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=-nelements&page=471",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=469",
"results": [
{
"id": "jvasp-106404",
"created_at": "2022-09-04T14:36:54.327028Z",
"updated_at": "2022-09-04T14:36:54.327057Z",
"structure_string": "Rb2 Li1 Nb1 F6\n1.0\n5.151796 -0.000000 2.974391\n1.717265 4.857160 2.974391\n-0.000000 -0.000000 5.948782\nRb Li Nb F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.749999 Rb\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Nb\n0.251300 0.251299 0.748700 F\n0.251300 0.748701 0.748700 F\n0.748702 0.748701 0.251298 F\n0.251300 0.748701 0.251299 F\n0.748702 0.251299 0.748700 F\n0.748702 0.251299 0.251299 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Nb",
"F"
],
"chemical_system": "F-Li-Nb-Rb",
"density": 4.292250067239395,
"density_atomic": 0.06717858912469177,
"volume": 148.8569517504865,
"volume_molar": 8.964375165459582,
"formula_full": "Rb2 Li1 Nb1 F6",
"formula_reduced": "Rb2LiNbF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1124921094999999,
"spacegroup": 225
},
{
"id": "jvasp-104015",
"created_at": "2022-09-04T14:36:54.250589Z",
"updated_at": "2022-09-04T14:36:54.250613Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.838345 -0.200944 -0.361401\n-0.396977 4.922657 -0.378883\n0.398266 0.881922 15.875281\nH Pb C O\n20 1 12 4\ndirect\n0.495643 0.562487 0.402388 H\n0.891783 0.306019 0.487460 H\n0.160343 0.307341 0.929779 H\n0.580050 0.286963 0.978262 H\n0.377820 0.420868 0.781001 H\n0.815174 0.391778 0.815746 H\n0.595615 0.585239 0.633460 H\n0.037141 0.574712 0.668492 H\n0.797969 0.794982 0.492739 H\n0.241193 0.795116 0.527707 H\n-0.015361 0.046322 0.354543 H\n0.428161 0.041227 0.389054 H\n0.377331 0.800843 0.891527 H\n0.799209 0.749811 0.929371 H\n0.541034 0.915264 0.754094 H\n0.976986 0.893992 0.790031 H\n0.716580 0.091836 0.619142 H\n0.156626 0.084777 0.654706 H\n0.073417 0.556218 0.355286 H\n0.334045 0.306109 0.521991 H\n0.008817 0.935783 0.161144 Pb\n0.295231 0.566344 0.039167 C\n0.396355 0.431511 0.959194 C\n0.553125 0.642594 0.899115 C\n0.619433 0.535956 0.811368 C\n0.742886 0.775745 0.757126 C\n0.825940 0.705421 0.667239 C\n0.206767 0.159247 0.393279 C\n0.021383 0.916957 0.528489 C\n0.112659 0.185449 0.484859 C\n0.299690 0.440983 0.358235 C\n0.456372 0.459761 0.272931 C\n0.930753 -0.036227 0.619306 C\n0.072650 0.442373 0.084620 O\n0.507939 0.700215 0.244611 O\n0.536795 0.249096 0.236197 O\n0.430496 0.815528 0.056695 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.403712860580186,
"density_atomic": 0.12298785085666059,
"volume": 300.84272342576844,
"volume_molar": 4.8965330461938565,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.670724454594596,
"spacegroup": 1
},
{
"id": "jvasp-100900",
"created_at": "2022-09-04T14:36:42.793812Z",
"updated_at": "2022-09-04T14:36:42.793842Z",
"structure_string": "K2 Y1 Hg1 F6\n1.0\n5.721788 -0.000000 3.303476\n1.907263 5.394553 3.303476\n-0.000000 -0.000000 6.606951\nK Y Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500001 Hg\n0.769185 0.230815 0.230816 F\n0.230816 0.230815 0.769185 F\n0.230816 0.769184 0.769185 F\n0.230816 0.769184 0.230817 F\n0.769185 0.230815 0.769185 F\n0.769185 0.769184 0.230817 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Y",
"Hg",
"F"
],
"chemical_system": "F-Hg-K-Y",
"density": 3.922130013311757,
"density_atomic": 0.049035621853388736,
"volume": 203.93337785944533,
"volume_molar": 12.281155071318473,
"formula_full": "K2 Y1 Hg1 F6",
"formula_reduced": "K2YHgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15688",
"created_at": "2022-09-04T14:36:44.881477Z",
"updated_at": "2022-09-04T14:36:44.881497Z",
"structure_string": "Ho1 Ni2 B2 C1\n1.0\n3.368876 -0.000000 -1.067635\n-0.338346 3.351842 -1.067635\n-0.024952 -0.027597 5.770252\nHo Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250000 0.749999 0.499999 Ni\n0.750001 0.249999 0.499999 Ni\n0.357328 0.357327 0.714654 B\n0.642673 0.642672 0.285344 B\n0.500000 0.500000 -0.000001 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Ho-Ni",
"density": 8.076609430347398,
"density_atomic": 0.09236620967830374,
"volume": 64.95882012369036,
"volume_molar": 6.519852639806399,
"formula_full": "Ho1 Ni2 B2 C1",
"formula_reduced": "HoNi2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.318959255555556,
"spacegroup": 139
},
{
"id": "jvasp-103554",
"created_at": "2022-09-04T14:36:42.146324Z",
"updated_at": "2022-09-04T14:36:42.146338Z",
"structure_string": "K2 Ti1 Ag1 F6\n1.0\n5.318018 -0.000000 3.070359\n1.772673 5.013876 3.070359\n-0.000000 -0.000000 6.140718\nK Ti Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750001 0.750000 K\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ag\n0.227283 0.227283 0.772718 F\n0.227282 0.772718 0.772718 F\n0.772717 0.772718 0.227283 F\n0.227282 0.772718 0.227283 F\n0.772717 0.227283 0.772718 F\n0.772717 0.227283 0.227283 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ti",
"Ag",
"F"
],
"chemical_system": "Ag-F-K-Ti",
"density": 3.5284885824991323,
"density_atomic": 0.06107415321178737,
"volume": 163.7353851689587,
"volume_molar": 9.860375368802856,
"formula_full": "K2 Ti1 Ag1 F6",
"formula_reduced": "K2TiAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101904",
"created_at": "2022-09-04T14:36:42.342338Z",
"updated_at": "2022-09-04T14:36:42.342355Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n5.061003 0.003169 0.001490\n2.527215 3.736602 1.776484\n-0.001419 -0.126348 6.556576\nZn H C O\n1 4 4 4\ndirect\n0.811078 0.859996 0.285677 Zn\n0.050839 0.244188 0.769207 H\n0.935563 0.101611 0.595739 H\n0.435195 0.475709 0.802167 H\n0.177263 0.618130 0.975625 H\n0.337105 0.120829 0.533854 C\n0.144141 0.049470 0.695781 C\n0.333673 0.670415 0.875598 C\n0.597865 0.599190 0.037534 C\n0.247542 0.436408 0.403511 O\n0.594084 0.850198 0.533845 O\n0.823928 0.283649 0.167815 O\n0.584061 0.869892 0.037607 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.4094243471646397,
"density_atomic": 0.10393839419184965,
"volume": 125.07408933030636,
"volume_molar": 5.793952087507069,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.955601876923077,
"spacegroup": 5
},
{
"id": "jvasp-107014",
"created_at": "2022-09-04T14:36:54.248106Z",
"updated_at": "2022-09-04T14:36:54.248130Z",
"structure_string": "Zr1 Nb2 V1 C4\n1.0\n3.135892 -0.001661 9.987587\n1.529714 2.737480 9.987587\n-0.002833 -0.001661 10.468319\nZr Nb V C\n1 2 1 4\ndirect\n0.121855 0.121856 0.121856 Zr\n0.876537 0.876539 0.876540 Nb\n0.628165 0.628166 0.628166 Nb\n0.373125 0.373126 0.373126 V\n0.501138 0.501139 0.501140 C\n0.252143 0.252144 0.252144 C\n0.003237 0.003237 0.003237 C\n0.743794 0.743795 0.743796 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Nb",
"V",
"C"
],
"chemical_system": "C-Nb-V-Zr",
"density": 6.938104775939192,
"density_atomic": 0.08889341162491936,
"volume": 89.99542096275414,
"volume_molar": 6.774563659914502,
"formula_full": "Zr1 Nb2 V1 C4",
"formula_reduced": "ZrNb2VC4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 6.3003996875,
"spacegroup": 160
},
{
"id": "jvasp-51765",
"created_at": "2022-09-04T14:37:03.995261Z",
"updated_at": "2022-09-04T14:37:03.995294Z",
"structure_string": "H8 Pd1 N2 Cl6\n1.0\n4.879412 4.879412 0.000000\n-0.000000 4.879412 4.879412\n4.879412 -0.000000 4.879412\nH Pd N Cl\n8 1 2 6\ndirect\n0.933839 0.688720 0.688720 H\n0.311280 0.311280 0.311280 H\n0.311280 0.066161 0.311280 H\n0.311280 0.311280 0.066161 H\n0.000000 0.000000 0.000000 H\n0.688720 0.688720 0.688720 H\n0.688720 0.933839 0.688720 H\n0.688720 0.688720 0.933839 H\n0.066161 0.311280 0.311280 Pd\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.759335 0.759335 0.240665 Cl\n0.240665 0.759335 0.759335 Cl\n0.240665 0.240665 0.759335 Cl\n0.240665 0.759335 0.240665 Cl\n0.759335 0.240665 0.240665 Cl\n0.759335 0.240665 0.759335 Cl\n",
"nsites": 17,
"nelements": 4,
"elements": [
"H",
"Pd",
"N",
"Cl"
],
"chemical_system": "Cl-H-N-Pd",
"density": 2.5386792369594304,
"density_atomic": 0.07316720343577364,
"volume": 232.34453691977777,
"volume_molar": 8.230655918517167,
"formula_full": "H8 Pd1 N2 Cl6",
"formula_reduced": "H8Pd(NCl3)2",
"formula_anonymous": "AB2C6D8",
"energy_above_hull": 2.4095450944117647,
"spacegroup": 160
},
{
"id": "jvasp-48619",
"created_at": "2022-09-04T14:37:02.178123Z",
"updated_at": "2022-09-04T14:37:02.178141Z",
"structure_string": "Li3 Mn3 O1 F7\n1.0\n-0.121244 4.300225 4.300225\n4.300225 -0.121244 4.300225\n4.300225 4.300225 -0.121244\nLi Mn O F\n3 3 1 7\ndirect\n0.999230 0.999230 0.999230 Li\n0.257942 0.257942 0.257942 Li\n0.622501 0.622501 0.622501 Li\n0.613909 0.133007 0.613909 Mn\n0.613909 0.613909 0.133007 Mn\n0.133007 0.613909 0.613909 Mn\n0.386402 0.386402 0.386402 O\n0.865260 0.385726 0.385726 F\n0.385726 0.865260 0.385726 F\n0.385726 0.385726 0.865260 F\n0.866025 0.866025 0.388065 F\n0.866025 0.388065 0.866025 F\n0.866263 0.866263 0.866263 F\n0.388065 0.866025 0.866025 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.352120254745011,
"density_atomic": 0.08445778363985024,
"volume": 165.76328902614364,
"volume_molar": 7.130356138257145,
"formula_full": "Li3 Mn3 O1 F7",
"formula_reduced": "Li3Mn3OF7",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 1.248245514402709,
"spacegroup": 160
},
{
"id": "jvasp-103457",
"created_at": "2022-09-04T14:36:42.836797Z",
"updated_at": "2022-09-04T14:36:42.836817Z",
"structure_string": "Mn2 In1 Sb1 Pd4\n1.0\n4.356451 0.001097 6.558173\n1.980545 3.880220 6.558173\n0.001792 0.001097 7.873265\nMn In Sb Pd\n2 1 1 4\ndirect\n0.252464 0.252465 0.252465 Mn\n0.747533 0.747536 0.747535 Mn\n0.000000 0.000000 0.000000 In\n0.499999 0.500001 0.500000 Sb\n0.624512 0.624514 0.624513 Pd\n0.125485 0.125486 0.125485 Pd\n0.874512 0.874516 0.874514 Pd\n0.375486 0.375487 0.375486 Pd\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mn",
"In",
"Sb",
"Pd"
],
"chemical_system": "In-Mn-Pd-Sb",
"density": 9.639582175557129,
"density_atomic": 0.060145947705899865,
"volume": 133.00979209968057,
"volume_molar": 10.012546131032654,
"formula_full": "Mn2 In1 Sb1 Pd4",
"formula_reduced": "Mn2InSbPd4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.332469169094828,
"spacegroup": 166
},
{
"id": "jvasp-28841",
"created_at": "2022-09-04T14:37:03.985272Z",
"updated_at": "2022-09-04T14:37:03.985299Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.384215 0.000001 0.000001\n-1.692107 2.930825 -0.000012\n0.000008 -0.000141 38.371631\nTe Mo W Se\n2 2 2 6\ndirect\n0.333360 0.666719 0.706725 Te\n0.333354 0.666707 0.608271 Te\n0.333310 0.666619 0.469643 Mo\n0.666689 0.333376 0.281797 Mo\n0.333312 0.666622 0.093921 W\n0.666690 0.333378 0.657560 W\n0.333354 0.666708 0.324888 Se\n0.666642 0.333283 0.050740 Se\n0.666641 0.333279 0.426568 Se\n0.666648 0.333294 0.137198 Se\n0.666648 0.333292 0.512732 Se\n0.333356 0.666711 0.238706 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.621886771280721,
"density_atomic": 0.03152993526073412,
"volume": 380.5906958186568,
"volume_molar": 19.09975618471912,
"formula_full": "Te2 Mo2 W2 Se6",
"formula_reduced": "TeMoWSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.4495822944444448,
"spacegroup": 156
},
{
"id": "jvasp-2493",
"created_at": "2022-09-04T14:36:54.276056Z",
"updated_at": "2022-09-04T14:36:54.276080Z",
"structure_string": "Zn1 Cu2 Ge1 S4\n1.0\n4.859631 0.000000 -2.201872\n-0.997655 4.756122 -2.201872\n0.044568 0.054886 6.562012\nZn Cu Ge S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.249999 0.750000 0.500000 Cu\n0.499999 0.500000 -0.000000 Ge\n0.870635 0.870636 0.254837 S\n0.615800 0.129365 0.745164 S\n0.384199 0.384200 0.254837 S\n0.129364 0.615801 0.745163 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Ge",
"S"
],
"chemical_system": "Cu-Ge-S-Zn",
"density": 4.274061854106115,
"density_atomic": 0.05234150825497334,
"volume": 152.8423667317585,
"volume_molar": 11.505478081877387,
"formula_full": "Zn1 Cu2 Ge1 S4",
"formula_reduced": "ZnCu2GeS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.8033259062499999,
"spacegroup": 121
}
]
}