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=403",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=401",
"results": [
{
"id": "jvasp-45373",
"created_at": "2022-09-04T14:37:14.219996Z",
"updated_at": "2022-09-04T14:37:14.220018Z",
"structure_string": "Ba4 Mg2 Si4 O14\n1.0\n8.271139 0.000000 0.000000\n0.000000 8.271139 0.000000\n0.000000 -0.000000 5.463503\nBa Mg Si O\n4 2 4 14\ndirect\n0.664424 0.164424 0.509623 Ba\n0.835576 0.664424 0.490377 Ba\n0.164424 0.335576 0.490377 Ba\n0.335576 0.835576 0.509623 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.862643 0.362642 0.955492 Si\n0.137358 0.637358 0.955492 Si\n0.637358 0.862643 0.044507 Si\n0.362642 0.137358 0.044507 Si\n0.000000 0.500000 0.860429 O\n0.500000 0.000000 0.139571 O\n0.640225 0.859775 0.747484 O\n0.859775 0.359775 0.252516 O\n0.077531 0.806304 0.822182 O\n0.193697 0.077531 0.177817 O\n0.306303 0.577531 0.822182 O\n0.922469 0.193697 0.822182 O\n0.577531 0.693697 0.177817 O\n0.422469 0.306303 0.177817 O\n0.140225 0.640225 0.252516 O\n0.693697 0.422469 0.822182 O\n0.806304 0.922469 0.177817 O\n0.359775 0.140225 0.747484 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si",
"density": 4.150602306707732,
"density_atomic": 0.06421099756445713,
"volume": 373.76774867744433,
"volume_molar": 9.378674975349472,
"formula_full": "Ba4 Mg2 Si4 O14",
"formula_reduced": "Ba2MgSi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.953120224166667,
"spacegroup": 113
},
{
"id": "jvasp-62982",
"created_at": "2022-09-04T14:35:42.985577Z",
"updated_at": "2022-09-04T14:35:42.985605Z",
"structure_string": "Au6 F18\n1.0\n2.547289 -4.412034 0.000000\n2.547289 4.412034 -0.000000\n-0.000000 -0.000000 16.628551\nAu F\n6 18\ndirect\n0.516821 0.758411 0.583333 Au\n0.241590 0.483180 0.250000 Au\n0.241590 0.758411 0.916667 Au\n0.483180 0.241590 0.083333 Au\n0.758411 0.516821 0.750000 Au\n0.758411 0.241590 0.416667 Au\n0.789828 0.317712 0.004485 F\n0.472117 0.789828 0.171152 F\n0.317712 0.527883 0.837818 F\n0.210172 0.682289 0.504485 F\n0.210172 0.527883 0.662182 F\n0.472117 0.682289 0.995515 F\n0.317712 0.789828 0.328848 F\n0.789828 0.472117 0.162182 F\n0.842278 0.842278 0.666667 F\n0.682289 0.210172 0.828848 F\n0.682289 0.472117 0.337818 F\n0.157722 0.000000 0.000000 F\n0.000000 0.157722 0.333333 F\n0.157722 0.157722 0.166667 F\n0.842278 0.000001 0.500000 F\n0.000001 0.842278 0.833333 F\n0.527883 0.317712 0.495515 F\n0.527883 0.210172 0.671152 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Au",
"F"
],
"chemical_system": "Au-F",
"density": 6.769665883928107,
"density_atomic": 0.06421104953668551,
"volume": 373.7674461509643,
"volume_molar": 9.378667384278447,
"formula_full": "Au6 F18",
"formula_reduced": "AuF3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.499999999997174e-05,
"spacegroup": 178
},
{
"id": "jvasp-59619",
"created_at": "2022-09-04T14:37:16.487281Z",
"updated_at": "2022-09-04T14:37:16.487302Z",
"structure_string": "Al16 Cr10\n1.0\n7.438494 -0.076203 -2.627088\n-3.691689 6.458206 -2.627088\n-0.044739 -0.076203 7.888649\nAl Cr\n16 10\ndirect\n0.699112 0.699113 0.699112 Al\n0.283056 0.041467 0.667118 Al\n0.041466 0.667118 0.283056 Al\n0.667117 0.283056 0.041466 Al\n0.041466 0.283056 0.667118 Al\n0.283056 0.667118 0.041466 Al\n0.381776 0.733712 0.733711 Al\n0.733711 0.733712 0.381776 Al\n0.667117 0.041467 0.283056 Al\n0.555429 0.336428 0.336427 Al\n0.336427 0.336428 0.555429 Al\n0.336427 0.555429 0.336427 Al\n-0.000077 0.643129 0.643128 Al\n0.643128 0.643129 -0.000077 Al\n0.643128 -0.000076 0.643128 Al\n0.733710 0.381777 0.733711 Al\n0.363631 0.017447 0.363631 Cr\n0.330526 0.986086 0.986085 Cr\n0.986085 0.986086 0.330526 Cr\n0.986085 0.330527 0.986085 Cr\n0.019220 0.800420 0.019220 Cr\n0.019220 0.019220 0.800420 Cr\n0.149680 0.149681 0.149680 Cr\n0.363631 0.363631 0.017447 Cr\n0.800420 0.019220 0.019219 Cr\n0.017447 0.363631 0.363631 Cr\n",
"nsites": 26,
"nelements": 2,
"elements": [
"Al",
"Cr"
],
"chemical_system": "Al-Cr",
"density": 4.228168568503106,
"density_atomic": 0.06956522030166612,
"volume": 373.7499843636273,
"volume_molar": 8.656826980329086,
"formula_full": "Al16 Cr10",
"formula_reduced": "Al8Cr5",
"formula_anonymous": "A5B8",
"energy_above_hull": 3.536288415384616,
"spacegroup": 160
},
{
"id": "jvasp-91250",
"created_at": "2022-09-04T14:35:55.587377Z",
"updated_at": "2022-09-04T14:35:55.587410Z",
"structure_string": "Na8 Be4 Ge4 O16\n1.0\n5.041269 0.000000 0.000000\n0.000000 7.284638 -0.040596\n0.000000 -0.005757 10.176962\nNa Be Ge O\n8 4 4 16\ndirect\n0.182920 0.739225 0.638100 Na\n0.682921 0.260775 0.861899 Na\n0.817080 0.260775 0.361900 Na\n0.317080 0.739225 0.138100 Na\n0.291187 0.001018 0.391125 Na\n0.791187 0.998982 0.108874 Na\n0.708813 0.998982 0.608874 Na\n0.208813 0.001018 0.891125 Na\n0.656957 0.499481 0.587042 Be\n0.343043 0.500519 0.412958 Be\n0.843043 0.499481 0.087042 Be\n0.156957 0.500518 0.912958 Be\n0.656134 0.721586 0.839908 Ge\n0.156134 0.278413 0.660091 Ge\n0.843867 0.721587 0.339909 Ge\n0.343867 0.278414 0.160090 Ge\n0.238819 0.049872 0.621917 O\n0.738819 0.950128 0.878082 O\n0.761181 0.950128 0.378082 O\n0.261181 0.049872 0.121917 O\n0.780000 0.686408 0.168349 O\n0.280000 0.313592 0.331650 O\n0.690033 0.311686 0.127326 O\n0.809967 0.311686 0.627326 O\n0.190033 0.688314 0.372674 O\n0.309967 0.688314 0.872674 O\n0.329423 0.456036 0.574713 O\n0.829423 0.543964 0.925286 O\n0.670577 0.543964 0.425286 O\n0.170577 0.456036 0.074713 O\n0.720000 0.686408 0.668349 O\n0.220000 0.313591 0.831650 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"Be",
"Ge",
"O"
],
"chemical_system": "Be-Ge-Na-O",
"density": 3.4057002244530206,
"density_atomic": 0.08562199598755334,
"volume": 373.7357396416192,
"volume_molar": 7.033403847389196,
"formula_full": "Na8 Be4 Ge4 O16",
"formula_reduced": "Na2BeGeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.30595050625,
"spacegroup": 14
},
{
"id": "jvasp-10574",
"created_at": "2022-09-04T14:37:19.233161Z",
"updated_at": "2022-09-04T14:37:19.233184Z",
"structure_string": "Ta2 Tl2 Cu4 S8\n1.0\n5.303715 0.000000 -1.619082\n0.000000 7.380482 0.000000\n0.013787 -0.000000 9.541542\nTa Tl Cu S\n2 2 4 8\ndirect\n0.389828 0.250000 0.772958 Ta\n0.616870 0.750000 0.227042 Ta\n0.449859 0.250000 0.364122 Tl\n0.085737 0.750000 0.635878 Tl\n0.111836 0.750000 0.216845 Cu\n0.526681 0.000000 0.000000 Cu\n0.894992 0.250000 0.783156 Cu\n0.526681 0.500000 0.000000 Cu\n0.638474 0.503791 0.782260 S\n0.856215 0.496209 0.217741 S\n0.638474 -0.003791 0.782260 S\n0.856215 0.003791 0.217741 S\n0.038874 0.250000 0.573619 S\n0.272614 0.750000 0.015208 S\n0.257408 0.250000 0.984792 S\n0.465256 0.750000 0.426382 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ta",
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ta-Tl",
"density": 5.694392764438989,
"density_atomic": 0.04281983464217412,
"volume": 373.6586125029375,
"volume_molar": 14.06390475424366,
"formula_full": "Ta2 Tl2 Cu4 S8",
"formula_reduced": "TaTl(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7778215874999996,
"spacegroup": 40
},
{
"id": "jvasp-28609",
"created_at": "2022-09-04T14:38:01.499852Z",
"updated_at": "2022-09-04T14:38:01.499879Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.410031 0.000001 0.000000\n-1.705016 2.953180 -0.000024\n-0.000001 -0.000358 37.102323\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333330 0.666661 0.326202 Te\n0.666665 0.333331 0.421864 Te\n0.666674 0.333347 0.523396 Te\n0.333315 0.666633 0.224614 Te\n0.333318 0.666637 0.096397 Mo\n0.666687 0.333376 0.658479 Mo\n0.333335 0.666671 0.472642 W\n0.666657 0.333315 0.275435 W\n0.333356 0.666715 0.702799 Se\n0.333349 0.666700 0.614084 Se\n0.666643 0.333287 0.055985 S\n0.666661 0.333321 0.136850 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.742031246052048,
"density_atomic": 0.03211676729188798,
"volume": 373.63660828438816,
"volume_molar": 18.75076873481306,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.4677708,
"spacegroup": 156
},
{
"id": "jvasp-33824",
"created_at": "2022-09-04T14:38:05.978034Z",
"updated_at": "2022-09-04T14:38:05.978067Z",
"structure_string": "Tm2 I6\n1.0\n10.464590 -0.000000 -0.000000\n-5.232294 9.062601 -0.000000\n0.000000 -0.000000 3.939771\nTm I\n2 6\ndirect\n0.333334 0.666668 0.749999 Tm\n0.666668 0.333333 0.249998 Tm\n0.207492 0.414984 0.249998 I\n0.585016 0.792508 0.249998 I\n0.207493 0.792508 0.249998 I\n0.792510 0.585017 0.749999 I\n0.414984 0.207490 0.749999 I\n0.792508 0.207490 0.749999 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"I"
],
"chemical_system": "I-Tm",
"density": 4.885594169193026,
"density_atomic": 0.02141134408498535,
"volume": 373.6337134299747,
"volume_molar": 28.125935186960124,
"formula_full": "Tm2 I6",
"formula_reduced": "TmI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-91429",
"created_at": "2022-09-04T14:36:04.712814Z",
"updated_at": "2022-09-04T14:36:04.712840Z",
"structure_string": "Na4 Sn2 C8 O16\n1.0\n5.467370 -0.000002 1.198625\n2.670525 5.208524 0.887364\n-0.009127 -0.148499 13.109832\nNa Sn C O\n4 2 8 16\ndirect\n0.826959 0.326886 0.051416 Na\n0.173040 0.673113 0.948585 Na\n0.205258 0.173114 0.448583 Na\n0.794741 0.826886 0.551417 Na\n0.853497 0.750004 0.250001 Sn\n0.146502 0.249995 0.749999 Sn\n0.600155 0.081868 0.888974 C\n0.399844 0.918132 0.111026 C\n0.686843 0.318922 0.364719 C\n0.571005 0.418127 0.611028 C\n0.629517 0.818914 0.864717 C\n0.370482 0.181085 0.135283 C\n0.313156 0.681078 0.635281 C\n0.428994 0.581872 0.388973 C\n0.601959 0.716252 0.140725 O\n0.333022 0.880475 0.598049 O\n0.902782 0.326003 0.312214 O\n0.097217 0.673996 0.687786 O\n0.458923 0.783754 0.359268 O\n0.232590 0.919404 0.060560 O\n0.767409 0.080595 0.939440 O\n0.541000 0.174002 0.187789 O\n0.811550 0.619517 0.901948 O\n0.398040 0.283747 0.859275 O\n0.459000 0.825997 0.812211 O\n0.212547 0.580600 0.439439 O\n0.188449 0.380483 0.098053 O\n0.666978 0.119524 0.401951 O\n0.541076 0.216246 0.640732 O\n0.787452 0.419399 0.560562 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Na",
"Sn",
"C",
"O"
],
"chemical_system": "C-Na-O-Sn",
"density": 3.028619425553646,
"density_atomic": 0.08029335949424114,
"volume": 373.62990151323385,
"volume_molar": 7.500172863525437,
"formula_full": "Na4 Sn2 C8 O16",
"formula_reduced": "Na2Sn(CO2)4",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.415696513333334,
"spacegroup": 15
},
{
"id": "jvasp-117094",
"created_at": "2022-09-04T14:38:48.521446Z",
"updated_at": "2022-09-04T14:38:48.521473Z",
"structure_string": "V6 O2 F22\n1.0\n5.012519 0.004753 -0.005669\n-0.002646 5.334262 -0.872545\n-0.002092 0.137135 13.951158\nV O F\n6 2 22\ndirect\n-0.001308 0.003180 -0.000516 V\n0.451047 0.172721 0.330533 V\n0.010577 0.310655 0.666064 V\n0.498620 0.503285 -0.000156 V\n0.960527 0.672019 0.333350 V\n0.529250 0.780683 0.662559 V\n0.394992 0.136817 0.215608 O\n0.710148 0.523871 0.635179 O\n0.215484 0.632577 0.700726 F\n0.624799 0.526475 0.117937 F\n0.884288 0.699229 0.456165 F\n0.619163 0.874447 0.784590 F\n0.663547 0.844763 0.299291 F\n0.388952 0.815895 0.549866 F\n0.121258 0.982044 0.881138 F\n0.277781 0.474048 0.370985 F\n0.124850 0.654833 0.221598 F\n0.187420 0.322654 0.032547 F\n0.125806 0.314237 0.547989 F\n0.780194 0.372691 0.297974 F\n0.391264 0.478207 0.879406 F\n0.312550 0.817559 0.031862 F\n0.891909 0.367533 0.785712 F\n0.649950 0.185101 0.441674 F\n0.893582 0.026842 0.120165 F\n0.306479 0.137711 0.699236 F\n0.687140 0.184601 0.967690 F\n0.815512 0.009475 0.633065 F\n0.812335 0.688715 0.966830 F\n0.171880 0.987126 0.370944 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.3582252685301364,
"density_atomic": 0.08029393657663375,
"volume": 373.6272161892018,
"volume_molar": 7.500118958861081,
"formula_full": "V6 O2 F22",
"formula_reduced": "V3OF11",
"formula_anonymous": "AB3C11",
"energy_above_hull": 0.9595666138333332,
"spacegroup": 1
},
{
"id": "jvasp-117334",
"created_at": "2022-09-04T14:38:26.140225Z",
"updated_at": "2022-09-04T14:38:26.140253Z",
"structure_string": "Ga18 Rh4\n1.0\n6.465560 0.000000 0.000000\n0.000000 6.476755 0.340012\n-0.000000 -0.052518 8.917440\nGa Rh\n18 4\ndirect\n0.500000 -0.000000 0.500000 Ga\n0.604853 0.202756 0.957580 Ga\n0.104853 0.797244 0.542420 Ga\n0.395147 0.797245 0.042420 Ga\n0.895147 0.202756 0.457580 Ga\n0.197587 0.396508 0.004879 Ga\n0.697587 0.603493 0.495121 Ga\n0.802413 0.603493 0.995121 Ga\n0.284430 0.101757 0.772821 Ga\n0.302413 0.396507 0.504879 Ga\n0.715570 0.898243 0.227178 Ga\n0.215570 0.101757 0.272821 Ga\n0.990502 0.398609 0.727739 Ga\n0.490502 0.601391 0.772260 Ga\n0.009498 0.601391 0.272260 Ga\n0.509498 0.398609 0.227739 Ga\n0.000000 0.000000 0.000000 Ga\n0.784430 0.898243 0.727178 Ga\n0.128311 0.739593 0.831110 Rh\n0.871689 0.260407 0.168890 Rh\n0.371689 0.739593 0.331110 Rh\n0.628311 0.260407 0.668890 Rh\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh",
"density": 7.408866893087656,
"density_atomic": 0.0588958395828077,
"volume": 373.5408163944746,
"volume_molar": 10.225069890603827,
"formula_full": "Ga18 Rh4",
"formula_reduced": "Ga9Rh2",
"formula_anonymous": "A2B9",
"energy_above_hull": 0.1721515386363635,
"spacegroup": 14
},
{
"id": "jvasp-120436",
"created_at": "2022-09-04T14:38:44.656737Z",
"updated_at": "2022-09-04T14:38:44.656769Z",
"structure_string": "Na4 Cl12\n1.0\n5.662046 0.000000 0.000000\n0.000000 7.893322 0.000000\n-0.000000 -0.000000 8.357668\nNa Cl\n4 12\ndirect\n0.250000 0.040381 0.821529 Na\n0.250000 0.459619 0.321529 Na\n0.750001 0.959619 0.178472 Na\n0.750001 0.540380 0.678472 Na\n0.250000 0.347076 0.640823 Cl\n0.250000 0.152924 0.140823 Cl\n0.750001 0.652924 0.359177 Cl\n0.750001 0.847076 0.859177 Cl\n0.250000 0.783420 0.580568 Cl\n0.250000 0.716580 0.080568 Cl\n0.750001 0.216580 0.419432 Cl\n0.750001 0.283420 0.919432 Cl\n0.250000 0.544077 0.874700 Cl\n0.250000 0.955923 0.374700 Cl\n0.750001 0.455923 0.125300 Cl\n0.750001 0.044077 0.625300 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Na",
"Cl"
],
"chemical_system": "Cl-Na",
"density": 2.3001335955706486,
"density_atomic": 0.042835284359400504,
"volume": 373.52384230148544,
"volume_molar": 14.058832222222422,
"formula_full": "Na4 Cl12",
"formula_reduced": "NaCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.25060703375,
"spacegroup": 62
},
{
"id": "jvasp-49973",
"created_at": "2022-09-04T14:38:14.854181Z",
"updated_at": "2022-09-04T14:38:14.854204Z",
"structure_string": "Ga12 N4 O12\n1.0\n4.114695 -7.126860 -0.000000\n4.114695 7.126860 0.000000\n-0.000000 -0.000000 6.367228\nGa N O\n12 4 12\ndirect\n0.403948 0.170692 0.500000 Ga\n0.412167 0.173883 0.000000 Ga\n0.829307 0.233255 0.500000 Ga\n0.826116 0.238284 0.000000 Ga\n0.761715 0.587832 0.000000 Ga\n0.766744 0.596051 0.500000 Ga\n0.239900 0.404116 0.256324 Ga\n0.239900 0.404116 0.743676 Ga\n0.164216 0.760100 0.256324 Ga\n0.164216 0.760100 0.743676 Ga\n0.595883 0.835783 0.743676 Ga\n0.595883 0.835783 0.256324 Ga\n0.662629 0.975426 0.500000 N\n0.024572 0.687201 0.500000 N\n0.312799 0.337370 0.500000 N\n0.666666 0.333332 0.000000 N\n0.332243 0.024808 0.247197 O\n0.332243 0.024808 0.752804 O\n0.666666 0.333332 0.500000 O\n0.975192 0.307434 0.247197 O\n0.975192 0.307434 0.752804 O\n0.692564 0.667756 0.752804 O\n0.692564 0.667756 0.247197 O\n0.288815 0.319817 0.000000 O\n0.031001 0.711184 0.000000 O\n0.333332 0.666666 0.770225 O\n0.333332 0.666666 0.229775 O\n0.680182 0.968998 0.000000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O",
"density": 4.823260321105465,
"density_atomic": 0.07497936493925263,
"volume": 373.4360783488265,
"volume_molar": 8.031730816710791,
"formula_full": "Ga12 N4 O12",
"formula_reduced": "Ga3NO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.5874758178571429,
"spacegroup": 174
}
]
}