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=-spacegroup&page=3489",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3487",
"results": [
{
"id": "jvasp-104792",
"created_at": "2022-09-04T14:36:50.118111Z",
"updated_at": "2022-09-04T14:36:50.118136Z",
"structure_string": "Li2 Mn2 F6\n1.0\n5.084889 -0.002227 0.000000\n-4.196862 2.870966 0.000000\n-0.000000 -0.000000 7.602907\nLi Mn F\n2 2 6\ndirect\n0.742208 0.257792 0.250000 Li\n0.257794 0.742208 0.750000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.894103 0.105896 0.750000 F\n0.638349 0.361651 0.577406 F\n0.638349 0.361651 0.922594 F\n0.361652 0.638350 0.422594 F\n0.361652 0.638350 0.077406 F\n0.105899 0.894104 0.250000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.5592281892772304,
"density_atomic": 0.09015481624813736,
"volume": 110.92030815610036,
"volume_molar": 6.679777088586124,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.427379617775862,
"spacegroup": 63
},
{
"id": "jvasp-103642",
"created_at": "2022-09-04T14:36:50.192330Z",
"updated_at": "2022-09-04T14:36:50.192345Z",
"structure_string": "Ca2 Tl2 Br6\n1.0\n7.314471 0.040535 0.000000\n-6.101615 4.034034 0.000000\n-0.000000 -0.000000 10.886444\nCa Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.256103 0.743895 0.250000 Tl\n0.743895 0.256103 0.750000 Tl\n0.636574 0.363424 0.049260 Br\n0.363424 0.636574 0.950739 Br\n0.363424 0.636574 0.549260 Br\n0.636574 0.363424 0.450740 Br\n0.935046 0.064951 0.250000 Br\n0.064952 0.935046 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Br"
],
"chemical_system": "Br-Ca-Tl",
"density": 4.964165876557798,
"density_atomic": 0.030872113017127223,
"volume": 323.91692769627406,
"volume_molar": 19.506733331337045,
"formula_full": "Ca2 Tl2 Br6",
"formula_reduced": "CaTlBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-2577",
"created_at": "2022-09-04T14:36:50.423669Z",
"updated_at": "2022-09-04T14:36:50.423689Z",
"structure_string": "Rb2 Au2 O4\n1.0\n4.209070 0.000000 -1.560436\n0.000000 6.105873 0.000000\n0.056965 0.000000 6.610579\nRb Au O\n2 2 4\ndirect\n0.296217 0.750000 0.592434 Rb\n0.703782 0.250000 0.407565 Rb\n0.997138 0.250000 0.994278 Au\n0.002861 0.750000 0.005721 Au\n0.892730 0.505232 0.785461 O\n0.107269 0.494768 0.214538 O\n0.892730 0.994767 0.785461 O\n0.107269 0.005232 0.214538 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Au",
"O"
],
"chemical_system": "Au-O-Rb",
"density": 6.127013075222523,
"density_atomic": 0.04693873144165853,
"volume": 170.4349426218181,
"volume_molar": 12.8297901861389,
"formula_full": "Rb2 Au2 O4",
"formula_reduced": "RbAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9162577199999998,
"spacegroup": 63
},
{
"id": "jvasp-79440",
"created_at": "2022-09-04T14:36:50.729577Z",
"updated_at": "2022-09-04T14:36:50.729614Z",
"structure_string": "Y2 Si2\n1.0\n0.000000 -0.000000 -3.858336\n-4.285054 -0.000000 0.000000\n2.142528 5.287577 -0.000000\nY Si\n2 2\ndirect\n0.750001 0.140333 0.280667 Y\n0.250000 0.859665 0.719333 Y\n0.750001 0.422619 0.845241 Si\n0.250000 0.577379 0.154759 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Si"
],
"chemical_system": "Si-Y",
"density": 4.44446813054027,
"density_atomic": 0.045755883139560395,
"volume": 87.42045231210088,
"volume_molar": 13.161456728158475,
"formula_full": "Y2 Si2",
"formula_reduced": "YSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.585062025,
"spacegroup": 63
},
{
"id": "jvasp-47897",
"created_at": "2022-09-04T14:36:50.849869Z",
"updated_at": "2022-09-04T14:36:50.849899Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n2.620807 4.070036 0.000000\n-2.620807 4.070036 0.000000\n0.000000 0.000000 5.943863\nLi Co Si O\n2 2 2 8\ndirect\n0.332030 0.332030 0.750000 Li\n0.667971 0.667971 0.250000 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.342170 0.342170 0.250000 Si\n0.657831 0.657831 0.750000 Si\n0.272721 0.771001 0.750000 O\n0.229000 0.727280 0.250000 O\n0.232300 0.232300 0.025157 O\n0.232300 0.232300 0.474842 O\n0.767701 0.767701 0.525157 O\n0.767701 0.767701 0.974842 O\n0.727280 0.229000 0.250000 O\n0.771001 0.272721 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 4.137011268528284,
"density_atomic": 0.11040683455218187,
"volume": 126.80374414124829,
"volume_molar": 5.454499972240161,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.436046214285714,
"spacegroup": 63
},
{
"id": "jvasp-79797",
"created_at": "2022-09-04T14:36:51.049393Z",
"updated_at": "2022-09-04T14:36:51.049412Z",
"structure_string": "Zr2 Ni2\n1.0\n3.152576 -0.000000 -1.036793\n-0.000000 4.056367 -0.000000\n-0.020367 0.000000 5.249480\nZr Ni\n2 2\ndirect\n0.639131 0.250000 0.278261 Zr\n0.360869 0.750001 0.721740 Zr\n0.916056 0.250000 0.832111 Ni\n0.083945 0.750001 0.167889 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 7.426198266074885,
"density_atomic": 0.05966166873948685,
"volume": 67.04472208891829,
"volume_molar": 10.093818840863678,
"formula_full": "Zr2 Ni2",
"formula_reduced": "ZrNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.5226334499999998,
"spacegroup": 63
},
{
"id": "jvasp-9692",
"created_at": "2022-09-04T14:36:51.326704Z",
"updated_at": "2022-09-04T14:36:51.326719Z",
"structure_string": "Ti2 Al4 O10\n1.0\n3.616516 0.000000 0.000000\n-1.808258 4.721353 -0.000000\n0.000000 0.000000 9.742954\nTi Al O\n2 4 10\ndirect\n0.184041 0.368082 0.750000 Ti\n0.815959 0.631918 0.250000 Ti\n0.140418 0.280835 0.443405 Al\n0.859582 0.719165 0.556595 Al\n0.140418 0.280835 0.056595 Al\n0.859582 0.719165 0.943405 Al\n0.312366 0.624733 0.566517 O\n0.687634 0.375266 0.433482 O\n0.687634 0.375266 0.066517 O\n0.312366 0.624733 0.933482 O\n0.044638 0.089275 0.617004 O\n0.955363 0.910724 0.382996 O\n0.764701 0.529402 0.750000 O\n0.235299 0.470598 0.250000 O\n0.044638 0.089275 0.882996 O\n0.955363 0.910724 0.117004 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Al",
"O"
],
"chemical_system": "Al-O-Ti",
"density": 3.6298621765151617,
"density_atomic": 0.09617727485058405,
"volume": 166.35946511124126,
"volume_molar": 6.261500722863775,
"formula_full": "Ti2 Al4 O10",
"formula_reduced": "TiAl2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.395412679166667,
"spacegroup": 63
},
{
"id": "jvasp-105281",
"created_at": "2022-09-04T14:36:51.543829Z",
"updated_at": "2022-09-04T14:36:51.543852Z",
"structure_string": "Zr2 Co2 H6\n1.0\n5.496145 -0.009972 0.000000\n-4.357847 3.349160 0.000000\n0.000000 -0.000000 4.298943\nZr Co H\n2 2 6\ndirect\n0.634066 0.365934 0.250000 Zr\n0.365934 0.634066 0.749999 Zr\n0.071982 0.928017 0.749999 Co\n0.928017 0.071983 0.250000 Co\n0.573578 0.426422 0.749999 H\n0.186493 0.813507 0.496905 H\n0.186493 0.813507 0.003095 H\n0.813507 0.186494 0.996904 H\n0.813507 0.186494 0.503095 H\n0.426421 0.573579 0.250000 H\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Co",
"H"
],
"chemical_system": "Co-H-Zr",
"density": 6.44398867663966,
"density_atomic": 0.1266691139237486,
"volume": 78.94584315178624,
"volume_molar": 4.754229798769388,
"formula_full": "Zr2 Co2 H6",
"formula_reduced": "ZrCoH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.17738108,
"spacegroup": 63
},
{
"id": "jvasp-104635",
"created_at": "2022-09-04T14:36:51.637964Z",
"updated_at": "2022-09-04T14:36:51.637994Z",
"structure_string": "U2 Mn4 Si2 C2\n1.0\n5.650398 0.006473 0.000000\n-4.406374 3.537076 0.000000\n0.000000 0.000000 6.612596\nU Mn Si C\n2 4 2 2\ndirect\n0.557305 0.442696 0.250000 U\n0.442696 0.557305 0.750000 U\n0.833717 0.166283 0.060657 Mn\n0.166285 0.833718 0.939344 Mn\n0.166285 0.833718 0.560657 Mn\n0.833717 0.166283 0.439343 Mn\n0.275640 0.724362 0.250000 Si\n0.724362 0.275638 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"U",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-U",
"density": 9.736377140195092,
"density_atomic": 0.07555883029609664,
"volume": 132.34720496350243,
"volume_molar": 7.970134974827823,
"formula_full": "U2 Mn4 Si2 C2",
"formula_reduced": "UMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.957075816551725,
"spacegroup": 63
},
{
"id": "jvasp-103643",
"created_at": "2022-09-04T14:36:51.645541Z",
"updated_at": "2022-09-04T14:36:51.645565Z",
"structure_string": "Sm2 Mn4 Si2 C2\n1.0\n5.633934 0.010103 0.000000\n-4.359719 3.568496 0.000000\n0.000000 0.000000 7.001528\nSm Mn Si C\n2 4 2 2\ndirect\n0.546126 0.453874 0.250000 Sm\n0.453874 0.546126 0.750000 Sm\n0.831780 0.168218 0.063267 Mn\n0.168219 0.831782 0.936734 Mn\n0.168219 0.831782 0.563267 Mn\n0.831780 0.168218 0.436734 Mn\n0.266835 0.733166 0.250000 Si\n0.733164 0.266834 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sm",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Sm",
"density": 7.0703496217699655,
"density_atomic": 0.07088588552936777,
"volume": 141.07180753010465,
"volume_molar": 8.495542822139182,
"formula_full": "Sm2 Mn4 Si2 C2",
"formula_reduced": "SmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.987776391551724,
"spacegroup": 63
},
{
"id": "jvasp-8557",
"created_at": "2022-09-04T14:36:51.769433Z",
"updated_at": "2022-09-04T14:36:51.769462Z",
"structure_string": "Tl2 I2\n1.0\n4.326107 0.000000 -1.545322\n0.000000 5.285065 -0.000000\n0.023803 -0.000000 6.894735\nTl I\n2 2\ndirect\n0.608231 0.250000 0.216462 Tl\n0.391769 0.750001 0.783538 Tl\n0.866137 0.250000 0.732272 I\n0.133863 0.750001 0.267728 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"I"
],
"chemical_system": "I-Tl",
"density": 6.970823446055443,
"density_atomic": 0.025343090703143844,
"volume": 157.83394562462718,
"volume_molar": 23.762455931442275,
"formula_full": "Tl2 I2",
"formula_reduced": "TlI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-21243",
"created_at": "2022-09-04T14:36:52.252981Z",
"updated_at": "2022-09-04T14:36:52.253009Z",
"structure_string": "Na4 Ta4 O12\n1.0\n5.526206 -0.025920 -0.000000\n-0.036351 5.526148 0.000000\n-0.000000 0.000000 7.869904\nNa Ta O\n4 4 12\ndirect\n0.503309 0.496692 0.250000 Na\n0.496692 0.503309 0.750000 Na\n0.011631 0.988370 0.250000 Na\n0.988370 0.011631 0.750000 Na\n0.000000 0.500000 0.500000 Ta\n0.500000 -0.000000 0.500000 Ta\n0.500000 -0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.294895 0.294895 0.500000 O\n0.705106 0.705106 0.000000 O\n0.964921 0.451136 0.750000 O\n0.207186 0.792814 0.959119 O\n0.792815 0.207186 0.459120 O\n0.792815 0.207186 0.040880 O\n0.207186 0.792814 0.540880 O\n0.548865 0.035080 0.750000 O\n0.451136 0.964920 0.250000 O\n0.035080 0.548865 0.250000 O\n0.294895 0.294895 0.000000 O\n0.705106 0.705106 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Ta",
"O"
],
"chemical_system": "Na-O-Ta",
"density": 6.9629526474634,
"density_atomic": 0.08321936136235851,
"volume": 240.32868881214858,
"volume_molar": 7.236465963464981,
"formula_full": "Na4 Ta4 O12",
"formula_reduced": "NaTaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2465917399999995,
"spacegroup": 63
}
]
}