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=1259",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1257",
"results": [
{
"id": "jvasp-109202",
"created_at": "2022-09-04T14:38:06.830667Z",
"updated_at": "2022-09-04T14:38:06.830703Z",
"structure_string": "Ce2 Ni1 Ge3\n1.0\n4.246994 -0.000000 0.000000\n-2.123497 3.678005 0.000000\n0.000000 0.000000 7.986099\nCe Ni Ge\n2 1 3\ndirect\n0.666666 0.333333 0.234647 Ce\n0.666666 0.333333 0.765353 Ce\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ge\n0.333332 0.666666 -0.000000 Ge\n0.333332 0.666666 0.500000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 7.412335724915129,
"density_atomic": 0.048097510488090446,
"volume": 124.74658124947395,
"volume_molar": 12.520691193551812,
"formula_full": "Ce2 Ni1 Ge3",
"formula_reduced": "Ce2NiGe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.323616875,
"spacegroup": 187
},
{
"id": "jvasp-36879",
"created_at": "2022-09-04T14:38:06.824988Z",
"updated_at": "2022-09-04T14:38:06.825004Z",
"structure_string": "Tl1 Ge1 Br3\n1.0\n5.543105 -0.138876 -0.166580\n-0.068842 5.541500 0.071832\n-0.058688 0.139886 5.544715\nTl Ge Br\n1 1 3\ndirect\n0.046350 0.946584 0.939600 Tl\n0.495927 0.492186 0.490249 Ge\n0.466154 0.020139 0.519700 Br\n0.966397 0.520456 0.520840 Br\n0.465175 0.520637 0.019604 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"Br"
],
"chemical_system": "Br-Ge-Tl",
"density": 5.042750797489488,
"density_atomic": 0.029384633806301342,
"volume": 170.1569613887032,
"volume_molar": 20.494183455533115,
"formula_full": "Tl1 Ge1 Br3",
"formula_reduced": "TlGeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0109780000000002,
"spacegroup": 160
},
{
"id": "jvasp-37101",
"created_at": "2022-09-04T14:38:06.819546Z",
"updated_at": "2022-09-04T14:38:06.819565Z",
"structure_string": "Sc2 Al2\n1.0\n0.000000 0.000000 4.358920\n3.339671 0.000000 0.000000\n-1.669836 5.548211 -0.000000\nSc Al\n2 2\ndirect\n0.250000 0.162336 0.324673 Sc\n0.750000 0.837662 0.675327 Sc\n0.250000 0.429535 0.859075 Al\n0.750000 0.570463 0.140925 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Al"
],
"chemical_system": "Al-Sc",
"density": 2.9580028153187063,
"density_atomic": 0.04952499478340285,
"volume": 80.7672977552843,
"volume_molar": 12.159800897178853,
"formula_full": "Sc2 Al2",
"formula_reduced": "ScAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.209834025,
"spacegroup": 63
},
{
"id": "jvasp-29613",
"created_at": "2022-09-04T14:38:06.814449Z",
"updated_at": "2022-09-04T14:38:06.814465Z",
"structure_string": "Cu6 I6\n1.0\n4.161580 -0.000000 -0.000000\n-2.080789 3.604033 0.000000\n-0.000000 0.000000 21.706390\nCu I\n6 6\ndirect\n0.000000 -0.000000 0.781905 Cu\n0.333333 0.666666 0.050876 Cu\n0.000000 -0.000000 0.448856 Cu\n0.000000 -0.000000 0.114736 Cu\n0.666667 0.333333 0.718083 Cu\n0.333333 0.666666 0.385281 Cu\n0.000000 -0.000000 0.328108 I\n0.000000 -0.000000 0.661184 I\n0.333333 0.666666 0.171830 I\n0.333333 0.666666 0.506078 I\n0.666667 0.333333 0.839013 I\n0.000000 -0.000000 0.994020 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.828379047527039,
"density_atomic": 0.03685926218924231,
"volume": 325.56267508529515,
"volume_molar": 16.338202129714936,
"formula_full": "Cu6 I6",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy_above_hull": 0.003585,
"spacegroup": 156
},
{
"id": "jvasp-14532",
"created_at": "2022-09-04T14:38:06.814425Z",
"updated_at": "2022-09-04T14:38:06.814452Z",
"structure_string": "Yb1 P1\n1.0\n3.537102 -0.000000 2.042147\n1.179034 3.334812 2.042147\n0.000000 -0.000000 4.084293\nYb P\n1 1\ndirect\n0.499999 0.500000 0.500001 Yb\n0.000000 0.000000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"P"
],
"chemical_system": "P-Yb",
"density": 7.03190074859067,
"density_atomic": 0.04151396035037738,
"volume": 48.176564777728295,
"volume_molar": 14.506302721236898,
"formula_full": "Yb1 P1",
"formula_reduced": "YbP",
"formula_anonymous": "AB",
"energy_above_hull": 0.2855231,
"spacegroup": 225
},
{
"id": "jvasp-4720",
"created_at": "2022-09-04T14:38:06.814091Z",
"updated_at": "2022-09-04T14:38:06.814126Z",
"structure_string": "Pr1 Al2 Ni3\n1.0\n2.685778 -4.651902 0.000000\n2.685778 4.651902 0.000000\n0.000000 0.000000 3.789368\nPr Al Ni\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333334 0.666667 0.000000 Al\n0.666667 0.333334 0.000000 Al\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Pr",
"density": 6.505311697810416,
"density_atomic": 0.0633656365942529,
"volume": 94.68854607142359,
"volume_molar": 9.503795880030966,
"formula_full": "Pr1 Al2 Ni3",
"formula_reduced": "PrAl2Ni3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4183404416666667,
"spacegroup": 191
},
{
"id": "jvasp-44684",
"created_at": "2022-09-04T14:38:06.810916Z",
"updated_at": "2022-09-04T14:38:06.810933Z",
"structure_string": "Mn3 Fe1 O8\n1.0\n-0.041054 4.004113 4.004113\n4.004113 -0.041054 4.004113\n4.004113 4.004113 -0.041054\nMn Fe O\n3 1 8\ndirect\n0.500000 0.500000 0.000001 Mn\n0.500000 0.000001 0.500000 Mn\n0.000001 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Fe\n0.262387 0.262387 0.262387 O\n0.707973 0.265576 0.265576 O\n0.265576 0.707973 0.265576 O\n0.265576 0.265576 0.707973 O\n0.734423 0.734423 0.292027 O\n0.734423 0.292027 0.734423 O\n0.292027 0.734423 0.734423 O\n0.737613 0.737613 0.737613 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 4.440859799436452,
"density_atomic": 0.09204583496788699,
"volume": 130.36983155388364,
"volume_molar": 6.542545637291474,
"formula_full": "Mn3 Fe1 O8",
"formula_reduced": "Mn3FeO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.468183768678161,
"spacegroup": 166
},
{
"id": "jvasp-30114",
"created_at": "2022-09-04T14:38:06.808327Z",
"updated_at": "2022-09-04T14:38:06.808352Z",
"structure_string": "Mn2 O4\n1.0\n1.436905 -2.347495 -0.000295\n3.212081 0.353375 4.063225\n-3.903873 -2.390033 0.938843\nMn O\n2 4\ndirect\n-0.004909 0.008680 0.971207 Mn\n0.499962 -0.001219 0.528313 Mn\n0.125305 0.747936 0.553115 O\n0.596574 0.805515 0.076102 O\n0.369743 0.259525 0.946415 O\n0.898469 0.201937 0.423430 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.914568653364508,
"density_atomic": 0.10213008379406638,
"volume": 58.74860547552583,
"volume_molar": 5.896539527122054,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1904714137931043,
"spacegroup": 12
},
{
"id": "jvasp-14770",
"created_at": "2022-09-04T14:38:06.804909Z",
"updated_at": "2022-09-04T14:38:06.804929Z",
"structure_string": "Sr1 Hg1\n1.0\n3.958816 -0.000000 -0.000000\n0.000000 3.958816 -0.000000\n0.000000 0.000000 3.958816\nSr Hg\n1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 7.713690195693451,
"density_atomic": 0.032235472852122436,
"volume": 62.04345160918949,
"volume_molar": 18.68171994133938,
"formula_full": "Sr1 Hg1",
"formula_reduced": "SrHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.25513,
"spacegroup": 221
},
{
"id": "jvasp-35188",
"created_at": "2022-09-04T14:38:06.802804Z",
"updated_at": "2022-09-04T14:38:06.802830Z",
"structure_string": "Zn8 Si4 O16\n1.0\n4.841702 -0.000000 0.000000\n-0.000000 6.080083 0.000000\n0.000000 0.000000 10.369486\nZn Si O\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.483465 0.750000 0.780953 Zn\n0.016535 0.750000 0.280953 Zn\n0.516535 0.250000 0.219047 Zn\n0.983465 0.250000 0.719048 Zn\n0.427985 0.250000 0.903479 Si\n0.072014 0.250000 0.403478 Si\n0.572014 0.750000 0.096522 Si\n0.927985 0.750000 0.596522 Si\n0.281204 0.467162 0.835237 O\n0.218796 0.032837 0.335237 O\n0.281204 0.032837 0.835237 O\n0.218796 0.467162 0.335237 O\n0.718796 0.532837 0.164763 O\n0.781204 0.967162 0.664764 O\n0.216792 0.250000 0.551240 O\n0.233812 0.750000 0.093100 O\n0.783207 0.750000 0.448760 O\n0.716792 0.750000 0.948761 O\n0.766187 0.250000 0.906901 O\n0.733812 0.250000 0.406901 O\n0.781204 0.532837 0.664764 O\n0.266188 0.750000 0.593100 O\n0.283208 0.250000 0.051240 O\n0.718796 0.967162 0.164763 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 4.850164932403539,
"density_atomic": 0.09172616536917336,
"volume": 305.2564106142175,
"volume_molar": 6.5653466878970566,
"formula_full": "Zn8 Si4 O16",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2648033428571426,
"spacegroup": 62
},
{
"id": "jvasp-29729",
"created_at": "2022-09-04T14:38:06.800724Z",
"updated_at": "2022-09-04T14:38:06.800738Z",
"structure_string": "Fe4 Bi4 Sb4 S16\n1.0\n3.672029 0.000000 0.000000\n0.000000 11.551244 0.000000\n0.000000 0.000000 13.798508\nFe Bi Sb S\n4 4 4 16\ndirect\n0.250000 0.329250 0.342823 Fe\n0.750000 0.670750 0.657177 Fe\n0.250000 0.829249 0.157177 Fe\n0.750000 0.170750 0.842823 Fe\n0.750000 0.527730 0.109605 Bi\n0.250000 0.972270 0.609605 Bi\n0.250000 0.472270 0.890395 Bi\n0.750000 0.027730 0.390395 Bi\n0.750000 0.851819 0.920250 Sb\n0.250000 0.148180 0.079751 Sb\n0.750000 0.351819 0.579751 Sb\n0.250000 0.648180 0.420249 Sb\n0.750000 0.437408 0.402668 S\n0.750000 0.217835 0.285805 S\n0.250000 0.394342 0.193178 S\n0.250000 0.282164 0.785805 S\n0.750000 0.264741 0.988662 S\n0.250000 0.735259 0.011338 S\n0.750000 0.105658 0.693178 S\n0.250000 0.062592 0.902668 S\n0.750000 0.605657 0.806822 S\n0.750000 0.717835 0.214195 S\n0.250000 0.562592 0.597332 S\n0.250000 0.235259 0.488662 S\n0.250000 0.894342 0.306822 S\n0.750000 0.937408 0.097332 S\n0.750000 0.764741 0.511338 S\n0.250000 0.782164 0.714195 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Fe",
"Bi",
"Sb",
"S"
],
"chemical_system": "Bi-Fe-S-Sb",
"density": 5.842771952363277,
"density_atomic": 0.047839985744283324,
"volume": 585.2844553438414,
"volume_molar": 12.588090624001955,
"formula_full": "Fe4 Bi4 Sb4 S16",
"formula_reduced": "FeBiSbS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1606951285714286,
"spacegroup": 62
},
{
"id": "jvasp-35263",
"created_at": "2022-09-04T14:38:06.797823Z",
"updated_at": "2022-09-04T14:38:06.797852Z",
"structure_string": "Na8 Zn8 Se12\n1.0\n7.341324 -0.000000 -0.000000\n-0.000000 7.341324 -0.000000\n-0.000000 -0.000000 12.082831\nNa Zn Se\n8 8 12\ndirect\n0.940684 0.344648 0.445614 Na\n0.059316 0.655352 0.945614 Na\n0.844647 0.559315 0.695614 Na\n0.155352 0.440684 0.195614 Na\n0.655352 0.059316 0.054386 Na\n0.344648 0.940684 0.554386 Na\n0.559315 0.844647 0.304386 Na\n0.440684 0.155352 0.804386 Na\n0.690247 0.523095 0.115789 Zn\n0.309752 0.476905 0.615789 Zn\n0.023095 0.809752 0.365789 Zn\n0.976904 0.190247 0.865789 Zn\n0.476905 0.309752 0.384211 Zn\n0.809752 0.023095 0.634211 Zn\n0.190247 0.976904 0.134211 Zn\n0.523095 0.690247 0.884211 Zn\n0.781844 0.781844 0.500000 Se\n0.585296 0.277939 0.580528 Se\n0.414703 0.722060 0.080528 Se\n0.777939 0.914703 0.830528 Se\n0.222060 0.085296 0.330528 Se\n0.722060 0.414703 0.919472 Se\n0.277939 0.585296 0.419472 Se\n0.914703 0.777939 0.169472 Se\n0.085296 0.222060 0.669472 Se\n0.718155 0.281844 0.250000 Se\n0.281844 0.718155 0.750000 Se\n0.218155 0.218155 0.000000 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Se"
],
"chemical_system": "Na-Se-Zn",
"density": 4.2194276573730995,
"density_atomic": 0.04299723684200821,
"volume": 651.2046367743347,
"volume_molar": 14.005878522213273,
"formula_full": "Na8 Zn8 Se12",
"formula_reduced": "Na2Zn2Se3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.1761819095238096,
"spacegroup": 96
}
]
}