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=-formula_anonymous&page=400",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=398",
"results": [
{
"id": "jvasp-9486",
"created_at": "2022-09-04T14:38:17.219300Z",
"updated_at": "2022-09-04T14:38:17.219321Z",
"structure_string": "Ti2 Zn2 F8\n1.0\n-5.146193 -0.000058 -0.000790\n-0.000117 -5.146594 -0.014789\n2.569037 2.554125 5.158957\nTi Zn F\n2 2 8\ndirect\n0.002041 0.499647 -0.001730 Ti\n0.502033 -0.000347 -0.001728 Ti\n0.752303 0.749808 0.498243 Zn\n0.251749 0.249410 0.498238 Zn\n0.665526 0.663208 0.753582 F\n0.909831 0.907376 0.243168 F\n0.338659 0.336200 0.243002 F\n0.409832 0.836277 0.243106 F\n0.094195 0.091846 0.753398 F\n0.165450 0.591879 0.753500 F\n0.594216 0.163170 0.753533 F\n0.838742 0.407348 0.243101 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"F"
],
"chemical_system": "F-Ti-Zn",
"density": 4.607269647498569,
"density_atomic": 0.08795588241230955,
"volume": 136.43203468470443,
"volume_molar": 6.846774308704103,
"formula_full": "Ti2 Zn2 F8",
"formula_reduced": "TiZnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.035909374074074,
"spacegroup": 140
},
{
"id": "jvasp-10725",
"created_at": "2022-09-04T14:38:16.803783Z",
"updated_at": "2022-09-04T14:38:16.803814Z",
"structure_string": "Rb2 Nd2 Te8\n1.0\n6.966457 0.000000 0.000000\n0.000000 6.966457 0.000000\n0.000000 -0.000000 9.081304\nRb Nd Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.355830 0.855831 0.289870 Te\n0.144170 0.355830 0.289870 Te\n0.855831 0.644170 0.289870 Te\n0.355830 0.144170 0.710129 Te\n0.644170 0.855831 0.710129 Te\n0.644170 0.144170 0.289870 Te\n0.855831 0.355830 0.710129 Te\n0.144170 0.644170 0.710129 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Nd",
"Te"
],
"chemical_system": "Nd-Rb-Te",
"density": 5.57703169050726,
"density_atomic": 0.027227584238032225,
"volume": 440.72951515243415,
"volume_molar": 22.117793144454257,
"formula_full": "Rb2 Nd2 Te8",
"formula_reduced": "RbNdTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6370187611111113,
"spacegroup": 125
},
{
"id": "jvasp-57703",
"created_at": "2022-09-04T14:38:18.427222Z",
"updated_at": "2022-09-04T14:38:18.427241Z",
"structure_string": "K2 Al2 F8\n1.0\n5.053531 -0.000000 0.000000\n0.000000 5.053531 0.000000\n-0.000000 -0.000000 6.209296\nK Al F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.691170 0.191170 0.000000 F\n0.808830 0.691170 0.000000 F\n0.191170 0.308830 0.000000 F\n0.308830 0.808830 0.000000 F\n0.000000 0.000000 0.288193 F\n0.500000 0.500000 0.711807 F\n0.000000 0.000000 0.711807 F\n0.500000 0.500000 0.288193 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Al",
"F"
],
"chemical_system": "Al-F-K",
"density": 2.9754988887706415,
"density_atomic": 0.07567440490402318,
"volume": 158.574091401438,
"volume_molar": 7.957962494238044,
"formula_full": "K2 Al2 F8",
"formula_reduced": "KAlF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0001999999999999,
"spacegroup": 127
},
{
"id": "jvasp-12903",
"created_at": "2022-09-04T14:38:06.191775Z",
"updated_at": "2022-09-04T14:38:06.191798Z",
"structure_string": "Tl2 Au2 Cl8\n1.0\n5.726685 0.000000 0.000000\n-2.863342 5.899199 -1.246209\n0.000000 0.105165 9.856695\nTl Au Cl\n2 2 8\ndirect\n0.235190 0.000001 0.750000 Tl\n0.764810 0.000000 0.250000 Tl\n0.000000 0.500000 -0.000000 Au\n0.500000 0.500001 0.500000 Au\n0.710079 0.534715 0.851131 Cl\n0.175365 0.465286 0.648868 Cl\n0.289921 0.465286 0.148868 Cl\n0.824635 0.534715 0.351132 Cl\n0.312788 0.111123 0.428929 Cl\n0.201666 0.888878 0.071071 Cl\n0.687212 0.888878 0.571071 Cl\n0.798334 0.111123 0.928929 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Tl",
"density": 5.405090194043836,
"density_atomic": 0.03595636863118204,
"volume": 333.7378177170365,
"volume_molar": 16.74846762689346,
"formula_full": "Tl2 Au2 Cl8",
"formula_reduced": "TlAuCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-20934",
"created_at": "2022-09-04T14:38:18.976129Z",
"updated_at": "2022-09-04T14:38:18.976147Z",
"structure_string": "Sm8 P8 S32\n1.0\n9.704437 0.000000 -4.756515\n-2.331350 9.420239 -4.756515\n0.013149 0.016800 12.304780\nSm P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Sm\n0.875000 0.625000 0.750000 Sm\n0.625000 0.875000 0.250000 Sm\n0.375000 0.625000 0.750000 Sm\n0.625000 0.375000 0.250000 Sm\n0.125000 0.875000 0.250000 Sm\n0.875000 0.125000 0.750000 Sm\n0.375000 0.125000 0.750000 Sm\n0.287541 0.250000 0.500000 P\n0.787541 0.250000 0.500000 P\n0.750000 0.787541 -0.000000 P\n0.250000 0.712459 -0.000000 P\n0.712459 0.750000 0.500000 P\n0.212459 0.750000 0.500000 P\n0.250000 0.212459 -0.000000 P\n0.750000 0.287541 -0.000000 P\n0.907943 0.886068 0.994583 S\n0.165139 0.731226 0.824212 S\n0.092058 0.113932 0.005416 S\n0.391484 0.092058 0.505416 S\n0.113933 0.913359 0.505416 S\n0.108516 0.586641 0.494583 S\n0.407943 0.108516 0.994583 S\n0.907014 0.840926 0.675787 S\n0.386068 0.407942 0.494583 S\n0.913359 0.391484 0.005416 S\n0.586641 0.386068 0.994583 S\n0.768774 0.334861 0.675787 S\n0.840926 0.768774 0.175787 S\n0.334861 0.907014 0.175787 S\n0.608516 0.907943 0.494583 S\n0.886068 0.086641 0.494583 S\n0.413359 0.613933 0.005416 S\n0.592058 0.891484 0.005416 S\n0.891484 0.413359 0.505416 S\n0.613933 0.592058 0.505416 S\n0.340926 0.407014 0.175787 S\n0.086641 0.608516 0.994583 S\n0.268774 0.340926 0.675787 S\n0.665139 0.092986 0.824213 S\n0.159074 0.231226 0.824213 S\n0.231226 0.665139 0.324212 S\n0.092986 0.159074 0.324213 S\n0.659074 0.592987 0.824212 S\n0.731227 0.659074 0.324212 S\n0.592987 0.165139 0.324213 S\n0.407014 0.834861 0.675787 S\n0.834862 0.268774 0.175787 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Sm",
"P",
"S"
],
"chemical_system": "P-S-Sm",
"density": 3.6511257244144373,
"density_atomic": 0.042612473023560124,
"volume": 1126.430751237112,
"volume_molar": 14.132342792380069,
"formula_full": "Sm8 P8 S32",
"formula_reduced": "SmPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.044202395833333,
"spacegroup": 142
},
{
"id": "jvasp-22958",
"created_at": "2022-09-04T14:38:28.863216Z",
"updated_at": "2022-09-04T14:38:28.863243Z",
"structure_string": "K4 Sm4 F16\n1.0\n3.690019 -0.000000 0.000000\n-0.000000 6.194168 0.000000\n0.000000 0.000000 15.468332\nK Sm F\n4 4 16\ndirect\n0.750000 0.224016 0.701854 K\n0.250000 0.775984 0.298146 K\n0.750000 0.724017 0.798146 K\n0.250000 0.275984 0.201854 K\n0.250000 0.248792 0.939837 Sm\n0.750000 0.751208 0.060163 Sm\n0.250000 0.748792 0.560163 Sm\n0.750000 0.251208 0.439837 Sm\n0.750000 0.004605 0.558173 F\n0.250000 0.995395 0.441827 F\n0.250000 0.363745 0.537616 F\n0.750000 0.636255 0.462384 F\n0.250000 0.863745 0.962384 F\n0.750000 0.136255 0.037616 F\n0.250000 0.395399 0.366578 F\n0.750000 0.089988 0.307424 F\n0.250000 0.895399 0.133422 F\n0.750000 0.104601 0.866578 F\n0.250000 0.495395 0.058173 F\n0.250000 0.910013 0.692575 F\n0.750000 0.589988 0.192575 F\n0.250000 0.410012 0.807424 F\n0.750000 0.604601 0.633422 F\n0.750000 0.504605 0.941827 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Sm",
"F"
],
"chemical_system": "F-K-Sm",
"density": 4.987005882302168,
"density_atomic": 0.06788224146761594,
"volume": 353.5534402093881,
"volume_molar": 8.87145242967991,
"formula_full": "K4 Sm4 F16",
"formula_reduced": "KSmF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-9574",
"created_at": "2022-09-04T14:38:17.510191Z",
"updated_at": "2022-09-04T14:38:17.510220Z",
"structure_string": "Ga3 As3 O12\n1.0\n2.496352 -4.323808 -0.000000\n2.496352 4.323808 0.000000\n0.000000 -0.000000 11.569669\nGa As O\n3 3 12\ndirect\n0.446763 -0.000000 0.333333 Ga\n-0.000000 0.446763 0.666667 Ga\n0.553236 0.553236 0.000000 Ga\n0.444159 -0.000000 0.833333 As\n-0.000000 0.444159 0.166667 As\n0.555840 0.555840 0.500000 As\n0.068883 0.676143 0.285655 O\n0.931116 0.607259 0.047679 O\n0.676143 0.068883 0.714345 O\n0.392740 0.323856 0.381012 O\n0.390309 0.302499 0.870033 O\n0.087809 0.697500 0.796635 O\n0.912191 0.609691 0.536700 O\n0.607259 0.931116 0.952321 O\n0.609691 0.912191 0.463300 O\n0.302499 0.390309 0.129967 O\n0.697500 0.087809 0.203366 O\n0.323856 0.392740 0.618988 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ga",
"As",
"O"
],
"chemical_system": "As-Ga-O",
"density": 4.161494755020015,
"density_atomic": 0.07206914189572243,
"volume": 249.76015429799872,
"volume_molar": 8.356060030121485,
"formula_full": "Ga3 As3 O12",
"formula_reduced": "GaAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.874899679166667,
"spacegroup": 152
},
{
"id": "jvasp-64539",
"created_at": "2022-09-04T14:38:17.826174Z",
"updated_at": "2022-09-04T14:38:17.826196Z",
"structure_string": "Ba4 Mg1 Si1\n1.0\n0.000000 5.014834 5.014834\n5.014834 -0.000000 5.014834\n5.014834 5.014834 -0.000000\nBa Mg Si\n4 1 1\ndirect\n0.120884 0.626372 0.626372 Ba\n0.626372 0.626372 0.626372 Ba\n0.626372 0.120884 0.626372 Ba\n0.626372 0.626372 0.120884 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Si"
],
"chemical_system": "Ba-Mg-Si",
"density": 3.9612143677934144,
"density_atomic": 0.023787651634461577,
"volume": 252.23170795505084,
"volume_molar": 25.316247490675465,
"formula_full": "Ba4 Mg1 Si1",
"formula_reduced": "Ba4MgSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3244835883333332,
"spacegroup": 216
},
{
"id": "jvasp-28951",
"created_at": "2022-09-04T14:38:10.952944Z",
"updated_at": "2022-09-04T14:38:10.952968Z",
"structure_string": "Mo2 W2 Se8\n1.0\n3.327482 0.000006 0.000001\n-1.663736 2.881708 -0.000028\n0.000013 -0.000314 35.258607\nMo W Se\n2 2 8\ndirect\n0.333307 0.666616 0.094787 Mo\n0.666692 0.333387 0.656671 Mo\n0.333323 0.666645 0.469498 W\n0.666676 0.333358 0.281960 W\n0.333347 0.666696 0.329676 Se\n0.333361 0.666723 0.704081 Se\n0.666638 0.333280 0.047377 Se\n0.666652 0.333307 0.421782 Se\n0.666646 0.333298 0.142254 Se\n0.666663 0.333330 0.517217 Se\n0.333336 0.666673 0.234241 Se\n0.333353 0.666705 0.609204 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-W",
"density": 5.850824565094291,
"density_atomic": 0.03549359232924337,
"volume": 338.08919335880046,
"volume_molar": 16.96683926534628,
"formula_full": "Mo2 W2 Se8",
"formula_reduced": "MoWSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.511516561111112,
"spacegroup": 164
},
{
"id": "jvasp-64102",
"created_at": "2022-09-04T14:38:16.138874Z",
"updated_at": "2022-09-04T14:38:16.138891Z",
"structure_string": "Ba4 Ta1 Cd1\n1.0\n-0.000000 4.949268 4.949268\n4.949268 -0.000000 4.949268\n4.949268 4.949268 -0.000000\nBa Ta Cd\n4 1 1\ndirect\n0.123959 0.625347 0.625347 Ba\n0.625347 0.625347 0.625347 Ba\n0.625347 0.123959 0.625347 Ba\n0.625347 0.625347 0.123959 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Cd"
],
"chemical_system": "Ba-Cd-Ta",
"density": 5.771013801187052,
"density_atomic": 0.024745620084649304,
"volume": 242.46715093318835,
"volume_molar": 24.336188543263763,
"formula_full": "Ba4 Ta1 Cd1",
"formula_reduced": "Ba4TaCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8767071383333329,
"spacegroup": 216
},
{
"id": "jvasp-64012",
"created_at": "2022-09-04T14:38:17.052289Z",
"updated_at": "2022-09-04T14:38:17.052311Z",
"structure_string": "Ba4 Be1 Pd1\n1.0\n0.000000 4.870440 4.870440\n4.870440 0.000000 4.870440\n4.870440 4.870440 0.000000\nBa Be Pd\n4 1 1\ndirect\n0.123949 0.625351 0.625351 Ba\n0.625351 0.625351 0.625351 Ba\n0.625351 0.123949 0.625351 Ba\n0.625351 0.625351 0.123949 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Pd"
],
"chemical_system": "Ba-Be-Pd",
"density": 4.777123190311249,
"density_atomic": 0.02596669411796418,
"volume": 231.0652242731624,
"volume_molar": 23.191788421899215,
"formula_full": "Ba4 Be1 Pd1",
"formula_reduced": "Ba4BePd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6073059466666666,
"spacegroup": 216
},
{
"id": "jvasp-101280",
"created_at": "2022-09-04T14:38:17.040334Z",
"updated_at": "2022-09-04T14:38:17.040344Z",
"structure_string": "Pb4 Se4 O16\n1.0\n7.020790 0.002585 0.000000\n-1.639631 7.006080 0.000000\n0.000000 0.000000 7.463274\nPb Se O\n4 4 16\ndirect\n0.402604 0.218287 0.148311 Pb\n0.597396 0.781714 0.851689 Pb\n0.902604 0.718287 0.351689 Pb\n0.097396 0.281714 0.648311 Pb\n0.880571 0.196195 0.163859 Se\n0.619430 0.303806 0.663859 Se\n0.119430 0.803806 0.836141 Se\n0.380571 0.696194 0.336141 Se\n0.484223 0.617587 0.156803 O\n0.015777 0.882414 0.656803 O\n0.515777 0.382414 0.843196 O\n0.984223 0.117587 0.343197 O\n0.285290 0.884279 0.293141 O\n0.449720 0.262167 0.503155 O\n0.050280 0.237833 0.003155 O\n0.680667 0.026018 0.109621 O\n0.819333 0.473983 0.609621 O\n0.319333 0.973983 0.890379 O\n0.180667 0.526018 0.390379 O\n0.785290 0.384279 0.206859 O\n0.714710 0.115722 0.706858 O\n0.214710 0.615722 0.793141 O\n0.949720 0.762168 0.996844 O\n0.550280 0.737833 0.496845 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pb",
"Se",
"O"
],
"chemical_system": "O-Pb-Se",
"density": 6.334972935758361,
"density_atomic": 0.06537073376635746,
"volume": 367.1367692732158,
"volume_molar": 9.21228876139562,
"formula_full": "Pb4 Se4 O16",
"formula_reduced": "PbSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.918409697777778,
"spacegroup": 14
}
]
}