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=density&page=653",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=651",
"results": [
{
"id": "jvasp-65105",
"created_at": "2022-09-04T14:38:08.742011Z",
"updated_at": "2022-09-04T14:38:08.742039Z",
"structure_string": "Mg4 Be1 Pd1\n1.0\n0.000000 3.838005 3.838005\n3.838005 0.000000 3.838005\n3.838005 3.838005 -0.000000\nMg Be Pd\n4 1 1\ndirect\n0.125784 0.624739 0.624739 Mg\n0.624739 0.624739 0.624739 Mg\n0.624739 0.125784 0.624739 Mg\n0.624739 0.624739 0.125784 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Pd"
],
"chemical_system": "Be-Mg-Pd",
"density": 3.1230025337117073,
"density_atomic": 0.053064569612592746,
"volume": 113.0697948518957,
"volume_molar": 11.348703671707318,
"formula_full": "Mg4 Be1 Pd1",
"formula_reduced": "Mg4BePd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0697530000000001,
"spacegroup": 216
},
{
"id": "jvasp-79567",
"created_at": "2022-09-04T14:37:12.877887Z",
"updated_at": "2022-09-04T14:37:12.877906Z",
"structure_string": "Al1 C3\n1.0\n3.223785 0.000000 0.000000\n0.000000 3.223785 0.000000\n-0.000000 0.000000 3.223785\nAl C\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500001 0.500001 C\n0.500001 0.000000 0.500001 C\n0.500001 0.500001 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 3.123096794874342,
"density_atomic": 0.11938830342253992,
"volume": 33.504119627558254,
"volume_molar": 5.044163110925865,
"formula_full": "Al1 C3",
"formula_reduced": "AlC3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.5993457,
"spacegroup": 221
},
{
"id": "jvasp-38110",
"created_at": "2022-09-04T14:38:28.794102Z",
"updated_at": "2022-09-04T14:38:28.794122Z",
"structure_string": "Rb2 Br1 Cl6 F1\n1.0\n-0.000000 5.043352 5.043352\n5.043352 -0.000000 5.043352\n5.043352 5.043352 0.000000\nRb Br Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Br\n0.254188 0.745812 0.745812 Cl\n0.254188 0.745812 0.254188 Cl\n0.745812 0.254188 0.745812 Cl\n0.745812 0.745812 0.254188 Cl\n0.254188 0.254188 0.745812 Cl\n0.745812 0.254188 0.254188 Cl\n0.000000 0.000000 0.000000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Br",
"Cl",
"F"
],
"chemical_system": "Br-Cl-F-Rb",
"density": 3.1232660641238255,
"density_atomic": 0.0389773368290049,
"volume": 256.5593448282624,
"volume_molar": 15.450364878491742,
"formula_full": "Rb2 Br1 Cl6 F1",
"formula_reduced": "Rb2BrCl6F",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-48584",
"created_at": "2022-09-04T14:36:53.044362Z",
"updated_at": "2022-09-04T14:36:53.044385Z",
"structure_string": "Li4 V2 O2 F8\n1.0\n5.034966 -0.001563 0.001049\n-2.516000 5.029524 -0.052708\n-0.002022 -2.521075 6.611908\nLi V O F\n4 2 2 8\ndirect\n0.368730 0.726189 0.262421 Li\n0.359059 0.726185 0.762420 Li\n0.660416 0.283633 0.233002 Li\n0.624842 0.283643 0.733001 Li\n0.977772 0.997050 0.529400 V\n0.020896 0.997064 0.029406 V\n0.154385 0.993853 0.244230 O\n0.841054 0.993816 0.744221 O\n0.594592 0.829316 0.041221 F\n0.236311 0.829290 0.541207 F\n0.662831 0.634204 0.349237 F\n0.031527 0.363495 0.136007 F\n0.972991 0.634211 0.849254 F\n0.333570 0.363485 0.636023 F\n0.760438 0.169264 0.450140 F\n0.410434 0.169263 0.950128 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.1232724194126087,
"density_atomic": 0.09595308969542855,
"volume": 166.7481479834232,
"volume_molar": 6.276130116409279,
"formula_full": "Li4 V2 O2 F8",
"formula_reduced": "Li2VOF4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.72810110375,
"spacegroup": 9
},
{
"id": "jvasp-99804",
"created_at": "2022-09-04T14:36:18.535793Z",
"updated_at": "2022-09-04T14:36:18.535819Z",
"structure_string": "Li6 Yb2\n1.0\n6.731938 -0.000000 -0.000000\n-3.365969 5.830030 0.000000\n-0.000000 -0.000000 5.252286\nYb Li\n2 6\ndirect\n0.333333 0.666667 0.750001 Yb\n0.666667 0.333333 0.250000 Yb\n0.146638 0.293277 0.250000 Li\n0.706723 0.853362 0.250000 Li\n0.146638 0.853362 0.250000 Li\n0.853362 0.706723 0.750001 Li\n0.293277 0.146638 0.750001 Li\n0.853362 0.146638 0.750001 Li\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Li"
],
"chemical_system": "Li-Yb",
"density": 3.12330760492959,
"density_atomic": 0.03880884550463874,
"volume": 206.13857217277376,
"volume_molar": 15.517443721123286,
"formula_full": "Li6 Yb2",
"formula_reduced": "Li3Yb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4752141666666667,
"spacegroup": 194
},
{
"id": "jvasp-22593",
"created_at": "2022-09-04T14:36:00.044808Z",
"updated_at": "2022-09-04T14:36:00.044827Z",
"structure_string": "K2 Mn1 F6\n1.0\n4.941687 0.000000 2.853085\n1.647229 4.659068 2.853085\n0.000000 0.000000 5.706170\nK Mn F\n2 1 6\ndirect\n0.750000 0.750000 0.749998 K\n0.250000 0.250000 0.249999 K\n0.000000 0.000000 0.000000 Mn\n0.226452 0.773548 0.773547 F\n0.226452 0.773548 0.226451 F\n0.773548 0.226452 0.773547 F\n0.773548 0.226452 0.226451 F\n0.773548 0.773548 0.226451 F\n0.226452 0.226452 0.773547 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Mn",
"F"
],
"chemical_system": "F-K-Mn",
"density": 3.123538785782796,
"density_atomic": 0.06850519705165364,
"volume": 131.37689383206802,
"volume_molar": 8.790779414092105,
"formula_full": "K2 Mn1 F6",
"formula_reduced": "K2MnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0223177777777777,
"spacegroup": 225
},
{
"id": "jvasp-118559",
"created_at": "2022-09-04T14:38:51.573622Z",
"updated_at": "2022-09-04T14:38:51.573633Z",
"structure_string": "Li1 S1 I1\n1.0\n5.061686 0.000000 -0.000000\n-2.530843 4.383549 0.000000\n-0.000000 -0.000000 3.974746\nLi S I\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Li\n0.666667 0.333333 0.000000 S\n0.000000 0.000000 0.000000 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"S",
"I"
],
"chemical_system": "I-Li-S",
"density": 3.123866344899575,
"density_atomic": 0.03401659253496136,
"volume": 88.19225490962033,
"volume_molar": 17.70353910025116,
"formula_full": "Li1 S1 I1",
"formula_reduced": "LiSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6384954250000001,
"spacegroup": 187
},
{
"id": "jvasp-108583",
"created_at": "2022-09-04T14:37:54.728363Z",
"updated_at": "2022-09-04T14:37:54.728389Z",
"structure_string": "K2 Al1 Hg1 Cl6\n1.0\n6.326027 -0.000000 3.652334\n2.108676 5.964236 3.652334\n-0.000000 -0.000000 7.304667\nK Al Hg Cl\n2 1 1 6\ndirect\n0.750001 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 Hg\n0.773453 0.226547 0.226547 Cl\n0.226547 0.226547 0.773453 Cl\n0.226548 0.773453 0.773452 Cl\n0.226548 0.773453 0.226546 Cl\n0.773453 0.226547 0.773452 Cl\n0.773453 0.773453 0.226546 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Al",
"Hg",
"Cl"
],
"chemical_system": "Al-Cl-Hg-K",
"density": 3.123920437257103,
"density_atomic": 0.03628387955269492,
"volume": 275.60448671088335,
"volume_molar": 16.59729013060489,
"formula_full": "K2 Al1 Hg1 Cl6",
"formula_reduced": "K2AlHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-50339",
"created_at": "2022-09-04T14:36:19.076547Z",
"updated_at": "2022-09-04T14:36:19.076569Z",
"structure_string": "Rb4 Be4 O6\n1.0\n0.000000 4.991001 0.022842\n8.645192 0.000000 0.000000\n0.000000 -2.788671 -5.851076\nRb Be O\n4 4 6\ndirect\n0.225185 0.346802 0.935312 Rb\n0.225185 0.153198 0.435312 Rb\n0.774816 0.846802 0.564689 Rb\n0.774815 0.653198 0.064689 Rb\n0.302467 0.508346 0.503345 Be\n0.697534 0.008346 0.996656 Be\n0.302467 0.991654 0.003345 Be\n0.697534 0.491654 0.496656 Be\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.393991 0.942371 0.807321 O\n0.606010 0.442371 0.692681 O\n0.393991 0.557628 0.307320 O\n0.606009 0.057629 0.192681 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Be",
"O"
],
"chemical_system": "Be-O-Rb",
"density": 3.1239284291947014,
"density_atomic": 0.05557485544956462,
"volume": 251.9124860829427,
"volume_molar": 10.836088931378729,
"formula_full": "Rb4 Be4 O6",
"formula_reduced": "Rb2Be2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.1465746714285716,
"spacegroup": 14
},
{
"id": "jvasp-90788",
"created_at": "2022-09-04T14:36:00.533907Z",
"updated_at": "2022-09-04T14:36:00.533934Z",
"structure_string": "Mg4 Ti4\n1.0\n4.322684 0.000000 0.000000\n0.000000 8.210460 0.000000\n0.000000 0.000000 4.323622\nMg Ti\n4 4\ndirect\n0.000000 0.244091 0.583343 Mg\n0.000000 0.500000 0.083359 Mg\n0.000000 0.755909 0.583343 Mg\n0.500000 0.500000 0.583394 Mg\n0.000000 0.000000 0.083318 Ti\n0.500000 0.000000 0.583294 Ti\n0.500000 0.217101 0.083307 Ti\n0.500000 0.782899 0.083307 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.12398638908032,
"density_atomic": 0.05213402919100819,
"volume": 153.45063721604313,
"volume_molar": 11.551266712833828,
"formula_full": "Mg4 Ti4",
"formula_reduced": "MgTi",
"formula_anonymous": "AB",
"energy_above_hull": 1.222345,
"spacegroup": 123
},
{
"id": "jvasp-40499",
"created_at": "2022-09-04T14:38:33.665655Z",
"updated_at": "2022-09-04T14:38:33.665682Z",
"structure_string": "Rb3 Ca3 C3 O9 F3\n1.0\n9.206186 0.000000 0.000000\n-4.603093 7.972855 0.000000\n0.000000 0.000000 4.443823\nRb Ca C O F\n3 3 3 9 3\ndirect\n-0.000003 0.718495 0.000000 Rb\n0.281500 0.281505 0.000000 Rb\n0.718490 0.000000 0.000000 Rb\n0.612641 0.612646 0.500000 Ca\n0.387350 0.000000 0.500000 Ca\n-0.000006 0.387352 0.500000 Ca\n0.333328 0.666665 0.500000 C\n-0.000005 0.000000 0.500000 C\n0.666665 0.333334 0.500000 C\n0.795042 0.484522 0.500000 O\n0.515476 0.310527 0.500000 O\n0.689467 0.204952 0.500000 O\n0.310518 0.515476 0.500000 O\n0.140475 0.000000 0.500000 O\n0.484515 0.795047 0.500000 O\n-0.000001 0.140481 0.500000 O\n0.859518 0.859518 0.500000 O\n0.204949 0.689473 0.500000 O\n0.385212 0.000000 0.000000 F\n0.614777 0.614787 0.000000 F\n0.999990 0.385212 0.000000 F\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Rb",
"Ca",
"C",
"O",
"F"
],
"chemical_system": "C-Ca-F-O-Rb",
"density": 3.1241081609968675,
"density_atomic": 0.06438266232591026,
"volume": 326.17476881736104,
"volume_molar": 9.353668429421939,
"formula_full": "Rb3 Ca3 C3 O9 F3",
"formula_reduced": "RbCaCO3F",
"formula_anonymous": "ABCDE3",
"energy_above_hull": 1.544343028928571,
"spacegroup": 189
},
{
"id": "jvasp-99030",
"created_at": "2022-09-04T14:36:31.676034Z",
"updated_at": "2022-09-04T14:36:31.676061Z",
"structure_string": "Rb4 S4 F20\n1.0\n6.018661 -0.000000 0.000000\n-0.000000 7.693199 0.000000\n0.000000 0.000000 9.758248\nRb S F\n4 4 20\ndirect\n0.250000 0.852568 0.156608 Rb\n0.750000 0.352568 0.343392 Rb\n0.250000 0.647433 0.656608 Rb\n0.750000 0.147433 0.843392 Rb\n0.250000 0.354171 0.097026 S\n0.750000 0.645829 0.902974 S\n0.750000 0.854172 0.402974 S\n0.250000 0.145829 0.597026 S\n0.037685 0.309704 0.579248 F\n0.537685 0.690296 0.420752 F\n0.962315 0.809704 0.920752 F\n0.462315 0.190296 0.079248 F\n0.955702 0.006695 0.355101 F\n0.455702 -0.006695 0.644899 F\n0.250000 0.201525 0.757548 F\n0.044298 -0.006695 0.644899 F\n0.544297 0.006695 0.355101 F\n0.955702 0.493305 0.855101 F\n0.455702 0.506695 0.144899 F\n0.537685 0.809704 0.920752 F\n0.037685 0.190296 0.079248 F\n0.462315 0.309704 0.579248 F\n0.962315 0.690296 0.420752 F\n0.250000 0.298475 0.257548 F\n0.750000 0.701525 0.742453 F\n0.750000 0.798475 0.242453 F\n0.544297 0.493305 0.855101 F\n0.044298 0.506695 0.144899 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"S",
"F"
],
"chemical_system": "F-Rb-S",
"density": 3.124208700081888,
"density_atomic": 0.06196969107555012,
"volume": 451.83378380673065,
"volume_molar": 9.717880879312645,
"formula_full": "Rb4 S4 F20",
"formula_reduced": "RbSF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}