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_atomic&page=1570",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=1568",
"results": [
{
"id": "jvasp-9715",
"created_at": "2022-09-04T14:37:09.794271Z",
"updated_at": "2022-09-04T14:37:09.794296Z",
"structure_string": "Ca2 Tl4 O8\n1.0\n3.367656 0.000000 0.000000\n-1.683828 5.599433 -0.000000\n0.000000 0.000000 10.566009\nCa Tl O\n2 4 8\ndirect\n0.891038 0.782075 0.250000 Ca\n0.108963 0.217924 0.750000 Ca\n0.365472 0.730945 0.572199 Tl\n0.634528 0.269054 0.427801 Tl\n0.634528 0.269054 0.072199 Tl\n0.365472 0.730945 0.927801 Tl\n0.536322 0.072641 0.250000 O\n0.463679 0.927358 0.750000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.281437 0.562874 0.118337 O\n0.718564 0.437125 0.881663 O\n0.281437 0.562874 0.381663 O\n0.718564 0.437125 0.618337 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"O"
],
"chemical_system": "Ca-O-Tl",
"density": 8.5483067132238,
"density_atomic": 0.07026600855610893,
"volume": 199.24285280585843,
"volume_molar": 8.570489321577432,
"formula_full": "Ca2 Tl4 O8",
"formula_reduced": "CaTl2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.07668566,
"spacegroup": 63
},
{
"id": "jvasp-72562",
"created_at": "2022-09-04T14:35:41.468554Z",
"updated_at": "2022-09-04T14:35:41.468581Z",
"structure_string": "Be2 Nb1 Se1\n1.0\n3.381284 -0.000000 -0.000000\n-0.000000 3.381284 -0.000000\n-0.000000 0.000000 4.979133\nBe Nb Se\n2 1 1\ndirect\n0.000000 0.000000 0.787997 Be\n0.000000 0.000000 0.212002 Be\n0.499999 0.499999 0.000000 Nb\n0.499999 0.499999 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Se"
],
"chemical_system": "Be-Nb-Se",
"density": 5.539057424107343,
"density_atomic": 0.0702656333733147,
"volume": 56.92683333185621,
"volume_molar": 8.570535083637447,
"formula_full": "Be2 Nb1 Se1",
"formula_reduced": "Be2NbSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6614487416666663,
"spacegroup": 123
},
{
"id": "jvasp-40577",
"created_at": "2022-09-04T14:37:53.801950Z",
"updated_at": "2022-09-04T14:37:53.801968Z",
"structure_string": "Re2 Rh6\n1.0\n2.743831 -4.752456 -0.000000\n2.743831 4.752456 0.000000\n0.000000 -0.000000 4.366122\nRe Rh\n2 6\ndirect\n0.666667 0.333333 0.250000 Re\n0.333333 0.666667 0.750000 Re\n0.831349 0.168651 0.750000 Rh\n0.337304 0.168651 0.750000 Rh\n0.831348 0.662696 0.750000 Rh\n0.168651 0.831349 0.250000 Rh\n0.662696 0.831348 0.250000 Rh\n0.168651 0.337304 0.250000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"Rh"
],
"chemical_system": "Re-Rh",
"density": 14.434968583566993,
"density_atomic": 0.0702568479423258,
"volume": 113.86790376031729,
"volume_molar": 8.57160680613455,
"formula_full": "Re2 Rh6",
"formula_reduced": "ReRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.87709175,
"spacegroup": 194
},
{
"id": "jvasp-22062",
"created_at": "2022-09-04T14:37:35.046011Z",
"updated_at": "2022-09-04T14:37:35.046039Z",
"structure_string": "Rb4 Li2 Ga2 F12\n1.0\n5.619534 0.000987 8.419828\n2.552435 5.006419 8.419828\n0.001609 0.000987 10.122878\nRb Li Ga F\n4 2 2 12\ndirect\n0.127590 0.127590 0.127590 Rb\n0.283247 0.283248 0.283247 Rb\n0.716752 0.716754 0.716752 Rb\n0.872410 0.872411 0.872410 Rb\n0.403467 0.403467 0.403467 Li\n0.596533 0.596534 0.596533 Li\n0.500000 0.500001 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.195720 0.723506 0.195719 F\n0.804280 0.804281 0.276494 F\n0.804280 0.276495 0.804280 F\n0.608620 0.159772 0.608621 F\n0.276494 0.804281 0.804280 F\n0.159771 0.608622 0.608621 F\n0.840228 0.391380 0.391379 F\n0.391379 0.840229 0.391379 F\n0.391379 0.391380 0.840229 F\n0.723505 0.195720 0.195720 F\n0.195719 0.195720 0.723506 F\n0.608621 0.608622 0.159771 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ga",
"F"
],
"chemical_system": "F-Ga-Li-Rb",
"density": 4.218375452693328,
"density_atomic": 0.07025539814298862,
"volume": 284.6756338821769,
"volume_molar": 8.571783690903473,
"formula_full": "Rb4 Li2 Ga2 F12",
"formula_reduced": "Rb2LiGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.001656,
"spacegroup": 166
},
{
"id": "jvasp-16775",
"created_at": "2022-09-04T14:37:58.785698Z",
"updated_at": "2022-09-04T14:37:58.785718Z",
"structure_string": "Hf2 Be2 Si2\n1.0\n1.856562 -3.215659 0.000000\n1.856562 3.215659 0.000000\n0.000000 0.000000 7.153182\nHf Be Si\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.333332 0.666666 0.750000 Be\n0.666666 0.333332 0.250000 Be\n0.333332 0.666666 0.250000 Si\n0.666666 0.333332 0.750000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Si"
],
"chemical_system": "Be-Hf-Si",
"density": 8.38290066582993,
"density_atomic": 0.07024938623929089,
"volume": 85.40999887973634,
"volume_molar": 8.572517259420243,
"formula_full": "Hf2 Be2 Si2",
"formula_reduced": "HfBeSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8882192333333334,
"spacegroup": 194
},
{
"id": "jvasp-39471",
"created_at": "2022-09-04T14:37:53.736929Z",
"updated_at": "2022-09-04T14:37:53.736946Z",
"structure_string": "Ir1 Ru1\n1.0\n1.372469 -2.377187 -0.000000\n1.372469 2.377187 0.000000\n0.000000 0.000000 4.363124\nIr Ru\n1 1\ndirect\n0.333333 0.666667 0.000000 Ir\n0.666667 0.333333 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru",
"density": 17.106000044141908,
"density_atomic": 0.07024841888115632,
"volume": 28.470391673633625,
"volume_molar": 8.572635307547683,
"formula_full": "Ir1 Ru1",
"formula_reduced": "IrRu",
"formula_anonymous": "AB",
"energy_above_hull": 3.0221408,
"spacegroup": 187
},
{
"id": "jvasp-57059",
"created_at": "2022-09-04T14:37:42.489015Z",
"updated_at": "2022-09-04T14:37:42.489042Z",
"structure_string": "Nd6 Si4 Cl2 O16\n1.0\n6.440728 -0.000000 -0.000000\n-3.220364 7.010874 -1.042852\n-0.000000 0.005594 8.826300\nNd Si Cl O\n6 4 2 16\ndirect\n0.790960 0.370357 0.171152 Nd\n0.420603 0.629642 0.328848 Nd\n0.579398 0.370357 0.671152 Nd\n0.923382 -0.000000 0.750000 Nd\n0.209040 0.629642 0.828848 Nd\n0.076618 -0.000000 0.250000 Nd\n0.896063 0.683863 0.475113 Si\n0.787800 0.683863 0.975113 Si\n0.212200 0.316136 0.024887 Si\n0.103937 0.316136 0.524887 Si\n0.474354 -0.000000 0.750000 Cl\n0.525646 -0.000000 0.250000 Cl\n0.266423 0.308545 0.843745 O\n0.679539 0.474538 0.418607 O\n0.904713 0.287566 0.645441 O\n0.795000 0.474538 0.918607 O\n0.794438 0.846357 0.468561 O\n0.617147 0.712433 0.854559 O\n0.382853 0.287566 0.145441 O\n0.095287 0.712433 0.354559 O\n0.205000 0.525461 0.081393 O\n0.948081 0.153643 0.031439 O\n0.320461 0.525461 0.581393 O\n0.042121 0.308545 0.343745 O\n0.733577 0.691454 0.156255 O\n0.957879 0.691454 0.656255 O\n0.051919 0.846356 0.968561 O\n0.205563 0.153642 0.531439 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Nd",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-Nd-O-Si",
"density": 5.435378821259443,
"density_atomic": 0.07024756662515876,
"volume": 398.5903191409902,
"volume_molar": 8.572739312287018,
"formula_full": "Nd6 Si4 Cl2 O16",
"formula_reduced": "Nd3Si2ClO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.4588224119642854,
"spacegroup": 15
},
{
"id": "jvasp-46706",
"created_at": "2022-09-04T14:38:33.502060Z",
"updated_at": "2022-09-04T14:38:33.502087Z",
"structure_string": "Mn2 P2 O8\n1.0\n5.106155 0.180388 0.396534\n2.941714 7.071531 4.489061\n2.663849 -1.220823 4.204296\nMn P O\n2 2 8\ndirect\n0.198797 0.258764 0.286930 Mn\n0.786929 0.758764 0.698797 Mn\n0.161992 0.626223 0.089668 P\n0.589668 0.126223 0.661992 P\n0.038692 0.776706 0.243237 O\n0.203222 0.457358 0.334339 O\n0.274985 0.146694 0.994914 O\n0.509404 0.117299 0.420177 O\n0.494913 0.646693 0.774985 O\n0.743236 0.276706 0.538692 O\n0.920177 0.617299 0.009404 O\n0.834338 0.957359 0.703221 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.9144333499739927,
"density_atomic": 0.07024693737297094,
"volume": 170.82595268583574,
"volume_molar": 8.572816104460024,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.791919456896552,
"spacegroup": 9
},
{
"id": "jvasp-18764",
"created_at": "2022-09-04T14:36:56.327840Z",
"updated_at": "2022-09-04T14:36:56.327862Z",
"structure_string": "Li1 Al2 Pd1\n1.0\n3.739801 -0.000000 2.159175\n1.246601 3.525918 2.159175\n-0.000000 -0.000000 4.318350\nLi Al Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250001 Al\n0.750000 0.750000 0.750002 Al\n0.500000 0.500000 0.500001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Pd"
],
"chemical_system": "Al-Li-Pd",
"density": 4.879428919504681,
"density_atomic": 0.07024597603297368,
"volume": 56.942763498970926,
"volume_molar": 8.572933426354826,
"formula_full": "Li1 Al2 Pd1",
"formula_reduced": "LiAl2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.270760325,
"spacegroup": 225
},
{
"id": "jvasp-15885",
"created_at": "2022-09-04T14:37:45.632592Z",
"updated_at": "2022-09-04T14:37:45.632608Z",
"structure_string": "Th1 B2 Ir3\n1.0\n2.753101 -4.768511 -0.000000\n2.753101 4.768511 0.000000\n-0.000000 -0.000000 3.253098\nTh B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 -0.000000 0.500000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"B",
"Ir"
],
"chemical_system": "B-Ir-Th",
"density": 16.142018662093268,
"density_atomic": 0.07024560788141211,
"volume": 85.41459289709809,
"volume_molar": 8.572978356407015,
"formula_full": "Th1 B2 Ir3",
"formula_reduced": "ThB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.731550677777778,
"spacegroup": 191
},
{
"id": "jvasp-104909",
"created_at": "2022-09-04T14:36:50.522416Z",
"updated_at": "2022-09-04T14:36:50.522441Z",
"structure_string": "Ti1 O1 F2\n1.0\n3.927732 -0.000000 0.000000\n0.000000 3.927732 0.000000\n-0.000000 -0.000000 3.691128\nTi O F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 F\n-0.000000 0.500000 -0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 2.9704595322701723,
"density_atomic": 0.07024528704172671,
"volume": 56.94332201424335,
"volume_molar": 8.573017512794506,
"formula_full": "Ti1 O1 F2",
"formula_reduced": "TiOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6513755995833332,
"spacegroup": 123
},
{
"id": "jvasp-51075",
"created_at": "2022-09-04T14:38:33.607638Z",
"updated_at": "2022-09-04T14:38:33.607662Z",
"structure_string": "Ca4 Fe2 Cl2 O6\n1.0\n3.796300 -0.000000 0.000000\n-0.000000 3.796300 0.000000\n-0.000000 0.000000 13.829199\nCa Fe Cl O\n4 2 2 6\ndirect\n0.000000 0.000000 0.661204 Ca\n0.000000 0.000000 0.906736 Ca\n0.500000 0.500000 0.093273 Ca\n0.500000 0.500000 0.338795 Ca\n0.000000 0.000000 0.208485 Fe\n0.500000 0.500000 0.791520 Fe\n0.000000 0.000000 0.422946 Cl\n0.500000 0.500000 0.577031 Cl\n0.500000 0.000000 0.229663 O\n0.500000 0.500000 0.931219 O\n0.000000 0.000000 0.068784 O\n0.500000 0.000000 0.770333 O\n0.000000 0.500000 0.229663 O\n0.000000 0.500000 0.770333 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-Fe-O",
"density": 3.6567978770209977,
"density_atomic": 0.07024411734186263,
"volume": 199.3049458058543,
"volume_molar": 8.573160270050186,
"formula_full": "Ca4 Fe2 Cl2 O6",
"formula_reduced": "Ca2FeClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.260454415357143,
"spacegroup": 129
}
]
}