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=872",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=870",
"results": [
{
"id": "jvasp-42314",
"created_at": "2022-09-04T14:36:10.608641Z",
"updated_at": "2022-09-04T14:36:10.608670Z",
"structure_string": "Li4 Mn4 F16\n1.0\n4.576349 -0.000000 0.000000\n-0.000000 5.764033 0.000000\n0.000000 0.000000 9.933625\nLi Mn F\n4 4 16\ndirect\n0.000000 0.824597 0.250000 Li\n0.000000 0.175403 0.750000 Li\n0.500000 0.324597 0.250000 Li\n0.500000 0.675402 0.750000 Li\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.781393 0.528933 0.155333 F\n0.781393 0.471066 0.655333 F\n0.718608 0.971066 0.655333 F\n0.718608 0.028933 0.155333 F\n0.744898 0.714722 0.915831 F\n0.744898 0.285277 0.415831 F\n0.255102 0.714722 0.584169 F\n0.218608 0.471066 0.844666 F\n0.281393 0.971066 0.844666 F\n0.281393 0.028933 0.344666 F\n0.755102 0.785277 0.415831 F\n0.218608 0.528933 0.344666 F\n0.244898 0.785277 0.084169 F\n0.244898 0.214723 0.584169 F\n0.255102 0.285277 0.084169 F\n0.755102 0.214723 0.915831 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.494892966523749,
"density_atomic": 0.09159207225849222,
"volume": 262.03141176091003,
"volume_molar": 6.574958521523832,
"formula_full": "Li4 Mn4 F16",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3436797285632184,
"spacegroup": 60
},
{
"id": "jvasp-78883",
"created_at": "2022-09-04T14:36:43.878936Z",
"updated_at": "2022-09-04T14:36:43.878952Z",
"structure_string": "Li1 Mg1 Sb1\n1.0\n4.056828 -0.000000 2.342211\n1.352276 3.824814 2.342211\n-0.000000 -0.000000 4.684421\nLi Mg Sb\n1 1 1\ndirect\n0.500001 0.499999 0.499999 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sb"
],
"chemical_system": "Li-Mg-Sb",
"density": 3.495463121465234,
"density_atomic": 0.0412732264345067,
"volume": 72.68634558435767,
"volume_molar": 14.590913481300213,
"formula_full": "Li1 Mg1 Sb1",
"formula_reduced": "LiMgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4699533611111114,
"spacegroup": 216
},
{
"id": "jvasp-70508",
"created_at": "2022-09-04T14:36:19.083263Z",
"updated_at": "2022-09-04T14:36:19.083290Z",
"structure_string": "Be1 P1 Br1\n1.0\n1.589843 -2.753689 -0.000000\n1.589843 2.753689 0.000000\n0.000000 -0.000000 6.504640\nBe P Br\n1 1 1\ndirect\n-0.000000 0.000000 0.018502 Be\n0.333332 0.666666 0.754196 P\n0.666666 0.333332 0.227303 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"P",
"Br"
],
"chemical_system": "Be-Br-P",
"density": 3.495501275082002,
"density_atomic": 0.05267431114800887,
"volume": 56.95375857066908,
"volume_molar": 11.432785030787521,
"formula_full": "Be1 P1 Br1",
"formula_reduced": "BePBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.433955235,
"spacegroup": 156
},
{
"id": "jvasp-43374",
"created_at": "2022-09-04T14:37:35.361625Z",
"updated_at": "2022-09-04T14:37:35.361652Z",
"structure_string": "Li2 Fe2 F8\n1.0\n3.340966 3.213679 -0.000000\n-3.340966 3.213679 -0.000000\n0.000000 0.000000 6.140265\nLi Fe F\n2 2 8\ndirect\n0.500070 0.500070 0.250000 Li\n0.499931 0.499931 0.750001 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.194038 0.805930 0.250000 F\n0.194071 0.805962 0.750001 F\n0.293918 0.293918 0.000015 F\n0.293918 0.293918 0.499985 F\n0.706082 0.706082 0.500016 F\n0.706082 0.706082 0.999986 F\n0.805930 0.194038 0.250000 F\n0.805962 0.194071 0.750001 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.4955305602040787,
"density_atomic": 0.09101009858865342,
"volume": 131.8534996235691,
"volume_molar": 6.6170027869311685,
"formula_full": "Li2 Fe2 F8",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2300511049999999,
"spacegroup": 65
},
{
"id": "jvasp-115279",
"created_at": "2022-09-04T14:38:44.580710Z",
"updated_at": "2022-09-04T14:38:44.580743Z",
"structure_string": "B1 As1 O4\n1.0\n-2.290744 2.683615 2.892568\n2.290744 -2.683615 2.892568\n2.290744 2.683615 -2.892568\nB As O\n1 1 4\ndirect\n-0.000000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 As\n0.707045 0.573113 0.558478 O\n0.292955 0.851433 0.866067 O\n0.985366 0.426888 0.133932 O\n0.014634 0.148566 0.441521 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"As",
"O"
],
"chemical_system": "As-B-O",
"density": 3.495571300719888,
"density_atomic": 0.08435501622315139,
"volume": 71.1279573952982,
"volume_molar": 7.139042856762812,
"formula_full": "B1 As1 O4",
"formula_reduced": "BAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7906697222222228,
"spacegroup": 23
},
{
"id": "jvasp-45918",
"created_at": "2022-09-04T14:38:07.063985Z",
"updated_at": "2022-09-04T14:38:07.064008Z",
"structure_string": "Li1 Fe1 C2 O6\n1.0\n2.275640 1.012981 -3.809131\n-0.000000 4.002845 3.783509\n2.275639 -1.012981 3.809131\nLi Fe C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500001 0.500000 Fe\n0.242569 0.727704 0.757432 C\n0.757432 0.272297 0.242568 C\n0.048968 0.269229 0.260599 O\n0.519140 0.730772 0.048968 O\n0.260600 0.730772 0.480860 O\n0.739401 0.269229 0.519140 O\n0.480860 0.269229 0.951032 O\n0.951032 0.730772 0.739401 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O",
"density": 3.4956090740337866,
"density_atomic": 0.11515652241933437,
"volume": 86.83832917067176,
"volume_molar": 5.229526416289993,
"formula_full": "Li1 Fe1 C2 O6",
"formula_reduced": "LiFe(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.518653649999999,
"spacegroup": 148
},
{
"id": "jvasp-116791",
"created_at": "2022-09-04T14:38:45.330398Z",
"updated_at": "2022-09-04T14:38:45.330422Z",
"structure_string": "Li2 Co2 P4 O14\n1.0\n6.119144 0.023011 0.443103\n0.679033 5.630615 2.433019\n0.050953 0.005644 6.621808\nLi Co P O\n2 2 4 14\ndirect\n0.016040 0.712858 0.822384 Li\n0.983958 0.287142 0.177616 Li\n0.637481 0.087084 0.788994 Co\n0.362517 0.912916 0.211007 Co\n0.595733 0.651661 0.654662 P\n0.874212 0.782268 0.235775 P\n0.125786 0.217732 0.764225 P\n0.404266 0.348339 0.345338 P\n0.613155 0.213430 0.474915 O\n0.042393 0.937973 0.252395 O\n0.787994 0.638988 0.477672 O\n0.212004 0.361012 0.522328 O\n0.037947 0.391260 0.862927 O\n0.962052 0.608740 0.137073 O\n0.319127 0.225521 0.211862 O\n0.680872 0.774479 0.788138 O\n0.386844 0.786570 0.525086 O\n0.333529 0.040281 0.883635 O\n0.423134 0.606041 0.195431 O\n0.576865 0.393959 0.804569 O\n0.957606 0.062027 0.747605 O\n0.666469 0.959719 0.116365 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.4956467389904584,
"density_atomic": 0.09655843528421054,
"volume": 227.841305995122,
"volume_molar": 6.23678370747662,
"formula_full": "Li2 Co2 P4 O14",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.7645878545454545,
"spacegroup": 2
},
{
"id": "jvasp-113550",
"created_at": "2022-09-04T14:38:46.396801Z",
"updated_at": "2022-09-04T14:38:46.396843Z",
"structure_string": "Ca1 Ge1 O1\n1.0\n4.602508 -0.000000 -0.000000\n-2.301254 3.985889 0.000000\n-0.000000 0.000000 3.333009\nCa Ge O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666666 0.000000 Ge\n0.666666 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O",
"density": 3.4956675061317526,
"density_atomic": 0.04906423322571422,
"volume": 61.144336775810885,
"volume_molar": 12.273993424692591,
"formula_full": "Ca1 Ge1 O1",
"formula_reduced": "CaGeO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7503399566666666,
"spacegroup": 187
},
{
"id": "jvasp-3531",
"created_at": "2022-09-04T14:36:39.291517Z",
"updated_at": "2022-09-04T14:36:39.291536Z",
"structure_string": "Na4 I2 O1\n1.0\n4.476159 -0.000000 -1.254773\n-0.351743 4.462317 -1.254773\n-0.001914 -0.002071 8.604468\nNa I O\n4 2 1\ndirect\n0.143509 0.143509 0.287017 Na\n0.000000 0.500000 0.000000 Na\n0.856493 0.856492 0.712984 Na\n0.500000 0.000000 0.000000 Na\n0.347024 0.347024 0.694047 I\n0.652977 0.652977 0.305955 I\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"I",
"O"
],
"chemical_system": "I-Na-O",
"density": 3.495806508058942,
"density_atomic": 0.04073492114156585,
"volume": 171.84272864240828,
"volume_molar": 14.783730006672377,
"formula_full": "Na4 I2 O1",
"formula_reduced": "Na4I2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-8384",
"created_at": "2022-09-04T14:36:50.447112Z",
"updated_at": "2022-09-04T14:36:50.447142Z",
"structure_string": "Y1 Ni1 F5\n1.0\n3.909741 -0.000000 1.437771\n1.640138 5.218024 1.574740\n0.126628 -0.024017 5.690432\nY Ni F\n1 1 5\ndirect\n0.500001 0.499999 0.500000 Y\n0.000000 0.000000 0.000000 Ni\n0.500001 0.819386 0.180613 F\n0.500001 0.180612 0.819387 F\n0.770793 0.229207 0.229207 F\n0.229208 0.770792 0.770793 F\n0.000001 0.499999 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Ni",
"F"
],
"chemical_system": "F-Ni-Y",
"density": 3.495823877976249,
"density_atomic": 0.060746788925336234,
"volume": 115.23242831162133,
"volume_molar": 9.91351290584561,
"formula_full": "Y1 Ni1 F5",
"formula_reduced": "YNiF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0988556089285713,
"spacegroup": 71
},
{
"id": "jvasp-25274",
"created_at": "2022-09-04T14:37:50.689785Z",
"updated_at": "2022-09-04T14:37:50.689813Z",
"structure_string": "C8\n1.0\n2.518487 0.000000 -0.000000\n-1.259244 2.181074 0.000000\n-0.000000 -0.000000 8.308783\nC\n8\ndirect\n0.000000 0.000000 0.592938 C\n0.333334 0.666666 0.344480 C\n0.000000 0.000000 0.407061 C\n0.666668 0.333332 0.655520 C\n0.000000 0.000000 0.907061 C\n0.333334 0.666666 0.155520 C\n0.000000 0.000000 0.092939 C\n0.666668 0.333332 0.844480 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4959070184967795,
"density_atomic": 0.1752840730060275,
"volume": 45.64019915103698,
"volume_molar": 3.435646295024715,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.1131700000000002,
"spacegroup": 194
},
{
"id": "jvasp-47990",
"created_at": "2022-09-04T14:35:57.224401Z",
"updated_at": "2022-09-04T14:35:57.224426Z",
"structure_string": "Li8 Mn4 F16\n1.0\n2.941253 0.000000 0.000000\n-0.000000 9.234757 0.000000\n0.000000 0.000000 10.129333\nLi Mn F\n8 4 16\ndirect\n0.749999 0.079773 0.391880 Li\n0.749999 0.059665 0.880630 Li\n0.250000 0.440335 0.380630 Li\n0.250000 0.420227 0.891880 Li\n0.749999 0.579773 0.108119 Li\n0.749999 0.559665 0.619370 Li\n0.250000 0.940336 0.119370 Li\n0.250000 0.920228 0.608119 Li\n0.250000 0.747846 0.345112 Mn\n0.749999 0.752154 0.845112 Mn\n0.250000 0.247846 0.154888 Mn\n0.749999 0.252154 0.654888 Mn\n0.749999 0.876726 0.456475 F\n0.749999 0.803039 0.188819 F\n0.250000 0.696962 0.688818 F\n0.250000 0.623274 0.956475 F\n0.749999 0.600486 0.435260 F\n0.250000 0.553407 0.222290 F\n0.749999 0.446593 0.777710 F\n0.749999 0.100486 0.064740 F\n0.749999 0.376726 0.043525 F\n0.749999 0.303038 0.311181 F\n0.250000 0.196962 0.811181 F\n0.250000 0.123274 0.543525 F\n0.250000 0.899515 0.935259 F\n0.250000 0.053407 0.277710 F\n0.250000 0.399515 0.564740 F\n0.749999 0.946594 0.722290 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4960682976756225,
"density_atomic": 0.1017698952268047,
"volume": 275.1304787884385,
"volume_molar": 5.917408823679182,
"formula_full": "Li8 Mn4 F16",
"formula_reduced": "Li2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4230440530541869,
"spacegroup": 62
}
]
}