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=spacegroup&page=1204",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1202",
"results": [
{
"id": "jvasp-13815",
"created_at": "2022-09-04T14:37:50.812630Z",
"updated_at": "2022-09-04T14:37:50.812656Z",
"structure_string": "Mg2 Ge2 O6\n1.0\n2.845360 0.000000 -0.000000\n-1.422680 4.718688 -0.000000\n-0.000000 -0.000000 7.004423\nMg Ge O\n2 2 6\ndirect\n0.740148 0.480295 0.250000 Mg\n0.259853 0.519705 0.750000 Mg\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.631966 0.263931 0.939656 O\n0.368035 0.736070 0.060343 O\n0.368035 0.736070 0.439656 O\n0.631966 0.263931 0.560343 O\n0.915047 0.830093 0.750000 O\n0.084954 0.169908 0.250000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-O",
"density": 5.118539844676218,
"density_atomic": 0.10633326517201577,
"volume": 94.04394743096582,
"volume_molar": 5.663458890553165,
"formula_full": "Mg2 Ge2 O6",
"formula_reduced": "MgGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.0896410999999997,
"spacegroup": 63
},
{
"id": "jvasp-109101",
"created_at": "2022-09-04T14:37:50.884005Z",
"updated_at": "2022-09-04T14:37:50.884027Z",
"structure_string": "Ho2 Mn4 Si2 C2\n1.0\n5.578188 0.000934 0.000000\n-4.360960 3.478248 0.000000\n-0.000000 -0.000000 6.952551\nHo Mn Si C\n2 4 2 2\ndirect\n0.543592 0.456408 0.250000 Ho\n0.456408 0.543592 0.750000 Ho\n0.831620 0.168379 0.061560 Mn\n0.168380 0.831621 0.938440 Mn\n0.168380 0.831621 0.561559 Mn\n0.831620 0.168379 0.438440 Mn\n0.264698 0.735302 0.250000 Si\n0.735302 0.264697 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ho",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Ho-Mn-Si",
"density": 7.7511531310357125,
"density_atomic": 0.07411582778488701,
"volume": 134.9239467313769,
"volume_molar": 8.125309991110937,
"formula_full": "Ho2 Mn4 Si2 C2",
"formula_reduced": "HoMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.9479497298850577,
"spacegroup": 63
},
{
"id": "jvasp-91797",
"created_at": "2022-09-04T14:37:51.500439Z",
"updated_at": "2022-09-04T14:37:51.500470Z",
"structure_string": "Tm2 Ge6\n1.0\n0.000000 0.000000 -3.916031\n-4.020301 0.000000 0.000000\n2.010150 10.335417 0.000000\nTm Ge\n2 6\ndirect\n0.750000 0.081789 0.163576 Tm\n0.250000 0.918211 0.836424 Tm\n0.750000 0.459228 0.918456 Ge\n0.250000 0.540772 0.081544 Ge\n0.750000 0.688127 0.376253 Ge\n0.250000 0.311873 0.623747 Ge\n0.250000 0.190169 0.380338 Ge\n0.750000 0.809831 0.619662 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Ge"
],
"chemical_system": "Ge-Tm",
"density": 7.895756125742822,
"density_atomic": 0.04916514137177162,
"volume": 162.71691236493086,
"volume_molar": 12.248801878677478,
"formula_full": "Tm2 Ge6",
"formula_reduced": "TmGe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.825888025,
"spacegroup": 63
},
{
"id": "jvasp-13872",
"created_at": "2022-09-04T14:37:51.389651Z",
"updated_at": "2022-09-04T14:37:51.389675Z",
"structure_string": "Fe6 O8\n1.0\n2.828005 0.000000 0.000000\n-1.414002 4.707795 0.000000\n0.000000 -0.000000 9.605977\nFe O\n6 8\ndirect\n0.130602 0.261204 0.572269 Fe\n0.869396 0.738794 0.427731 Fe\n0.869396 0.738794 0.072268 Fe\n0.130602 0.261204 0.927731 Fe\n0.624461 0.248922 0.250000 Fe\n0.375538 0.751076 0.750000 Fe\n0.499999 0.000000 0.500000 O\n0.499999 0.000000 0.000000 O\n0.219891 0.439781 0.112476 O\n0.780109 0.560217 0.887524 O\n0.780109 0.560217 0.612476 O\n0.219891 0.439781 0.387525 O\n0.037710 0.075421 0.750000 O\n0.962289 0.924578 0.250000 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 6.012456995917763,
"density_atomic": 0.10946840163658736,
"volume": 127.89078666259446,
"volume_molar": 5.501259422780532,
"formula_full": "Fe6 O8",
"formula_reduced": "Fe3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.0756900714285704,
"spacegroup": 63
},
{
"id": "jvasp-97632",
"created_at": "2022-09-04T14:37:52.260047Z",
"updated_at": "2022-09-04T14:37:52.260069Z",
"structure_string": "U12 O32\n1.0\n6.978941 0.000000 -0.058116\n0.000000 8.320537 0.000000\n0.096910 0.000000 11.630198\nU O\n12 32\ndirect\n0.498727 0.250000 0.180958 U\n0.503960 0.250000 0.499999 U\n0.001272 0.750000 0.319041 U\n0.496040 0.750000 0.500001 U\n0.501275 0.750000 0.180963 U\n-0.001272 0.250000 0.680959 U\n0.498725 0.250000 0.819036 U\n-0.001275 0.250000 0.319039 U\n0.501273 0.750000 0.819042 U\n0.001275 0.750000 0.680961 U\n0.003965 0.250000 -0.000001 U\n0.996035 0.750000 0.000001 U\n0.308931 0.250000 0.358179 O\n0.808928 0.250000 0.858185 O\n0.320454 0.750000 0.346944 O\n-0.000014 -0.000014 0.315300 O\n0.500010 0.499988 0.184701 O\n0.975845 0.250000 0.499988 O\n0.320458 0.750000 0.653054 O\n0.179548 0.250000 0.153054 O\n0.000000 0.000000 0.000000 O\n0.820458 0.750000 0.153059 O\n0.500010 0.000013 0.184701 O\n-0.000014 0.500014 0.315300 O\n0.500000 0.000000 0.500000 O\n0.679542 0.250000 0.346946 O\n0.475844 0.250000 -0.000010 O\n0.308938 0.250000 0.641818 O\n0.000014 0.499986 0.684700 O\n0.691062 0.750000 0.358182 O\n0.499989 -0.000013 0.815299 O\n0.191055 0.750000 0.858180 O\n0.808945 0.250000 0.141820 O\n0.191072 0.750000 0.141815 O\n0.499989 0.500013 0.815299 O\n0.179542 0.250000 0.846941 O\n0.820452 0.750000 0.846946 O\n0.024155 0.750000 0.500012 O\n0.679546 0.250000 0.653056 O\n0.500000 0.500000 0.500000 O\n0.524156 0.750000 0.000009 O\n0.000014 0.000014 0.684700 O\n0.691069 0.750000 0.641820 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 44,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.281429543757223,
"density_atomic": 0.06514701944279885,
"volume": 675.3954421296801,
"volume_molar": 9.243923684471289,
"formula_full": "U12 O32",
"formula_reduced": "U3O8",
"formula_anonymous": "A3B8",
"energy_above_hull": 3.7801014545454543,
"spacegroup": 63
},
{
"id": "jvasp-22777",
"created_at": "2022-09-04T14:37:51.490088Z",
"updated_at": "2022-09-04T14:37:51.490115Z",
"structure_string": "Y2 Al20 Fe4\n1.0\n6.769007 -0.005798 -0.000000\n-0.846343 6.715892 0.000000\n-0.000000 0.000000 9.008442\nY Al Fe\n2 20 4\ndirect\n0.873607 0.126393 0.250000 Y\n0.126394 0.873607 0.750000 Y\n0.227838 0.227838 0.500000 Al\n0.772163 0.772162 0.000000 Al\n0.772163 0.772162 0.500000 Al\n0.227838 0.227838 0.000000 Al\n0.373527 0.626473 0.546319 Al\n0.626473 0.373527 0.046319 Al\n0.626473 0.373527 0.453681 Al\n0.156236 0.843764 0.097206 Al\n0.583734 0.863334 0.750000 Al\n0.843764 0.156236 0.902794 Al\n0.156236 0.843764 0.402794 Al\n0.781526 0.521587 0.750000 Al\n0.218474 0.478412 0.250000 Al\n0.521588 0.781525 0.250000 Al\n0.478413 0.218474 0.750000 Al\n0.136666 0.416267 0.750000 Al\n0.863335 0.583733 0.250000 Al\n0.416267 0.136666 0.250000 Al\n0.843764 0.156236 0.597206 Al\n0.373527 0.626473 0.953681 Al\n0.500000 -0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Y",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Y",
"density": 3.815270266115402,
"density_atomic": 0.06349534338994521,
"volume": 409.47884698135556,
"volume_molar": 9.484381749093169,
"formula_full": "Y2 Al20 Fe4",
"formula_reduced": "Y(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.4908941884615383,
"spacegroup": 63
},
{
"id": "jvasp-85563",
"created_at": "2022-09-04T14:37:52.400235Z",
"updated_at": "2022-09-04T14:37:52.400254Z",
"structure_string": "W4 O12\n1.0\n3.902838 -0.000000 -0.012153\n0.000000 7.518001 0.000000\n0.063268 -0.000000 7.805565\nW O\n4 12\ndirect\n0.061197 0.250000 0.030580 W\n0.938803 0.750000 0.469420 W\n0.938806 0.750000 0.969419 W\n0.061199 0.250000 0.530580 W\n0.000000 0.500001 0.499999 O\n0.000000 0.000001 0.000000 O\n0.000000 -0.000001 0.499999 O\n0.000000 0.499999 0.000000 O\n0.481435 0.750000 0.988898 O\n0.977724 0.750000 0.240740 O\n0.518563 0.250000 0.511102 O\n0.481439 0.750000 0.488898 O\n0.022277 0.250000 0.259261 O\n0.977724 0.750000 0.740738 O\n0.022278 0.250000 0.759261 O\n0.518564 0.250000 0.011102 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.7235072134791665,
"density_atomic": 0.06985890479556753,
"volume": 229.03307812829013,
"volume_molar": 8.620433969904003,
"formula_full": "W4 O12",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.213232625,
"spacegroup": 63
},
{
"id": "jvasp-32138",
"created_at": "2022-09-04T14:37:52.818693Z",
"updated_at": "2022-09-04T14:37:52.818719Z",
"structure_string": "H4 C2 O6\n1.0\n2.864599 0.000000 3.066093\n2.864599 0.000000 -3.066093\n0.000000 6.625351 0.000000\nH C O\n4 2 6\ndirect\n0.431756 0.568244 0.207704 H\n0.431756 0.568244 0.792296 H\n0.068245 0.931756 0.707704 H\n0.068245 0.931756 0.292296 H\n0.407030 0.592971 0.500000 C\n0.092971 0.907029 0.000000 C\n0.201127 0.798874 0.500000 O\n0.298874 0.701126 0.000000 O\n0.524889 0.475112 0.335437 O\n0.524889 0.475112 0.664563 O\n0.975111 0.024889 0.835437 O\n0.975111 0.024889 0.164563 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.7699307678935694,
"density_atomic": 0.10310819859475592,
"volume": 116.38259773273083,
"volume_molar": 5.840603213008015,
"formula_full": "H4 C2 O6",
"formula_reduced": "H2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.211990083333333,
"spacegroup": 63
},
{
"id": "jvasp-56302",
"created_at": "2022-09-04T14:37:52.867138Z",
"updated_at": "2022-09-04T14:37:52.867171Z",
"structure_string": "Th2 Fe4 Si2 C2\n1.0\n3.896688 -0.000000 0.000000\n-1.948345 5.371637 -0.000000\n0.000000 -0.000000 6.815808\nTh Fe Si C\n2 4 2 2\ndirect\n0.941126 0.882250 0.250000 Th\n0.058876 0.117751 0.750000 Th\n0.663229 0.326457 0.060373 Fe\n0.663229 0.326457 0.439627 Fe\n0.336773 0.673544 0.939627 Fe\n0.336773 0.673544 0.560373 Fe\n0.223813 0.447625 0.250000 Si\n0.776189 0.552376 0.750000 Si\n0.500000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Th",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Th",
"density": 8.934944841167635,
"density_atomic": 0.07009392206597631,
"volume": 142.66572200921274,
"volume_molar": 8.591530595665091,
"formula_full": "Th2 Fe4 Si2 C2",
"formula_reduced": "ThFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.02640904,
"spacegroup": 63
},
{
"id": "jvasp-39228",
"created_at": "2022-09-04T14:37:52.880817Z",
"updated_at": "2022-09-04T14:37:52.880843Z",
"structure_string": "Li2 Mg4\n1.0\n3.148182 0.000000 0.000000\n1.574091 8.145276 0.000000\n0.000000 0.000000 5.043546\nLi Mg\n2 4\ndirect\n0.332601 0.334795 0.000000 Li\n0.111840 0.776318 0.499999 Li\n0.000424 -0.000848 0.000000 Mg\n0.667016 0.665969 0.000000 Mg\n0.444020 0.111959 0.499999 Mg\n0.777428 0.445144 0.499999 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.4264920378553985,
"density_atomic": 0.046392697780165054,
"volume": 129.33069830151734,
"volume_molar": 12.98079449601384,
"formula_full": "Li2 Mg4",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2714404761904762,
"spacegroup": 63
},
{
"id": "jvasp-38342",
"created_at": "2022-09-04T14:37:52.993745Z",
"updated_at": "2022-09-04T14:37:52.993756Z",
"structure_string": "Rb2 F6\n1.0\n5.353022 0.000186 0.000233\n-0.000240 5.780356 -0.095115\n-0.000336 -2.727207 5.101511\nRb F\n2 6\ndirect\n0.250001 0.643233 0.356378 Rb\n0.749996 0.356765 0.643555 Rb\n0.749986 0.367110 0.142714 F\n0.750020 0.856971 0.631825 F\n0.749997 0.748110 0.250929 F\n0.250012 0.632861 0.857213 F\n0.249984 0.143068 0.368253 F\n0.250000 0.251887 0.749129 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"F"
],
"chemical_system": "F-Rb",
"density": 3.023889870191905,
"density_atomic": 0.05112987714763782,
"volume": 156.4642914533112,
"volume_molar": 11.778124838068813,
"formula_full": "Rb2 F6",
"formula_reduced": "RbF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1941926412499999,
"spacegroup": 63
},
{
"id": "jvasp-30763",
"created_at": "2022-09-04T14:37:53.210957Z",
"updated_at": "2022-09-04T14:37:53.210986Z",
"structure_string": "Ta4 O10\n1.0\n10.359619 0.000000 0.000000\n0.000000 5.036005 -1.918919\n0.000000 0.000000 3.837837\nTa O\n4 10\ndirect\n0.176925 0.764945 0.882473 Ta\n0.323075 0.235054 0.617527 Ta\n0.676925 0.235054 0.617527 Ta\n0.823075 0.764945 0.882473 Ta\n0.000000 0.885584 0.942792 O\n0.138318 0.406253 0.703127 O\n0.206334 0.857968 0.428983 O\n0.293666 0.142029 0.071015 O\n0.361682 0.593746 0.796873 O\n0.500000 0.114415 0.557208 O\n0.638318 0.593746 0.796873 O\n0.861682 0.406253 0.703127 O\n0.706334 0.142029 0.071015 O\n0.793666 0.857968 0.428983 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 7.329587227517258,
"density_atomic": 0.06992163485195502,
"volume": 200.22415136090825,
"volume_molar": 8.612700164620966,
"formula_full": "Ta4 O10",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.732806557142857,
"spacegroup": 63
}
]
}