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=-nsites&page=339",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=337",
"results": [
{
"id": "jvasp-116544",
"created_at": "2022-09-04T14:38:42.029259Z",
"updated_at": "2022-09-04T14:38:42.029279Z",
"structure_string": "Sr3 Li6 Si3 O12\n1.0\n5.036270 -0.000000 0.000000\n-2.518135 4.361538 0.000000\n-0.000000 -0.000000 12.486220\nSr Li Si O\n3 6 3 12\ndirect\n0.416019 0.000000 0.833333 Sr\n0.583981 0.583981 0.500000 Sr\n0.000000 0.416019 0.166667 Sr\n0.663436 0.591506 0.745896 Li\n0.928071 0.336565 0.412562 Li\n0.408494 0.071930 0.079229 Li\n0.336566 0.928071 0.587438 Li\n0.591506 0.663436 0.254104 Li\n0.071930 0.408495 0.920771 Li\n0.721523 0.721523 -0.000000 Si\n0.000000 0.278478 0.666667 Si\n0.278477 0.000000 0.333333 Si\n0.761055 0.068868 0.003418 O\n0.547927 0.512266 0.106813 O\n0.964341 0.452074 0.773480 O\n0.487735 0.035660 0.440146 O\n0.452075 0.964341 0.226520 O\n0.512266 0.547927 0.893188 O\n0.035660 0.487735 0.559855 O\n0.068869 0.761055 0.996582 O\n0.692188 0.931133 0.663248 O\n0.238946 0.307813 0.329915 O\n0.931133 0.692187 0.336752 O\n0.307813 0.238945 0.670085 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Sr",
"density": 3.5161114381830068,
"density_atomic": 0.08750474294106961,
"volume": 274.2708474232407,
"volume_molar": 6.882073539780162,
"formula_full": "Sr3 Li6 Si3 O12",
"formula_reduced": "SrLi2SiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.61627111375,
"spacegroup": 152
},
{
"id": "jvasp-116504",
"created_at": "2022-09-04T14:38:41.062763Z",
"updated_at": "2022-09-04T14:38:41.062789Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n7.426132 -0.007126 1.313416\n6.884669 2.783672 1.313416\n0.035314 0.006852 9.521670\nLi Mn Co O\n7 2 3 12\ndirect\n0.918294 0.918290 0.749986 Li\n0.081708 0.081707 0.250015 Li\n0.249641 0.249640 0.743914 Li\n0.575709 0.575706 0.757293 Li\n0.750361 0.750357 0.256087 Li\n0.424293 0.424291 0.242708 Li\n0.000000 0.000000 0.000000 Li\n0.339304 0.339302 0.996420 Mn\n0.660698 0.660695 0.003581 Mn\n0.833451 0.833447 0.498484 Co\n0.166551 0.166550 0.501517 Co\n0.500001 0.499999 0.500000 Co\n0.869531 0.869527 0.114316 O\n0.790574 0.790570 0.888893 O\n0.957086 0.957082 0.391031 O\n0.130471 0.130470 0.885685 O\n0.448626 0.448623 0.879575 O\n0.623933 0.623931 0.393992 O\n0.289741 0.289739 0.391284 O\n0.042916 0.042915 0.608970 O\n0.209428 0.209427 0.111108 O\n0.376069 0.376067 0.606009 O\n0.710261 0.710258 0.608717 O\n0.551376 0.551374 0.120425 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.440609893551054,
"density_atomic": 0.12172608892546986,
"volume": 197.16397866602497,
"volume_molar": 4.947288468035165,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6895003826149426,
"spacegroup": 12
},
{
"id": "jvasp-30793",
"created_at": "2022-09-04T14:38:39.877355Z",
"updated_at": "2022-09-04T14:38:39.877376Z",
"structure_string": "Sb8 O16\n1.0\n6.162902 -0.214624 2.232049\n-0.199614 5.921052 0.826085\n4.181084 1.670383 11.925923\nSb O\n8 16\ndirect\n0.621421 0.808686 0.396249 Sb\n0.378794 0.691326 0.103747 Sb\n0.379557 0.191483 0.603649 Sb\n0.620236 0.308495 0.896363 Sb\n0.000525 0.500080 0.499934 Sb\n-0.000523 -0.000082 0.000065 Sb\n0.000522 0.000074 0.499928 Sb\n-0.000514 0.499926 0.000070 Sb\n0.304308 0.005134 0.005952 O\n0.305541 0.505409 0.505663 O\n0.314141 0.502339 -0.001563 O\n0.315383 0.002589 0.498134 O\n0.694687 -0.005305 -0.005848 O\n0.695473 0.494757 0.494227 O\n0.825181 0.172088 0.141111 O\n0.173102 0.327793 0.856958 O\n0.173802 0.827756 0.859004 O\n-0.173623 0.672253 0.640993 O\n0.685642 -0.002423 0.501738 O\n-0.172801 0.172206 0.643039 O\n0.825883 0.672068 0.143166 O\n0.173804 0.827927 0.356841 O\n0.174612 0.327899 0.358888 O\n0.684844 0.497525 0.001687 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.529016373976376,
"density_atomic": 0.06496509119465767,
"volume": 369.429174325143,
"volume_molar": 9.269810369319123,
"formula_full": "Sb8 O16",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4376877000000006,
"spacegroup": 2
},
{
"id": "jvasp-112537",
"created_at": "2022-09-04T14:38:40.627369Z",
"updated_at": "2022-09-04T14:38:40.627384Z",
"structure_string": "Cu4 Ni4 Sb4 S12\n1.0\n4.865227 0.000000 0.000000\n0.000000 7.490678 0.000000\n0.000000 0.000000 12.392772\nCu Ni Sb S\n4 4 4 12\ndirect\n0.520523 0.618034 0.939801 Cu\n0.020523 0.881966 0.060199 Cu\n0.479477 0.118034 0.560199 Cu\n0.979478 0.381966 0.439801 Cu\n0.989872 0.868742 0.747850 Ni\n0.489872 0.631259 0.252150 Ni\n0.010129 0.368741 0.752150 Ni\n0.510129 0.131259 0.247850 Ni\n0.431114 0.127706 0.864542 Sb\n0.931115 0.372294 0.135457 Sb\n0.568886 0.627706 0.635457 Sb\n0.068886 0.872294 0.364542 Sb\n0.782007 0.370186 0.910192 S\n0.770657 0.870167 0.905881 S\n0.270657 0.629833 0.094119 S\n0.229343 0.370167 0.594119 S\n0.729344 0.129833 0.405881 S\n0.221619 0.622053 0.796112 S\n0.721619 0.877947 0.203888 S\n0.778382 0.122053 0.703888 S\n0.278381 0.377947 0.296112 S\n0.217994 0.870186 0.589807 S\n0.717994 0.629814 0.410192 S\n0.282006 0.129814 0.089807 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cu",
"Ni",
"Sb",
"S"
],
"chemical_system": "Cu-Ni-S-Sb",
"density": 5.003150333305506,
"density_atomic": 0.05313963232966594,
"volume": 451.6403096489184,
"volume_molar": 11.332672989982386,
"formula_full": "Cu4 Ni4 Sb4 S12",
"formula_reduced": "CuNiSbS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.3982914916666669,
"spacegroup": 19
},
{
"id": "jvasp-119399",
"created_at": "2022-09-04T14:38:48.318131Z",
"updated_at": "2022-09-04T14:38:48.318156Z",
"structure_string": "V6 O6 F12\n1.0\n5.038121 -0.004497 -0.111655\n-2.484782 4.640263 -0.110876\n0.005581 -0.098977 12.389761\nV O F\n6 6 12\ndirect\n0.170218 0.385995 0.336774 V\n0.172614 0.313257 0.838479 V\n0.499999 -0.000001 0.500000 V\n0.500000 -0.000000 -0.000000 V\n0.827385 0.686741 0.161520 V\n0.829781 0.614003 0.663225 V\n0.427732 0.669468 0.418509 O\n0.970608 0.532797 0.283665 O\n0.572267 0.330530 0.581491 O\n0.698463 0.809223 0.056299 O\n0.301536 0.190775 0.943700 O\n0.029391 0.467201 0.716334 O\n0.370895 0.137368 0.378962 F\n0.580904 0.548688 0.786008 F\n0.419095 0.451310 0.213991 F\n0.112448 0.001733 0.741078 F\n0.887551 -0.001735 0.258922 F\n0.919275 0.204218 0.455935 F\n0.629104 0.862630 0.621038 F\n0.754114 0.115926 0.875536 F\n0.787375 0.345798 0.081204 F\n0.212624 0.654200 0.918796 F\n0.245885 0.884072 0.124464 F\n0.080724 0.795780 0.544064 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.6123118191524064,
"density_atomic": 0.08292100522397208,
"volume": 289.43209184663516,
"volume_molar": 7.262503323173688,
"formula_full": "V6 O6 F12",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.91053956625,
"spacegroup": 2
},
{
"id": "jvasp-112574",
"created_at": "2022-09-04T14:38:41.547522Z",
"updated_at": "2022-09-04T14:38:41.547574Z",
"structure_string": "Sm4 Be4 Si2 O14\n1.0\n7.428340 -0.000000 0.000000\n0.000000 7.428340 0.000000\n-0.000000 -0.000000 4.841892\nSm Be Si O\n4 4 2 14\ndirect\n0.159829 0.340171 0.506047 Sm\n0.840171 0.659829 0.506047 Sm\n0.659829 0.159829 0.493952 Sm\n0.340171 0.840171 0.493952 Sm\n0.635931 0.864069 0.961951 Be\n0.364069 0.135931 0.961951 Be\n0.135931 0.635931 0.038049 Be\n0.864069 0.364069 0.038049 Be\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 -0.000000 Si\n0.578257 0.664061 0.805024 O\n0.835939 0.921743 0.805024 O\n0.421743 0.335939 0.805024 O\n0.164061 0.078257 0.805024 O\n0.921743 0.164061 0.194976 O\n0.078257 0.835939 0.194976 O\n0.500000 0.000000 0.826567 O\n0.141135 0.641135 0.710781 O\n0.358865 0.141135 0.289218 O\n0.641135 0.858865 0.289218 O\n0.335939 0.578257 0.194976 O\n-0.000000 0.500000 0.173433 O\n0.858865 0.358865 0.710781 O\n0.664061 0.421743 0.194976 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sm",
"Be",
"Si",
"O"
],
"chemical_system": "Be-O-Si-Sm",
"density": 5.703325388517974,
"density_atomic": 0.0898281791881796,
"volume": 267.1767391580184,
"volume_molar": 6.70406637919746,
"formula_full": "Sm4 Be4 Si2 O14",
"formula_reduced": "Sm2Be2SiO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.434766920833333,
"spacegroup": 113
},
{
"id": "jvasp-113183",
"created_at": "2022-09-04T14:38:47.648437Z",
"updated_at": "2022-09-04T14:38:47.648468Z",
"structure_string": "Co4 P4 O16\n1.0\n4.536485 -0.000000 0.000000\n0.000000 5.416410 0.000000\n-0.000000 -0.000000 9.530762\nCo P O\n4 4 16\ndirect\n0.446447 0.750000 0.234315 Co\n0.946448 0.250000 0.265685 Co\n0.053553 0.750000 0.734315 Co\n0.553554 0.250000 0.765685 Co\n0.384150 0.250000 0.084823 P\n0.884150 0.750000 0.415177 P\n0.115851 0.250000 0.584823 P\n0.615851 0.750000 0.915177 P\n0.780777 0.970579 0.835448 O\n0.780777 0.529421 0.835448 O\n0.280777 0.470579 0.664551 O\n0.280777 0.029421 0.664551 O\n0.783374 0.250000 0.603216 O\n0.810013 0.750000 0.570424 O\n0.189988 0.250000 0.429575 O\n0.219224 0.470579 0.164552 O\n0.719224 0.970579 0.335448 O\n0.719224 0.529421 0.335448 O\n0.283373 0.750000 0.896783 O\n0.219224 0.029421 0.164552 O\n0.716628 0.250000 0.103217 O\n0.689988 0.750000 0.070424 O\n0.216627 0.750000 0.396783 O\n0.310013 0.250000 0.929575 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 4.365177750628455,
"density_atomic": 0.1024831832593074,
"volume": 234.18476316523225,
"volume_molar": 5.876223365117884,
"formula_full": "Co4 P4 O16",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6572484000000003,
"spacegroup": 62
},
{
"id": "jvasp-111691",
"created_at": "2022-09-04T14:38:40.996372Z",
"updated_at": "2022-09-04T14:38:40.996396Z",
"structure_string": "La4 P4 O16\n1.0\n5.235723 0.000000 0.000000\n-0.000000 7.427227 0.000000\n0.000000 0.000000 9.208445\nLa P O\n4 4 16\ndirect\n0.250000 0.980656 0.304818 La\n0.250000 0.480656 0.195182 La\n0.750000 0.019344 0.695181 La\n0.750000 0.519345 0.804818 La\n0.750000 0.249982 0.079408 P\n0.750000 0.749982 0.420592 P\n0.250000 0.750018 0.920591 P\n0.250000 0.250018 0.579408 P\n0.250000 0.798749 0.083657 O\n0.250000 0.298749 0.416343 O\n0.506165 0.686586 0.343722 O\n0.993834 0.186586 0.156278 O\n0.006165 0.313414 0.656278 O\n0.493835 0.813415 0.843721 O\n0.493835 0.313414 0.656278 O\n0.750000 0.462381 0.084929 O\n0.993834 0.686586 0.343722 O\n0.506165 0.186586 0.156278 O\n0.750000 0.701252 0.583657 O\n0.750000 0.962381 0.415071 O\n0.250000 0.537620 0.915070 O\n0.250000 0.037620 0.584929 O\n0.006165 0.813415 0.843721 O\n0.750000 0.201251 0.916342 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"La",
"P",
"O"
],
"chemical_system": "La-O-P",
"density": 4.338170665703978,
"density_atomic": 0.06702264822571359,
"volume": 358.08790961489154,
"volume_molar": 8.98523248397931,
"formula_full": "La4 P4 O16",
"formula_reduced": "LaPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.15752075,
"spacegroup": 62
},
{
"id": "jvasp-112594",
"created_at": "2022-09-04T14:38:41.145528Z",
"updated_at": "2022-09-04T14:38:41.145555Z",
"structure_string": "Er8 Al4 Ge12\n1.0\n4.155004 -0.000000 0.000000\n0.000000 6.779811 0.000000\n-0.000000 -0.000000 17.596537\nEr Al Ge\n8 4 12\ndirect\n0.250000 0.667141 0.704181 Er\n0.749999 0.332859 0.295820 Er\n0.749999 0.832859 0.204180 Er\n0.250000 0.167141 0.795820 Er\n0.250000 0.667421 0.913750 Er\n0.749999 0.332579 0.086250 Er\n0.749999 0.832579 0.413750 Er\n0.250000 0.167421 0.586251 Er\n0.749999 0.550904 0.564201 Al\n0.250000 0.449096 0.435799 Al\n0.250000 0.949096 0.064201 Al\n0.749999 0.050904 0.935799 Al\n0.749999 0.855947 0.812309 Ge\n0.250000 0.753579 0.533461 Ge\n0.749999 0.246420 0.466539 Ge\n0.749999 0.746420 0.033461 Ge\n0.250000 0.253579 0.966539 Ge\n0.250000 0.540268 0.171535 Ge\n0.749999 0.459732 0.828465 Ge\n0.749999 0.959732 0.671535 Ge\n0.250000 0.040268 0.328465 Ge\n0.250000 0.644053 0.312309 Ge\n0.749999 0.355947 0.687691 Ge\n0.250000 0.144053 0.187691 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Al",
"Ge"
],
"chemical_system": "Al-Er-Ge",
"density": 7.764008179327911,
"density_atomic": 0.0484166794721843,
"volume": 495.6969429055571,
"volume_molar": 12.438153185328952,
"formula_full": "Er8 Al4 Ge12",
"formula_reduced": "Er2AlGe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1513267749999998,
"spacegroup": 62
},
{
"id": "jvasp-117076",
"created_at": "2022-09-04T14:38:47.486592Z",
"updated_at": "2022-09-04T14:38:47.486620Z",
"structure_string": "Sr4 Cr4 O16\n1.0\n7.460198 -0.000000 0.000000\n0.000000 6.597525 0.126073\n-0.000000 -0.148323 7.581889\nSr Cr O\n4 4 16\ndirect\n0.000018 0.363592 0.250013 Sr\n0.500018 0.136408 0.749987 Sr\n-0.000018 0.636408 0.749986 Sr\n0.499982 0.863591 0.250013 Sr\n0.499986 0.639232 0.749967 Cr\n0.500014 0.360767 0.250033 Cr\n0.000014 0.139233 0.749967 Cr\n-0.000014 0.860767 0.250033 Cr\n0.678157 0.511091 0.249985 O\n0.321882 0.511111 0.250102 O\n0.678118 0.488889 0.749897 O\n-0.000063 0.709876 0.425036 O\n0.499937 0.790123 0.574963 O\n0.000057 0.709786 0.074977 O\n0.321843 0.488909 0.750015 O\n0.821844 0.011091 0.249985 O\n0.500063 0.209877 0.425037 O\n-0.000057 0.290214 0.925023 O\n0.178157 -0.011090 0.750015 O\n0.178118 0.011111 0.250103 O\n0.500057 0.790213 0.925023 O\n0.499944 0.209786 0.074977 O\n0.821882 -0.011111 0.749898 O\n0.000063 0.290124 0.574963 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sr",
"density": 3.622804868376708,
"density_atomic": 0.06428950764388833,
"volume": 373.31130505681443,
"volume_molar": 9.36722177646432,
"formula_full": "Sr4 Cr4 O16",
"formula_reduced": "SrCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1311879516666674,
"spacegroup": 63
},
{
"id": "jvasp-45292",
"created_at": "2022-09-04T14:38:33.404282Z",
"updated_at": "2022-09-04T14:38:33.404311Z",
"structure_string": "Hg2 B8 O14\n1.0\n4.220908 0.000000 0.000000\n0.000000 4.421792 0.000000\n0.000000 0.000000 10.762491\nHg B O\n2 8 14\ndirect\n0.404283 0.184354 0.500000 Hg\n0.904284 0.815645 0.000000 Hg\n0.408692 0.325923 0.879792 B\n0.928984 0.173645 0.248875 B\n0.428984 0.826354 0.251125 B\n0.908693 0.674077 0.620208 B\n0.908693 0.674077 0.379792 B\n0.408692 0.325923 0.120208 B\n0.928984 0.173645 0.751125 B\n0.428984 0.826354 0.748875 B\n0.016408 0.772452 0.500000 O\n0.516408 0.227548 0.000000 O\n0.573517 0.134489 0.222115 O\n0.073517 0.865511 0.277885 O\n0.073517 0.865511 0.722115 O\n0.573517 0.134489 0.777885 O\n0.570173 0.729478 0.365299 O\n0.980874 0.354506 0.359397 O\n0.980874 0.354506 0.640603 O\n0.480874 0.645494 0.859397 O\n0.070173 0.270521 0.865299 O\n0.070173 0.270521 0.134701 O\n0.480874 0.645494 0.140603 O\n0.570173 0.729478 0.634701 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"B",
"O"
],
"chemical_system": "B-Hg-O",
"density": 5.883075372317913,
"density_atomic": 0.11947973330855804,
"volume": 200.87088693125614,
"volume_molar": 5.0403031486919545,
"formula_full": "Hg2 B8 O14",
"formula_reduced": "HgB4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.185520786111112,
"spacegroup": 31
},
{
"id": "jvasp-111941",
"created_at": "2022-09-04T14:38:41.428481Z",
"updated_at": "2022-09-04T14:38:41.428519Z",
"structure_string": "Co8 O12 F4\n1.0\n5.234742 -0.002085 0.261848\n1.656029 4.965893 0.261848\n-0.069486 -0.050055 8.471573\nCo O F\n8 12 4\ndirect\n0.136634 0.136635 0.361150 Co\n0.863365 0.863366 0.638850 Co\n0.755081 0.755082 0.262663 Co\n0.499999 0.500001 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.392301 0.392301 0.133499 Co\n0.607698 0.607700 0.866501 Co\n0.244917 0.244919 0.737337 Co\n0.547540 0.939491 0.754900 O\n0.302389 0.697611 0.000000 O\n0.697610 0.302390 0.000000 O\n0.939489 0.547542 0.754900 O\n0.452458 0.060511 0.245100 O\n0.023376 0.023377 0.778012 O\n0.976623 0.976624 0.221988 O\n0.534795 0.534796 0.283065 O\n0.721925 0.721926 0.481113 O\n0.465204 0.465205 0.716935 O\n0.060510 0.452459 0.245100 O\n0.278074 0.278075 0.518887 O\n0.233161 0.233163 0.972313 F\n0.194316 0.805684 0.500000 F\n0.805683 0.194317 0.500000 F\n0.766838 0.766838 0.027688 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.571524558895397,
"density_atomic": 0.10889958419128319,
"volume": 220.3865164245601,
"volume_molar": 5.529994264644804,
"formula_full": "Co8 O12 F4",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.311117097083333,
"spacegroup": 12
}
]
}