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=-volume&page=313",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=311",
"results": [
{
"id": "jvasp-101697",
"created_at": "2022-09-04T14:36:35.267668Z",
"updated_at": "2022-09-04T14:36:35.267687Z",
"structure_string": "Rb5 Bi4\n1.0\n6.683177 -0.037002 2.447275\n4.184496 5.211163 2.447275\n0.008929 0.004251 11.967078\nRb Bi\n5 4\ndirect\n0.406189 0.406188 0.888523 Rb\n0.601921 0.601920 0.106560 Rb\n0.751542 0.751541 0.664488 Rb\n0.256851 0.256850 0.330681 Rb\n0.504703 0.504702 0.497223 Rb\n0.051363 0.051362 0.671021 Bi\n0.956757 0.956756 0.324194 Bi\n0.113920 0.113920 0.889044 Bi\n0.894160 0.894159 0.106164 Bi\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Rb",
"Bi"
],
"chemical_system": "Bi-Rb",
"density": 5.01251585089887,
"density_atomic": 0.021505830565481297,
"volume": 418.4911609247853,
"volume_molar": 28.002363087831874,
"formula_full": "Rb5 Bi4",
"formula_reduced": "Rb5Bi4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.2407681518518519,
"spacegroup": 12
},
{
"id": "jvasp-96960",
"created_at": "2022-09-04T14:36:40.177835Z",
"updated_at": "2022-09-04T14:36:40.177859Z",
"structure_string": "Dy5 Sn11\n1.0\n4.353211 0.000015 -0.440998\n-0.046245 4.422507 -0.456760\n0.002444 0.008962 21.736052\nDy Sn\n5 11\ndirect\n0.807311 0.307398 0.614626 Dy\n0.617255 0.617196 0.234535 Dy\n0.000000 0.000000 0.000000 Dy\n0.192687 0.692603 0.385374 Dy\n0.382743 0.382806 0.765465 Dy\n0.439675 0.939706 0.879374 Sn\n0.131679 0.131652 0.263422 Sn\n0.249370 0.249337 0.498737 Sn\n0.560323 0.060295 0.120626 Sn\n0.320294 0.820392 0.640575 Sn\n0.750628 0.750664 0.501263 Sn\n0.059913 0.559862 0.119850 Sn\n0.940085 0.440139 0.880150 Sn\n0.868319 0.868349 0.736578 Sn\n0.499999 0.500001 -0.000000 Sn\n0.679704 0.179609 0.359424 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Dy",
"Sn"
],
"chemical_system": "Dy-Sn",
"density": 8.40535493359928,
"density_atomic": 0.03823291628922143,
"volume": 418.48756393481546,
"volume_molar": 15.751193852030987,
"formula_full": "Dy5 Sn11",
"formula_reduced": "Dy5Sn11",
"formula_anonymous": "A5B11",
"energy_above_hull": 0.872043825,
"spacegroup": 71
},
{
"id": "jvasp-88170",
"created_at": "2022-09-04T14:36:13.065821Z",
"updated_at": "2022-09-04T14:36:13.065851Z",
"structure_string": "Hg4 N24\n1.0\n6.264121 0.000000 0.000000\n0.000000 6.283415 0.000000\n0.000000 0.000000 10.631395\nHg N\n4 24\ndirect\n0.762603 0.765372 0.964840 Hg\n0.237397 0.265372 0.035160 Hg\n0.237397 0.765372 0.464840 Hg\n0.762603 0.265372 0.535160 Hg\n0.947448 0.618912 0.417440 N\n0.608822 0.270433 0.882117 N\n0.881758 0.119101 0.190006 N\n0.804302 0.605621 0.211646 N\n0.118242 0.619101 0.809994 N\n0.528580 0.884335 0.539080 N\n0.052552 0.118913 0.582560 N\n0.471420 0.384336 0.460919 N\n0.528580 0.384336 0.960919 N\n0.947448 0.118913 0.082560 N\n0.608822 0.770432 0.617883 N\n0.195698 0.105621 0.788354 N\n0.304737 0.167225 0.307345 N\n0.304737 0.667224 0.192655 N\n0.052552 0.618912 0.917439 N\n0.391178 0.270433 0.382117 N\n0.118242 0.119101 0.690005 N\n0.195698 0.605621 0.711646 N\n0.471420 0.884335 0.039081 N\n0.695263 0.167225 0.807345 N\n0.391178 0.770432 0.117883 N\n0.695263 0.667224 0.692655 N\n0.804302 0.105621 0.288354 N\n0.881758 0.619101 0.309994 N\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Hg",
"N"
],
"chemical_system": "Hg-N",
"density": 4.5179761074592655,
"density_atomic": 0.06691321460332507,
"volume": 418.4524710999106,
"volume_molar": 8.999927436905335,
"formula_full": "Hg4 N24",
"formula_reduced": "HgN6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.870849157142857,
"spacegroup": 29
},
{
"id": "jvasp-21566",
"created_at": "2022-09-04T14:37:39.369329Z",
"updated_at": "2022-09-04T14:37:39.369345Z",
"structure_string": "Ca10 As6\n1.0\n4.240878 -7.345416 -0.000000\n4.240878 7.345416 0.000000\n-0.000000 -0.000000 6.713984\nCa As\n10 6\ndirect\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.500000 Ca\n0.666667 0.333333 0.000000 Ca\n0.333333 0.666667 0.500000 Ca\n-0.000000 0.253900 0.750000 Ca\n0.253900 0.253900 0.250000 Ca\n0.746101 -0.000000 0.250000 Ca\n0.253900 -0.000000 0.750000 Ca\n0.746101 0.746101 0.750000 Ca\n-0.000000 0.746101 0.250000 Ca\n-0.000000 0.610787 0.750000 As\n0.610787 0.610787 0.250000 As\n0.389213 -0.000000 0.250000 As\n0.610787 -0.000000 0.750000 As\n0.389213 0.389213 0.750000 As\n-0.000000 0.389213 0.250000 As\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"As"
],
"chemical_system": "As-Ca",
"density": 3.375543480181914,
"density_atomic": 0.038250534602795365,
"volume": 418.2948072791305,
"volume_molar": 15.743938803824978,
"formula_full": "Ca10 As6",
"formula_reduced": "Ca5As3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.54341841875,
"spacegroup": 193
},
{
"id": "jvasp-12465",
"created_at": "2022-09-04T14:37:28.411370Z",
"updated_at": "2022-09-04T14:37:28.411397Z",
"structure_string": "Bi4 Cl12\n1.0\n6.301279 0.000000 0.000000\n0.000000 7.497354 0.000000\n0.000000 0.000000 8.852501\nBi Cl\n4 12\ndirect\n0.514116 0.577716 0.249383 Bi\n0.485884 0.422284 0.749382 Bi\n-0.014116 0.077716 0.249383 Bi\n0.014116 0.922284 0.749382 Bi\n0.645444 0.323468 0.061626 Cl\n0.354556 0.676532 0.561626 Cl\n0.854556 0.823467 0.061626 Cl\n0.145444 0.176532 0.561626 Cl\n0.632529 0.042164 0.749770 Cl\n0.367471 0.957836 0.249770 Cl\n0.867471 0.542164 0.749770 Cl\n0.132529 0.457836 0.249770 Cl\n0.145401 0.176201 0.937821 Cl\n0.854599 0.823799 0.437821 Cl\n0.354599 0.676200 0.937821 Cl\n0.645401 0.323799 0.437821 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl",
"density": 5.0082340296268155,
"density_atomic": 0.03825756032497994,
"volume": 418.2179904857378,
"volume_molar": 15.741047544184088,
"formula_full": "Bi4 Cl12",
"formula_reduced": "BiCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.052866625625,
"spacegroup": 62
},
{
"id": "jvasp-116567",
"created_at": "2022-09-04T14:38:44.037058Z",
"updated_at": "2022-09-04T14:38:44.037096Z",
"structure_string": "Tb6 Fe23\n1.0\n7.269123 -0.000000 4.196830\n2.423041 6.853395 4.196830\n-0.000000 -0.000000 8.393660\nTb Fe\n6 23\ndirect\n0.792011 0.792011 0.207989 Tb\n0.207989 0.792011 0.207989 Tb\n0.792011 0.207989 0.207989 Tb\n0.207989 0.207989 0.792011 Tb\n0.792011 0.207989 0.792011 Tb\n0.207989 0.792011 0.792011 Tb\n0.175533 0.473403 0.175533 Fe\n0.175533 0.175533 0.473403 Fe\n0.824467 0.824467 0.824468 Fe\n0.526597 0.824467 0.824468 Fe\n0.824467 0.526597 0.824468 Fe\n0.824467 0.824467 0.526597 Fe\n0.378101 0.378100 0.378101 Fe\n0.865699 0.378100 0.378101 Fe\n0.378101 0.865699 0.378101 Fe\n0.378101 0.378100 0.865699 Fe\n0.621899 0.134301 0.621900 Fe\n0.134301 0.621899 0.621900 Fe\n0.473403 0.175533 0.175533 Fe\n0.621899 0.621899 0.134301 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.621899 0.621899 0.621900 Fe\n0.175533 0.175533 0.175533 Fe\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Tb",
"Fe"
],
"chemical_system": "Fe-Tb",
"density": 8.887252555768274,
"density_atomic": 0.06935197662627506,
"volume": 418.1567910641628,
"volume_molar": 8.683445019097581,
"formula_full": "Tb6 Fe23",
"formula_reduced": "Tb6Fe23",
"formula_anonymous": "A6B23",
"energy_above_hull": 3.877896789655172,
"spacegroup": 225
},
{
"id": "jvasp-101994",
"created_at": "2022-09-04T14:36:53.478980Z",
"updated_at": "2022-09-04T14:36:53.479007Z",
"structure_string": "H24 C16 O12\n1.0\n4.771787 0.000000 -3.655429\n0.000000 11.247551 0.000000\n0.148446 0.000000 7.676259\nH C O\n24 16 12\ndirect\n0.049337 0.594360 0.584691 H\n0.672683 0.755592 0.015849 H\n0.327318 0.244408 -0.015849 H\n0.327318 0.255592 0.484152 H\n0.672683 0.744408 0.515849 H\n0.719285 0.681267 0.241302 H\n0.280717 0.318732 0.758699 H\n0.280716 0.181268 0.258699 H\n0.719285 0.818732 0.741302 H\n0.829683 0.212816 0.505600 H\n0.829682 0.287184 0.005599 H\n0.170318 0.712816 -0.005599 H\n0.170319 0.787184 0.494401 H\n0.822563 0.283455 0.709483 H\n0.950665 0.405640 0.415310 H\n0.177439 0.716545 0.290518 H\n0.049336 0.905640 0.084690 H\n0.326279 0.560764 0.857800 H\n0.673722 0.439236 0.142201 H\n0.950665 0.094360 0.915310 H\n0.326279 0.939236 0.357799 H\n0.177439 0.783455 0.790518 H\n0.822562 0.216545 0.209482 H\n0.673722 0.060764 0.642201 H\n0.924465 0.286512 0.179870 C\n0.770144 0.761466 0.190229 C\n0.229857 0.238534 0.809771 C\n0.229857 0.261466 0.309771 C\n0.770144 0.738534 0.690229 C\n0.075536 0.786512 0.320130 C\n0.924465 0.213488 0.679870 C\n0.075536 0.713488 0.820131 C\n0.288805 0.471909 0.263628 C\n0.885893 0.094086 0.747754 C\n0.885892 0.405914 0.247754 C\n0.114109 0.594086 0.752247 C\n0.711196 0.971909 0.236373 C\n0.288806 0.028091 0.763628 C\n0.711196 0.528091 0.736373 C\n0.114108 0.905913 0.252246 C\n0.052773 0.497340 0.237466 O\n0.947228 0.502660 0.762535 O\n0.571647 0.052684 0.233064 O\n0.428355 0.947316 0.766937 O\n0.428354 0.552684 0.266937 O\n0.368722 0.141394 0.780349 O\n0.631280 0.858605 0.219651 O\n0.368721 0.358606 0.280349 O\n0.631280 0.641394 0.719652 O\n0.052774 0.002660 0.737466 O\n0.571647 0.447316 0.733064 O\n0.947228 0.997340 0.262534 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6218525228254967,
"density_atomic": 0.12437359772966892,
"volume": 418.09516609002594,
"volume_molar": 4.841976810134067,
"formula_full": "H24 C16 O12",
"formula_reduced": "H6C4O3",
"formula_anonymous": "A3B4C6",
"energy_above_hull": 4.385507730769231,
"spacegroup": 14
},
{
"id": "jvasp-117118",
"created_at": "2022-09-04T14:38:47.994439Z",
"updated_at": "2022-09-04T14:38:47.994467Z",
"structure_string": "Ti4 Ge4 S12\n1.0\n3.491169 -0.000000 0.000000\n0.000000 9.029578 0.000000\n-0.000000 -0.000000 13.261621\nTi Ge S\n4 4 12\ndirect\n0.750000 0.346551 0.954294 Ti\n0.750000 0.846551 0.545706 Ti\n0.250000 0.653449 0.045706 Ti\n0.250000 0.153449 0.454294 Ti\n0.250000 0.068069 0.839705 Ge\n0.250000 0.568069 0.660295 Ge\n0.750000 0.931932 0.160295 Ge\n0.750000 0.431932 0.339705 Ge\n0.250000 0.678047 0.487887 S\n0.250000 0.178047 0.012113 S\n0.250000 0.264405 0.286168 S\n0.250000 0.764405 0.213832 S\n0.750000 0.735596 0.713832 S\n0.250000 0.013350 0.609198 S\n0.750000 0.986650 0.390802 S\n0.750000 0.486650 0.109198 S\n0.750000 0.821953 0.987887 S\n0.250000 0.513351 0.890802 S\n0.750000 0.235596 0.786168 S\n0.750000 0.321953 0.512113 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ti",
"Ge",
"S"
],
"chemical_system": "Ge-S-Ti",
"density": 3.4430003723947986,
"density_atomic": 0.047840428068174734,
"volume": 418.0564599359168,
"volume_molar": 12.587974236806959,
"formula_full": "Ti4 Ge4 S12",
"formula_reduced": "TiGeS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9944208566666668,
"spacegroup": 62
},
{
"id": "jvasp-55389",
"created_at": "2022-09-04T14:38:35.121392Z",
"updated_at": "2022-09-04T14:38:35.121404Z",
"structure_string": "Ca4 Al6 W1 O16\n1.0\n7.692025 -0.000000 -2.719542\n-3.846012 6.661488 -2.719542\n0.000000 0.000000 8.158624\nCa Al W O\n4 6 1 16\ndirect\n0.497832 0.497832 0.497832 Ca\n-0.000000 -0.000000 0.502168 Ca\n0.502168 0.000000 0.000000 Ca\n0.000000 0.502168 0.000000 Ca\n0.250000 0.500000 0.750000 Al\n0.500000 0.250000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.750000 0.250000 Al\n0.750000 0.500000 0.250000 Al\n0.000000 0.000000 0.000000 W\n0.606787 0.305884 0.606787 O\n-0.000000 -0.000000 0.220394 O\n0.300903 0.694116 0.300903 O\n0.779606 0.779607 0.779606 O\n0.694116 0.300903 0.300903 O\n0.000000 0.393213 0.699097 O\n0.699097 -0.000000 0.393213 O\n0.393213 -0.000000 0.699097 O\n0.699097 0.393213 0.000000 O\n0.300903 0.300903 0.694116 O\n0.000000 0.699097 0.393213 O\n0.393213 0.699097 0.000000 O\n0.606787 0.606787 0.305884 O\n0.305884 0.606787 0.606787 O\n0.220394 0.000000 0.000000 O\n0.000000 0.220394 0.000000 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ca",
"Al",
"W",
"O"
],
"chemical_system": "Al-Ca-O-W",
"density": 3.026866319922145,
"density_atomic": 0.06458548252440915,
"volume": 418.0506043257591,
"volume_molar": 9.32429475575106,
"formula_full": "Ca4 Al6 W1 O16",
"formula_reduced": "Ca4Al6WO16",
"formula_anonymous": "AB4C6D16",
"energy_above_hull": 2.486793499259259,
"spacegroup": 217
},
{
"id": "jvasp-98867",
"created_at": "2022-09-04T14:36:15.083782Z",
"updated_at": "2022-09-04T14:36:15.083810Z",
"structure_string": "Ce6 Al4 I4\n1.0\n4.140610 0.000062 0.806313\n1.490585 9.289071 3.378778\n0.027669 0.065459 10.895128\nCe Al I\n6 4 4\ndirect\n0.191383 0.040342 0.573240 Ce\n0.464988 0.373576 0.692773 Ce\n0.246360 0.316643 0.187003 Ce\n0.747912 0.684624 0.815884 Ce\n0.529843 0.626972 0.309708 Ce\n0.803322 0.961339 0.428389 Ce\n0.924229 0.614992 0.532892 Al\n0.070974 0.387040 0.467362 Al\n0.657775 0.280960 0.399873 Al\n0.337425 0.720308 0.601167 Al\n0.861658 0.330998 0.942038 I\n0.581137 0.020719 0.813345 I\n0.132478 0.669525 0.061861 I\n0.413520 0.980310 0.189030 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Al",
"I"
],
"chemical_system": "Al-Ce-I",
"density": 5.7849264560514895,
"density_atomic": 0.03349221064601219,
"volume": 418.0076420744397,
"volume_molar": 17.980720423771242,
"formula_full": "Ce6 Al4 I4",
"formula_reduced": "Ce3(AlI)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.402432092857143,
"spacegroup": 12
},
{
"id": "jvasp-98067",
"created_at": "2022-09-04T14:35:46.726213Z",
"updated_at": "2022-09-04T14:35:46.726232Z",
"structure_string": "Ag8 N4 Cl4 O12\n1.0\n5.094440 0.000000 0.000000\n0.000000 6.449112 0.000000\n0.000000 0.000000 12.720976\nAg N Cl O\n8 4 4 12\ndirect\n0.250000 0.259116 0.034142 Ag\n0.750000 0.740884 0.965858 Ag\n0.250000 0.866144 0.752137 Ag\n0.750000 0.240884 0.534142 Ag\n0.750000 0.633855 0.252137 Ag\n0.250000 0.366145 0.747863 Ag\n0.250000 0.759116 0.465858 Ag\n0.750000 0.133855 0.247863 Ag\n0.750000 0.655773 0.645795 N\n0.250000 0.344227 0.354205 N\n0.750000 0.155773 0.854206 N\n0.250000 0.844227 0.145795 N\n0.250000 0.108363 0.588518 Cl\n0.250000 0.608362 0.911482 Cl\n0.750000 0.391637 0.088518 Cl\n0.750000 0.891637 0.411482 Cl\n0.750000 0.310419 0.792470 O\n0.033968 0.424100 0.385257 O\n0.466032 0.924100 0.114743 O\n0.250000 0.189580 0.292470 O\n0.966032 0.075900 0.885257 O\n0.533968 0.575900 0.614743 O\n0.466032 0.424100 0.385257 O\n0.250000 0.689580 0.207530 O\n0.966032 0.575900 0.614743 O\n0.033968 0.924100 0.114743 O\n0.750000 0.810419 0.707530 O\n0.533968 0.075900 0.885257 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ag",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-N-O",
"density": 4.977441151632959,
"density_atomic": 0.06699482038809837,
"volume": 417.9427579295996,
"volume_molar": 8.988964706695198,
"formula_full": "Ag8 N4 Cl4 O12",
"formula_reduced": "Ag2NClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.8979946196428568,
"spacegroup": 62
},
{
"id": "jvasp-97000",
"created_at": "2022-09-04T14:36:07.082592Z",
"updated_at": "2022-09-04T14:36:07.082619Z",
"structure_string": "Sm4 Se6 O18\n1.0\n6.779462 -0.063310 -1.749393\n-3.859098 6.823978 -0.840974\n0.008520 0.102069 9.050921\nSm Se O\n4 6 18\ndirect\n0.022075 0.650605 0.319445 Sm\n0.977924 0.349395 0.680556 Sm\n0.464082 0.683226 0.129506 Sm\n0.535918 0.316775 0.870494 Sm\n0.647868 0.772184 0.516658 Se\n0.964919 0.775617 0.957211 Se\n0.624428 0.168311 0.256635 Se\n0.035081 0.224384 0.042790 Se\n0.375572 0.831690 0.743365 Se\n0.352132 0.227816 0.483343 Se\n0.239607 0.337607 0.948507 O\n0.137835 0.432722 0.186571 O\n0.872041 0.330592 0.409034 O\n0.652374 0.338946 0.144296 O\n0.181928 0.784080 0.103393 O\n0.285296 0.322750 0.635654 O\n0.852178 0.006590 0.599338 O\n0.862164 0.567278 0.813429 O\n0.434447 0.794734 0.384618 O\n0.760393 0.662394 0.051494 O\n0.347626 0.661055 0.855704 O\n0.818071 0.215921 0.896607 O\n0.147822 0.993411 0.400663 O\n0.565553 0.205266 0.615382 O\n0.700144 0.020750 0.162322 O\n0.299856 0.979250 0.837678 O\n0.127958 0.669408 0.590967 O\n0.714704 0.677251 0.364347 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sm",
"Se",
"O"
],
"chemical_system": "O-Se-Sm",
"density": 5.416887289312931,
"density_atomic": 0.06700428795650483,
"volume": 417.883703475454,
"volume_molar": 8.987694584426018,
"formula_full": "Sm4 Se6 O18",
"formula_reduced": "Sm2(SeO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.4111949535714285,
"spacegroup": 2
}
]
}