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=-updated_at&page=3649",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=3647",
"results": [
{
"id": "jvasp-106146",
"created_at": "2022-09-04T14:36:13.800102Z",
"updated_at": "2022-09-04T14:36:13.800129Z",
"structure_string": "Ba1 La1 Cr1 Mo1 O6\n1.0\n4.874650 0.000000 2.814381\n1.624883 4.595865 2.814381\n-0.000000 -0.000000 5.628762\nBa La Cr Mo O\n1 1 1 1 6\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.499999 0.500000 Mo\n0.752523 0.752522 0.247477 O\n0.247477 0.752522 0.247477 O\n0.752523 0.247477 0.247477 O\n0.247477 0.247477 0.752523 O\n0.752523 0.247477 0.752523 O\n0.247477 0.752522 0.752523 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Cr",
"Mo",
"O"
],
"chemical_system": "Ba-Cr-La-Mo-O",
"density": 6.849622094726005,
"density_atomic": 0.07930058885261143,
"volume": 126.10246840141455,
"volume_molar": 7.594068148967706,
"formula_full": "Ba1 La1 Cr1 Mo1 O6",
"formula_reduced": "BaLaCrMoO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.945329527,
"spacegroup": 216
},
{
"id": "jvasp-53591",
"created_at": "2022-09-04T14:36:13.800093Z",
"updated_at": "2022-09-04T14:36:13.800110Z",
"structure_string": "Cr2 Sb1 Te1\n1.0\n2.134649 -3.697321 -0.000000\n2.134649 3.697321 0.000000\n-0.000000 -0.000000 4.935004\nCr Sb Te\n2 1 1\ndirect\n0.000000 0.000000 0.716815 Cr\n0.000000 0.000000 0.283184 Cr\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"Te"
],
"chemical_system": "Cr-Sb-Te",
"density": 7.532267943107962,
"density_atomic": 0.051348629283878684,
"volume": 77.89886615835785,
"volume_molar": 11.727948426250785,
"formula_full": "Cr2 Sb1 Te1",
"formula_reduced": "Cr2SbTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.081852166666667,
"spacegroup": 187
},
{
"id": "jvasp-71530",
"created_at": "2022-09-04T14:36:13.795165Z",
"updated_at": "2022-09-04T14:36:13.795185Z",
"structure_string": "Be2 Zn1 Pb1\n1.0\n3.148868 0.000000 0.000000\n0.000000 3.148868 -0.000000\n0.000000 0.000000 6.734311\nBe Zn Pb\n2 1 1\ndirect\n0.000000 0.000000 0.664675 Be\n0.000000 0.000000 0.335325 Be\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Pb"
],
"chemical_system": "Be-Pb-Zn",
"density": 7.2275729936450555,
"density_atomic": 0.05990428812013004,
"volume": 66.77318311468012,
"volume_molar": 10.052937692746474,
"formula_full": "Be2 Zn1 Pb1",
"formula_reduced": "Be2ZnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.82060114,
"spacegroup": 123
},
{
"id": "jvasp-75751",
"created_at": "2022-09-04T14:36:13.791691Z",
"updated_at": "2022-09-04T14:36:13.791720Z",
"structure_string": "Ti1 As1 Os2\n1.0\n0.000000 3.131307 3.131307\n3.131307 0.000000 3.131307\n3.131307 3.131307 -0.000000\nTi As Os\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"Os"
],
"chemical_system": "As-Os-Ti",
"density": 13.608953514371562,
"density_atomic": 0.06514079418256834,
"volume": 61.40545337518159,
"volume_molar": 9.244807091424015,
"formula_full": "Ti1 As1 Os2",
"formula_reduced": "TiAsOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.569667520833334,
"spacegroup": 216
},
{
"id": "jvasp-52579",
"created_at": "2022-09-04T14:36:13.788902Z",
"updated_at": "2022-09-04T14:36:13.788927Z",
"structure_string": "Al10 O15\n1.0\n5.602296 -0.006846 0.040685\n-2.801875 4.872792 0.014162\n-1.493431 -1.249238 9.122689\nAl O\n10 15\ndirect\n0.586550 0.254623 0.123323 Al\n0.904358 -0.013655 0.014375 Al\n0.949167 0.962722 0.310225 Al\n0.482527 0.481788 0.329867 Al\n0.755428 0.872665 0.630820 Al\n0.327566 0.426765 0.823782 Al\n0.398706 0.176795 0.557346 Al\n0.032235 0.520885 0.495282 Al\n0.836389 0.430635 0.825426 Al\n0.322346 0.910797 0.821606 Al\n0.531803 0.271097 0.926566 O\n0.598715 0.066012 0.689631 O\n0.112454 0.559917 0.696486 O\n0.031838 0.784096 0.924497 O\n0.663646 0.337906 0.442976 O\n0.164974 0.851403 0.437154 O\n0.257396 0.147314 0.186560 O\n0.137575 0.071460 0.690788 O\n0.678016 0.827016 0.434659 O\n0.728079 0.607620 0.200913 O\n0.535491 0.779495 0.915516 O\n0.185603 0.327938 0.431141 O\n0.786953 0.099624 0.169735 O\n0.596032 0.526213 0.690971 O\n0.036140 0.288842 0.920347 O\n",
"nsites": 25,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.39434078730266,
"density_atomic": 0.10024000570095784,
"volume": 249.40142236804675,
"volume_molar": 6.00772188497836,
"formula_full": "Al10 O15",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.61595522,
"spacegroup": 1
},
{
"id": "jvasp-48261",
"created_at": "2022-09-04T14:36:13.788488Z",
"updated_at": "2022-09-04T14:36:13.788516Z",
"structure_string": "Li3 Fe3 O8\n1.0\n5.634816 -0.001822 -0.003520\n-2.815808 4.880844 0.001443\n-2.814958 -1.625490 4.774720\nLi Fe O\n3 3 8\ndirect\n0.000580 0.000373 0.000926 Li\n0.241574 0.620858 0.862412 Li\n0.759590 0.379889 0.139444 Li\n0.500585 0.500376 0.500928 Fe\n0.500585 0.000374 0.500928 Fe\n0.000580 0.000373 0.500929 Fe\n0.502398 0.751288 0.712946 O\n0.961655 0.751254 0.712900 O\n0.961674 0.210568 0.712934 O\n0.477134 0.238658 0.715774 O\n0.498764 0.249458 0.288906 O\n0.039507 0.249492 0.288951 O\n0.039487 0.790177 0.288918 O\n0.524034 0.762091 0.286086 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.00266583090121,
"density_atomic": 0.10667337608775028,
"volume": 131.24174478628575,
"volume_molar": 5.645401862078636,
"formula_full": "Li3 Fe3 O8",
"formula_reduced": "Li3Fe3O8",
"formula_anonymous": "A3B3C8",
"energy_above_hull": 2.674807464285714,
"spacegroup": 166
},
{
"id": "jvasp-66508",
"created_at": "2022-09-04T14:36:13.781806Z",
"updated_at": "2022-09-04T14:36:13.781831Z",
"structure_string": "Ba4 Mn1 Tc1\n1.0\n-0.000000 4.879388 4.879388\n4.879388 -0.000000 4.879388\n4.879388 4.879388 -0.000000\nBa Mn Tc\n4 1 1\ndirect\n0.123597 0.625468 0.625468 Ba\n0.625468 0.625468 0.625468 Ba\n0.625468 0.123597 0.625468 Ba\n0.625468 0.625468 0.123597 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Tc"
],
"chemical_system": "Ba-Mn-Tc",
"density": 5.018943912549567,
"density_atomic": 0.025824099915035044,
"volume": 232.34110848938982,
"volume_molar": 23.319847660958942,
"formula_full": "Ba4 Mn1 Tc1",
"formula_reduced": "Ba4MnTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8393004368965515,
"spacegroup": 216
},
{
"id": "jvasp-75788",
"created_at": "2022-09-04T14:36:13.775715Z",
"updated_at": "2022-09-04T14:36:13.775742Z",
"structure_string": "Nb1 Ga1 As1\n1.0\n0.000000 3.130038 3.130038\n3.130038 0.000000 3.130038\n3.130038 3.130038 -0.000000\nNb Ga As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750001 0.750001 0.750001 Ga\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"As"
],
"chemical_system": "As-Ga-Nb",
"density": 6.431719532597027,
"density_atomic": 0.048915041774434155,
"volume": 61.330827720318425,
"volume_molar": 12.311429248635582,
"formula_full": "Nb1 Ga1 As1",
"formula_reduced": "NbGaAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3816944916666665,
"spacegroup": 216
},
{
"id": "jvasp-64224",
"created_at": "2022-09-04T14:36:13.773976Z",
"updated_at": "2022-09-04T14:36:13.773998Z",
"structure_string": "Ba4 Ga1 Se1\n1.0\n0.000000 4.920028 4.920028\n4.920028 0.000000 4.920028\n4.920028 4.920028 -0.000000\nBa Ga Se\n4 1 1\ndirect\n0.122410 0.625863 0.625863 Ba\n0.625863 0.625863 0.625863 Ba\n0.625863 0.122410 0.625863 Ba\n0.625863 0.625863 0.122410 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Se"
],
"chemical_system": "Ba-Ga-Se",
"density": 4.865933860357622,
"density_atomic": 0.025189441106877073,
"volume": 238.19504269834377,
"volume_molar": 23.907401257727276,
"formula_full": "Ba4 Ga1 Se1",
"formula_reduced": "Ba4GaSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0838903233333333,
"spacegroup": 216
},
{
"id": "jvasp-69224",
"created_at": "2022-09-04T14:36:13.773440Z",
"updated_at": "2022-09-04T14:36:13.773460Z",
"structure_string": "Ba2 Tl1 Cl1\n1.0\n-0.000000 4.183589 4.183589\n4.183589 0.000000 4.183589\n4.183589 4.183589 0.000000\nBa Tl Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Cl"
],
"chemical_system": "Ba-Cl-Tl",
"density": 5.8337693670708255,
"density_atomic": 0.027313852410447714,
"volume": 146.4458378075579,
"volume_molar": 22.047936224831084,
"formula_full": "Ba2 Tl1 Cl1",
"formula_reduced": "Ba2TlCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90663",
"created_at": "2022-09-04T14:36:13.772981Z",
"updated_at": "2022-09-04T14:36:13.773002Z",
"structure_string": "Cu2 Sn1 Hg1 Te4\n1.0\n6.314310 -0.000000 0.000000\n-0.000000 6.314310 0.000000\n-3.157156 -3.157156 6.226754\nCu Sn Hg Te\n2 1 1 4\ndirect\n0.749999 0.249999 0.500000 Cu\n0.249999 0.749999 0.500000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.891083 0.891083 0.286079 Te\n0.394997 0.394997 0.286079 Te\n0.108916 0.605002 0.713920 Te\n0.605002 0.108916 0.713920 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cu",
"Sn",
"Hg",
"Te"
],
"chemical_system": "Cu-Hg-Sn-Te",
"density": 6.399604351941225,
"density_atomic": 0.03222377965452638,
"volume": 248.26386245712376,
"volume_molar": 18.688499066725985,
"formula_full": "Cu2 Sn1 Hg1 Te4",
"formula_reduced": "Cu2SnHgTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.2127722833333334,
"spacegroup": 121
},
{
"id": "jvasp-63900",
"created_at": "2022-09-04T14:36:13.772930Z",
"updated_at": "2022-09-04T14:36:13.772952Z",
"structure_string": "Ba4 Tc1 Mo1\n1.0\n0.000000 4.823744 4.823744\n4.823744 0.000000 4.823744\n4.823744 4.823744 -0.000000\nBa Tc Mo\n4 1 1\ndirect\n0.124394 0.625202 0.625202 Ba\n0.625202 0.625202 0.625202 Ba\n0.625202 0.124394 0.625202 Ba\n0.625202 0.625202 0.124394 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tc",
"Mo"
],
"chemical_system": "Ba-Mo-Tc",
"density": 5.4979412771911855,
"density_atomic": 0.02672812542212133,
"volume": 224.48263412570438,
"volume_molar": 22.531100348009524,
"formula_full": "Ba4 Tc1 Mo1",
"formula_reduced": "Ba4TcMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.212545213333333,
"spacegroup": 216
}
]
}