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=created_at&page=1165",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1163",
"results": [
{
"id": "jvasp-65256",
"created_at": "2022-09-04T14:36:19.546121Z",
"updated_at": "2022-09-04T14:36:19.546141Z",
"structure_string": "Be2 Fe1 Cl1\n1.0\n2.796641 0.000000 0.000000\n0.000000 2.796641 0.000000\n0.000000 0.000000 7.235604\nBe Fe Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000713 Be\n0.500000 0.500000 0.128234 Be\n0.500000 0.500000 0.791417 Fe\n0.000000 0.000000 0.579635 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Cl"
],
"chemical_system": "Be-Cl-Fe",
"density": 3.207819189247691,
"density_atomic": 0.07068247699786127,
"volume": 56.5911123929773,
"volume_molar": 8.519991114887246,
"formula_full": "Be2 Fe1 Cl1",
"formula_reduced": "Be2FeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.863707941875,
"spacegroup": 99
},
{
"id": "jvasp-88176",
"created_at": "2022-09-04T14:36:19.546620Z",
"updated_at": "2022-09-04T14:36:19.546644Z",
"structure_string": "Sr8 Li4 C4 Br12 N8\n1.0\n8.945669 0.000000 5.164784\n2.981889 8.434059 5.164784\n0.000000 0.000000 10.329570\nSr Li C Br N\n8 4 4 12 8\ndirect\n0.833695 0.222102 0.222101 Sr\n0.166306 0.777898 0.777898 Sr\n0.777898 0.166305 0.777898 Sr\n0.222102 0.222102 0.833694 Sr\n0.777898 0.777898 0.166305 Sr\n0.777898 0.777898 0.777898 Sr\n0.222102 0.833695 0.222101 Sr\n0.222102 0.222102 0.222102 Sr\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000000 -0.000000 C\n0.000000 0.000000 0.000000 C\n-0.000000 -0.000000 0.500000 C\n0.000000 0.500000 -0.000000 C\n0.428794 0.821206 0.821206 Br\n0.571206 0.178794 0.178793 Br\n0.428794 0.821206 0.428793 Br\n0.178794 0.571206 0.571206 Br\n0.821206 0.428794 0.821206 Br\n0.428794 0.428794 0.821206 Br\n0.821206 0.821206 0.428793 Br\n0.571206 0.178794 0.571206 Br\n0.821206 0.428794 0.428793 Br\n0.178794 0.178794 0.571206 Br\n0.571206 0.571206 0.178793 Br\n0.178794 0.571206 0.178793 Br\n0.048618 0.048618 0.354144 N\n0.354144 0.048618 0.048618 N\n0.951382 0.951382 0.645856 N\n0.951382 0.951382 0.951381 N\n0.048619 0.354144 0.048618 N\n0.048618 0.048618 0.048618 N\n0.645857 0.951382 0.951381 N\n0.951382 0.645857 0.951381 N\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Sr",
"Li",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-Li-N-Sr",
"density": 3.9367825426593583,
"density_atomic": 0.04619242881339197,
"volume": 779.3484976820051,
"volume_molar": 13.037073205932135,
"formula_full": "Sr8 Li4 C4 Br12 N8",
"formula_reduced": "Sr2LiCBr3N2",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 1.880663492777778,
"spacegroup": 227
},
{
"id": "jvasp-3582",
"created_at": "2022-09-04T14:36:19.549741Z",
"updated_at": "2022-09-04T14:36:19.549775Z",
"structure_string": "K2 Re1 Br6\n1.0\n6.334751 0.000000 3.657370\n2.111584 5.972460 3.657370\n0.000000 0.000000 7.314740\nK Re Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Re\n0.755572 0.244428 0.244428 Br\n0.755572 0.755572 0.244428 Br\n0.755572 0.244428 0.755572 Br\n0.244428 0.244428 0.755572 Br\n0.244427 0.755572 0.244428 Br\n0.244427 0.755572 0.755572 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Re",
"Br"
],
"chemical_system": "Br-K-Re",
"density": 4.463131614243007,
"density_atomic": 0.03252076978401872,
"volume": 276.74621664161094,
"volume_molar": 18.517829682369285,
"formula_full": "K2 Re1 Br6",
"formula_reduced": "K2ReBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.4875276255555554,
"spacegroup": 225
},
{
"id": "jvasp-62970",
"created_at": "2022-09-04T14:36:19.552051Z",
"updated_at": "2022-09-04T14:36:19.552068Z",
"structure_string": "K2 Li4 As2\n1.0\n4.431002 0.000000 0.000000\n0.000000 6.261971 0.000000\n0.000000 0.000000 6.620534\nK Li As\n2 4 2\ndirect\n0.000000 0.901468 0.000000 K\n0.500000 0.098532 0.500000 K\n0.000000 0.403259 0.803519 Li\n0.000000 0.403259 0.196481 Li\n0.500000 0.596741 0.303519 Li\n0.500000 0.596741 0.696480 Li\n0.000000 0.664339 0.500000 As\n0.500000 0.335661 0.000000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Li",
"As"
],
"chemical_system": "As-K-Li",
"density": 2.3123313690227802,
"density_atomic": 0.04354957977271935,
"volume": 183.6986726795334,
"volume_molar": 13.828240803766457,
"formula_full": "K2 Li4 As2",
"formula_reduced": "KLi2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5258924375,
"spacegroup": 59
},
{
"id": "jvasp-94727",
"created_at": "2022-09-04T14:36:19.552153Z",
"updated_at": "2022-09-04T14:36:19.552176Z",
"structure_string": "Ca1 Mg6 C1\n1.0\n10.003841 2.496855 0.000000\n-2.839580 4.918297 0.000000\n0.000000 0.000000 3.476441\nCa Mg C\n1 6 1\ndirect\n0.076301 0.288150 0.250000 Ca\n0.577785 0.284353 0.250000 Mg\n0.577785 0.793432 0.250000 Mg\n0.334986 0.149304 0.750000 Mg\n0.334986 0.685685 0.750000 Mg\n0.795891 0.147947 0.750000 Mg\n0.906474 0.703238 0.750000 Mg\n0.395793 0.947898 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"C"
],
"chemical_system": "C-Ca-Mg",
"density": 1.679404472200331,
"density_atomic": 0.04087985674141533,
"volume": 195.6954020314658,
"volume_molar": 14.73131571397846,
"formula_full": "Ca1 Mg6 C1",
"formula_reduced": "CaMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1028155899999999,
"spacegroup": 38
},
{
"id": "jvasp-68221",
"created_at": "2022-09-04T14:36:19.553607Z",
"updated_at": "2022-09-04T14:36:19.553632Z",
"structure_string": "Be1 Hg1 Pd2\n1.0\n-1.956300 1.956300 3.986234\n1.956300 -1.956300 3.986234\n1.956300 1.956300 -3.986234\nBe Hg Pd\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Be\n0.750000 0.250000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Pd"
],
"chemical_system": "Be-Hg-Pd",
"density": 11.495362852544844,
"density_atomic": 0.06554903478765142,
"volume": 61.02301907202984,
"volume_molar": 9.187230261298206,
"formula_full": "Be1 Hg1 Pd2",
"formula_reduced": "BeHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0509461375000002,
"spacegroup": 119
},
{
"id": "jvasp-95310",
"created_at": "2022-09-04T14:36:19.556538Z",
"updated_at": "2022-09-04T14:36:19.556572Z",
"structure_string": "Ca4 Nb8 O24\n1.0\n5.274679 0.000000 0.000000\n-0.000000 5.831941 0.000000\n0.000000 0.000000 15.146490\nCa Nb O\n4 8 24\ndirect\n0.750000 0.221783 0.000000 Ca\n0.250000 0.778217 0.000000 Ca\n0.750000 0.721783 0.500000 Ca\n0.250000 0.278217 0.500000 Ca\n0.298711 0.812932 0.335183 Nb\n0.701290 0.187068 0.664817 Nb\n0.201289 0.812932 0.664817 Nb\n0.701290 0.687068 0.835183 Nb\n0.298711 0.312932 0.164817 Nb\n0.798711 0.187068 0.335183 Nb\n0.798711 0.687068 0.164817 Nb\n0.201289 0.312932 0.835183 Nb\n0.093004 0.094925 0.912361 O\n0.007139 0.929595 0.401522 O\n0.507139 0.570405 0.098478 O\n0.492862 0.929595 0.598478 O\n0.992862 0.570405 0.901522 O\n0.593004 0.405075 0.587639 O\n0.876227 0.362871 0.757437 O\n0.406996 0.594925 0.412361 O\n0.376227 0.137129 0.742563 O\n0.623773 0.362871 0.242563 O\n0.123773 0.137129 0.257437 O\n0.123773 0.637129 0.242563 O\n0.623773 0.862870 0.257437 O\n0.376227 0.637129 0.757437 O\n0.406996 0.094925 0.087639 O\n0.876227 0.862870 0.742563 O\n0.492862 0.429595 0.901522 O\n0.507139 0.070405 0.401522 O\n0.007139 0.429595 0.098478 O\n0.593004 0.905075 0.912361 O\n0.093004 0.594925 0.587639 O\n0.906996 0.905075 0.087639 O\n0.992862 0.070405 0.598478 O\n0.906996 0.405075 0.412361 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ca",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O",
"density": 4.588720259364143,
"density_atomic": 0.07726473894682175,
"volume": 465.9305200626818,
"volume_molar": 7.7941643783263155,
"formula_full": "Ca4 Nb8 O24",
"formula_reduced": "CaNb2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.9558478022222223,
"spacegroup": 60
},
{
"id": "jvasp-3864",
"created_at": "2022-09-04T14:36:19.556973Z",
"updated_at": "2022-09-04T14:36:19.556989Z",
"structure_string": "Rb2 Ti1 Cl6\n1.0\n6.056728 0.000000 3.496854\n2.018909 5.710338 3.496854\n-0.000000 -0.000000 6.993707\nRb Ti Cl\n2 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ti\n0.238533 0.761468 0.761467 Cl\n0.238533 0.761468 0.238532 Cl\n0.761468 0.238533 0.761467 Cl\n0.761468 0.238533 0.238532 Cl\n0.761468 0.761468 0.238532 Cl\n0.238533 0.238533 0.761467 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Ti",
"Cl"
],
"chemical_system": "Cl-Rb-Ti",
"density": 2.9623973530364003,
"density_atomic": 0.03720790263056169,
"volume": 241.88409890665577,
"volume_molar": 16.185112124684924,
"formula_full": "Rb2 Ti1 Cl6",
"formula_reduced": "Rb2TiCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1222558598148148,
"spacegroup": 225
},
{
"id": "jvasp-87069",
"created_at": "2022-09-04T14:36:19.562851Z",
"updated_at": "2022-09-04T14:36:19.562861Z",
"structure_string": "Sr2 Sb4 Pd4\n1.0\n4.720009 -0.000000 -0.000000\n0.000000 4.720009 0.000000\n0.000000 -0.000000 10.731142\nSr Sb Pd\n2 4 4\ndirect\n0.250000 0.250000 0.759302 Sr\n0.750000 0.750000 0.240698 Sr\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.250000 0.250000 0.125652 Sb\n0.750000 0.750000 0.874348 Sb\n0.750000 0.250000 0.000000 Pd\n0.250000 0.750000 0.000000 Pd\n0.250000 0.250000 0.371853 Pd\n0.750000 0.750000 0.628147 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Sr",
"density": 7.556669541618387,
"density_atomic": 0.041828125732707964,
"volume": 239.07358565149357,
"volume_molar": 14.397347847912107,
"formula_full": "Sr2 Sb4 Pd4",
"formula_reduced": "Sr(SbPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1221199820000003,
"spacegroup": 129
},
{
"id": "jvasp-48884",
"created_at": "2022-09-04T14:36:19.566957Z",
"updated_at": "2022-09-04T14:36:19.566985Z",
"structure_string": "Li2 Cr2 C4 O12\n1.0\n0.000000 4.800337 0.162094\n7.784967 0.000000 0.000000\n0.000000 -2.489197 -6.011858\nLi Cr C O\n2 2 4 12\ndirect\n0.515561 0.952258 0.359515 Li\n0.484440 0.452258 0.640486 Li\n0.259034 0.994904 0.759107 Cr\n0.740966 0.494904 0.240894 Cr\n0.526907 0.735698 0.892118 C\n0.473094 0.235698 0.107883 C\n0.040986 0.753427 0.399441 C\n0.959014 0.253427 0.600560 C\n0.748725 0.746409 0.346310 O\n0.251276 0.246409 0.653691 O\n0.192963 0.895189 0.456154 O\n0.165732 0.608882 0.385677 O\n0.336674 0.372862 0.127690 O\n0.657657 0.585847 0.936510 O\n0.240669 0.755669 0.853834 O\n0.759332 0.255669 0.146167 O\n0.807038 0.395189 0.543847 O\n0.663326 0.872862 0.872311 O\n0.342344 0.085846 0.063491 O\n0.834268 0.108881 0.614324 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Cr",
"C",
"O"
],
"chemical_system": "C-Cr-Li-O",
"density": 2.682874102715873,
"density_atomic": 0.0902833367149884,
"volume": 221.52482094383757,
"volume_molar": 6.670268267787929,
"formula_full": "Li2 Cr2 C4 O12",
"formula_reduced": "LiCr(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.66838284,
"spacegroup": 4
},
{
"id": "jvasp-94130",
"created_at": "2022-09-04T14:36:19.567736Z",
"updated_at": "2022-09-04T14:36:19.567761Z",
"structure_string": "Mg6 Nb1 Ni1\n1.0\n6.242823 0.248644 0.000000\n-2.906079 5.033478 0.000000\n0.000000 0.000000 4.763562\nMg Nb Ni\n6 1 1\ndirect\n0.640908 0.321823 0.250000 Mg\n0.640908 0.819083 0.250000 Mg\n0.333071 0.164547 0.750000 Mg\n0.333071 0.668526 0.750000 Mg\n0.887517 0.193759 0.750000 Mg\n0.843473 0.671737 0.750000 Mg\n0.139835 0.819918 0.250000 Nb\n0.181213 0.340606 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Ni"
],
"chemical_system": "Mg-Nb-Ni",
"density": 3.225365638896118,
"density_atomic": 0.05224387655227297,
"volume": 153.1279937084214,
"volume_molar": 11.526979155106352,
"formula_full": "Mg6 Nb1 Ni1",
"formula_reduced": "Mg6NbNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2275645124999999,
"spacegroup": 38
},
{
"id": "jvasp-66478",
"created_at": "2022-09-04T14:36:19.568324Z",
"updated_at": "2022-09-04T14:36:19.568362Z",
"structure_string": "Ba4 Re1 Cl1\n1.0\n-0.000000 4.783748 4.783748\n4.783748 0.000000 4.783748\n4.783748 4.783748 0.000000\nBa Re Cl\n4 1 1\ndirect\n0.122130 0.625957 0.625957 Ba\n0.625957 0.625957 0.625957 Ba\n0.625957 0.122130 0.625957 Ba\n0.625957 0.625957 0.122130 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Cl"
],
"chemical_system": "Ba-Cl-Re",
"density": 5.847235334498798,
"density_atomic": 0.02740415237989094,
"volume": 218.9449218069148,
"volume_molar": 21.975285630140576,
"formula_full": "Ba4 Re1 Cl1",
"formula_reduced": "Ba4ReCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.26954599125,
"spacegroup": 216
}
]
}