"id": "jvasp-9251",
"created_at": "2022-09-04T14:38:11.942075Z",
"updated_at": "2022-09-04T14:38:11.942111Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.398701 -0.073667 -0.141552\n-0.039636 7.947599 -0.635557\n-0.346786 0.529798 8.927444\nZn Sn O\n4 4 8\ndirect\n0.278870 0.618788 0.948397 Zn\n0.696886 0.353007 0.071683 Zn\n0.778501 0.872545 0.137614 Zn\n0.197262 0.099253 0.882472 Zn\n-0.084962 0.370740 0.687659 Sn\n0.639571 0.834898 0.682539 Sn\n0.336196 0.136898 0.337543 Sn\n0.060718 0.601055 0.332423 Sn\n0.421309 0.405627 0.263066 O\n0.667174 0.120508 0.765241 O\n0.308587 0.851291 0.254845 O\n0.554455 0.566172 0.757014 O\n0.152314 0.344236 0.939394 O\n0.180484 0.849527 0.849931 O\n0.823442 0.627565 0.080687 O\n0.795281 0.122271 0.170150 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 5.935234862553389,
"density_atomic": 0.06615432842330936,
"volume": 241.85870193736906,
"volume_molar": 9.103169669360756,
"formula_full": "Zn4 Sn4 O8",
"formula_reduced": "ZnSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5801147749999999,
"spacegroup": 2
},
{
"id": "jvasp-44766",
"created_at": "2022-09-04T14:38:11.937974Z",
"updated_at": "2022-09-04T14:38:11.937993Z",
"structure_string": "Ti1 Fe1 O4\n1.0\n5.333030 0.183985 0.000000\n2.499426 4.714651 0.000000\n-3.916228 -2.449318 2.671903\nTi Fe O\n1 1 4\ndirect\n0.750000 0.249999 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n0.533887 0.033886 0.500000 O\n0.203141 0.203141 -0.000000 O\n0.966114 0.466112 0.500000 O\n0.796860 0.796858 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.222593452153548,
"density_atomic": 0.09097530069803064,
"volume": 65.95196667626824,
"volume_molar": 6.619533778721945,
"formula_full": "Ti1 Fe1 O4",
"formula_reduced": "TiFeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.756032972222222,
"spacegroup": 119
},
{
"id": "jvasp-64255",
"created_at": "2022-09-04T14:38:11.931343Z",
"updated_at": "2022-09-04T14:38:11.931363Z",
"structure_string": "Ba4 Sc1 V1\n1.0\n0.000000 4.945584 4.945584\n4.945584 0.000000 4.945584\n4.945584 4.945584 0.000000\nBa Sc V\n4 1 1\ndirect\n0.123200 0.625600 0.625600 Ba\n0.625600 0.625600 0.625600 Ba\n0.625600 0.123200 0.625600 Ba\n0.625600 0.625600 0.123200 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"V"
],
"chemical_system": "Ba-Sc-V",
"density": 4.428578582119955,
"density_atomic": 0.024800960842650842,
"volume": 241.92611076912988,
"volume_molar": 24.2818848761842,
"formula_full": "Ba4 Sc1 V1",
"formula_reduced": "Ba4ScV",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3058055549999998,
"spacegroup": 216
},
{
"id": "jvasp-38160",
"created_at": "2022-09-04T14:38:11.929989Z",
"updated_at": "2022-09-04T14:38:11.930015Z",
"structure_string": "Nd1 P3\n1.0\n-2.011803 2.011803 4.893028\n2.011803 -2.011803 4.893028\n2.011803 2.011803 -4.893028\nNd P\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.749999 0.250000 0.499999 P\n0.250000 0.749999 0.499999 P\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"P"
],
"chemical_system": "Nd-P",
"density": 4.971505924982393,
"density_atomic": 0.05049535108864075,
"volume": 79.21521315850056,
"volume_molar": 11.926129099347362,
"formula_full": "Nd1 P3",
"formula_reduced": "NdP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.546717,
"spacegroup": 139
},
{
"id": "jvasp-59143",
"created_at": "2022-09-04T14:38:11.928139Z",
"updated_at": "2022-09-04T14:38:11.928169Z",
"structure_string": "Hg8 O2 F12\n1.0\n3.930702 -6.808176 -0.000000\n3.930702 6.808176 0.000000\n-0.000000 0.000000 6.113729\nHg O F\n8 2 12\ndirect\n0.666667 0.333333 0.475669 Hg\n0.333333 0.666667 0.975669 Hg\n0.364050 0.182024 0.001069 Hg\n0.182024 0.364050 0.501069 Hg\n0.182024 0.817975 0.501069 Hg\n0.817975 0.182024 0.001069 Hg\n0.817975 0.635950 0.001069 Hg\n0.635950 0.817975 0.501069 Hg\n0.666667 0.333333 0.126222 O\n0.333333 0.666667 0.626222 O\n0.923406 0.461702 0.725340 F\n0.076593 0.538297 0.225340 F\n0.461702 0.538297 0.225340 F\n0.538297 0.076593 0.725340 F\n0.746369 0.873184 0.896594 F\n0.253631 0.126816 0.396594 F\n0.873184 0.126815 0.396594 F\n0.126815 0.873184 0.896594 F\n0.126816 0.253631 0.896594 F\n0.538297 0.461702 0.725340 F\n0.873184 0.746369 0.396594 F\n0.461702 0.923406 0.225340 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-O",
"density": 9.462827217120678,
"density_atomic": 0.06723348250704356,
"volume": 327.2179155333092,
"volume_molar": 8.957056120615357,
"formula_full": "Hg8 O2 F12",
"formula_reduced": "Hg4OF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-97434",
"created_at": "2022-09-04T14:38:11.925573Z",
"updated_at": "2022-09-04T14:38:11.925586Z",
"structure_string": "Li18 Ta6 O24\n1.0\n6.016368 0.000000 0.000000\n0.000000 5.873939 -1.408941\n0.000000 -0.014448 12.821677\nLi Ta O\n18 6 24\ndirect\n0.123037 0.173735 0.091646 Li\n0.119907 0.500000 0.750000 Li\n0.832865 -0.000000 0.250000 Li\n0.880093 0.500000 0.250000 Li\n0.876963 0.173735 0.591646 Li\n0.374512 0.875989 0.917217 Li\n0.391324 -0.000000 0.250000 Li\n0.375129 0.324723 0.924734 Li\n0.375129 0.675277 0.575267 Li\n0.167136 -0.000000 0.750000 Li\n0.624871 0.675277 0.075266 Li\n0.625488 0.124011 0.082783 Li\n0.374512 0.124011 0.582783 Li\n0.608676 -0.000000 0.750000 Li\n0.123037 0.826265 0.408354 Li\n0.624871 0.324723 0.424734 Li\n0.876963 0.826265 0.908354 Li\n0.625488 0.875989 0.417217 Li\n0.589733 0.500000 0.750000 Ta\n0.122951 0.699211 0.083548 Ta\n0.877049 0.300788 0.916452 Ta\n0.410267 0.500000 0.250000 Ta\n0.877049 0.699211 0.583548 Ta\n0.122951 0.300788 0.416452 Ta\n0.885266 0.091836 0.412020 O\n0.112113 0.429032 0.575393 O\n0.114734 0.908164 0.587980 O\n0.640491 0.565185 0.908848 O\n0.887887 0.429032 0.075393 O\n0.860926 0.729649 0.742353 O\n0.114734 0.091836 0.912021 O\n0.615054 0.258567 0.245253 O\n0.139075 0.270350 0.257648 O\n0.112113 0.570967 0.924607 O\n0.384946 0.741433 0.754747 O\n0.615054 0.741433 0.254747 O\n0.638034 0.095370 0.920522 O\n0.359510 0.434815 0.091152 O\n0.361967 0.904630 0.079478 O\n0.887887 0.570967 0.424607 O\n0.139075 0.729649 0.242352 O\n0.640491 0.434815 0.591152 O\n0.885266 0.908164 0.087980 O\n0.359510 0.565185 0.408848 O\n0.638034 0.904629 0.579478 O\n0.384946 0.258567 0.745253 O\n0.361967 0.095370 0.420522 O\n0.860926 0.270350 0.757648 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Ta",
"O"
],
"chemical_system": "Li-O-Ta",
"density": 5.845377504566781,
"density_atomic": 0.10596195949197179,
"volume": 452.9927554202763,
"volume_molar": 5.6833044508357435,
"formula_full": "Li18 Ta6 O24",
"formula_reduced": "Li3TaO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.3418404,
"spacegroup": 13
},
{
"id": "jvasp-11482",
"created_at": "2022-09-04T14:38:11.924276Z",
"updated_at": "2022-09-04T14:38:11.924302Z",
"structure_string": "Ni2 S2 O8\n1.0\n4.710997 0.008480 0.000000\n-1.853828 4.330923 -0.000000\n-0.000000 0.000000 6.286657\nNi S O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.647517 0.352483 0.250000 S\n0.352483 0.647516 0.750000 S\n0.232270 0.297899 0.750000 O\n0.767730 0.702100 0.250000 O\n0.297899 0.232270 0.250000 O\n0.702101 0.767729 0.750000 O\n0.252907 0.747092 0.945745 O\n0.747093 0.252907 0.445745 O\n0.747093 0.252907 0.054255 O\n0.252907 0.747092 0.554256 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ni",
"S",
"O"
],
"chemical_system": "Ni-O-S",
"density": 4.003861429778657,
"density_atomic": 0.09348322697146912,
"volume": 128.36527352294306,
"volume_molar": 6.441947882092201,
"formula_full": "Ni2 S2 O8",
"formula_reduced": "NiSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1302794,
"spacegroup": 63
},
{
"id": "jvasp-64913",
"created_at": "2022-09-04T14:38:11.918828Z",
"updated_at": "2022-09-04T14:38:11.918845Z",
"structure_string": "Ti1 Be2 Pt1\n1.0\n-2.061935 2.061935 2.915905\n2.061935 -2.061935 2.915905\n2.061935 2.061935 -2.915905\nTi Be Pt\n1 2 1\ndirect\n0.749998 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Be\n0.250000 0.749998 0.499999 Be\n0.499999 0.499999 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Pt"
],
"chemical_system": "Be-Pt-Ti",
"density": 8.73907177821104,
"density_atomic": 0.08066343055786288,
"volume": 49.588766214581604,
"volume_molar": 7.46576325647357,
"formula_full": "Ti1 Be2 Pt1",
"formula_reduced": "TiBe2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.408382983333333,
"spacegroup": 216
},
{
"id": "jvasp-97629",
"created_at": "2022-09-04T14:38:11.918754Z",
"updated_at": "2022-09-04T14:38:11.918780Z",
"structure_string": "P4 Pb2 Xe6 F36\n1.0\n8.573621 0.050643 1.025057\n0.077640 8.573419 1.025057\n0.119725 0.119349 10.667954\nP Pb Xe F\n4 2 6 36\ndirect\n0.198131 0.198132 0.396276 P\n-0.000000 0.500000 0.000000 P\n0.801868 0.801868 0.603724 P\n0.500000 -0.000000 0.000000 P\n0.288959 0.288959 0.719515 Pb\n0.711041 0.711041 0.280485 Pb\n0.000000 0.000000 0.000000 Xe\n0.500000 0.500000 0.000000 Xe\n0.321507 0.798209 0.661917 Xe\n0.201791 0.678492 0.338083 Xe\n0.798208 0.321508 0.661918 Xe\n0.678492 0.201791 0.338083 Xe\n0.064314 0.334862 0.400657 F\n0.873156 0.403158 0.940128 F\n0.334861 0.064314 0.400657 F\n0.903758 0.903758 0.678344 F\n0.723391 0.428649 0.374463 F\n0.276608 0.571351 0.625538 F\n0.620874 0.025592 0.869658 F\n0.126843 0.596842 0.059873 F\n0.665138 0.935686 0.599343 F\n0.428648 0.723392 0.374462 F\n0.379125 0.974408 0.130342 F\n0.917074 0.917074 0.187989 F\n0.082925 0.082926 0.812011 F\n0.624977 0.976183 0.312294 F\n0.976183 0.624978 0.312294 F\n0.614162 0.856133 0.058261 F\n0.693054 0.693054 0.523774 F\n0.974407 0.379125 0.130343 F\n0.287461 0.287461 0.264295 F\n0.856133 0.614162 0.058261 F\n0.935685 0.665138 0.599343 F\n0.385838 0.143867 0.941739 F\n0.143867 0.385838 0.941739 F\n0.375022 0.023817 0.687706 F\n0.025592 0.620875 0.869658 F\n0.596842 0.126843 0.059873 F\n0.306946 0.306946 0.476227 F\n0.531174 0.531174 0.186233 F\n0.883276 0.883277 0.463562 F\n0.023817 0.375022 0.687706 F\n0.571351 0.276608 0.625538 F\n0.468826 0.468826 0.813767 F\n0.096241 0.096242 0.321656 F\n0.403157 0.873157 0.940128 F\n0.116723 0.116723 0.536438 F\n0.712538 0.712539 0.735705 F\n",
"nsites": 48,
"nelements": 4,
"elements": [
"P",
"Pb",
"Xe",
"F"
],
"chemical_system": "F-P-Pb-Xe",
"density": 4.268001034792065,
"density_atomic": 0.06137924713817269,
"volume": 782.0232772152734,
"volume_molar": 9.811363027055995,
"formula_full": "P4 Pb2 Xe6 F36",
"formula_reduced": "P2Pb(XeF6)3",
"formula_anonymous": "AB2C3D18",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-108851",
"created_at": "2022-09-04T14:38:11.916877Z",
"updated_at": "2022-09-04T14:38:11.916904Z",
"structure_string": "K2 Sm1 Cu1 Cl6\n1.0\n6.328170 -0.000000 3.653571\n2.109390 5.966256 3.653571\n-0.000000 -0.000000 7.307142\nK Sm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Cu\n0.741840 0.258160 0.258160 Cl\n0.258160 0.258160 0.741839 Cl\n0.258160 0.741840 0.741839 Cl\n0.258160 0.741840 0.258160 Cl\n0.741840 0.258160 0.741839 Cl\n0.741840 0.741840 0.258160 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sm",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K-Sm",
"density": 3.038495499202691,
"density_atomic": 0.03624703033344629,
"volume": 275.8846699441935,
"volume_molar": 16.614163159300745,
"formula_full": "K2 Sm1 Cu1 Cl6",
"formula_reduced": "K2SmCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-18225",
"created_at": "2022-09-04T14:38:11.910468Z",
"updated_at": "2022-09-04T14:38:11.910493Z",
"structure_string": "Tb2 Cu2 Sb4\n1.0\n4.321538 0.000000 -0.000000\n-0.000000 4.321538 0.000000\n-0.000000 0.000000 9.887059\nTb Cu Sb\n2 2 4\ndirect\n0.500000 0.000000 0.750710 Tb\n0.000000 0.500000 0.249290 Tb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.338485 Sb\n0.000000 0.500000 0.661515 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Tb",
"density": 8.381334044599312,
"density_atomic": 0.043325759922882484,
"volume": 184.6476556727353,
"volume_molar": 13.899677168315309,
"formula_full": "Tb2 Cu2 Sb4",
"formula_reduced": "TbCuSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9001602625000001,
"spacegroup": 129
}
]
}