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=4125",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4123",
"results": [
{
"id": "jvasp-112693",
"created_at": "2022-09-04T14:38:43.375568Z",
"updated_at": "2022-09-04T14:38:43.375603Z",
"structure_string": "Ce1 Ho4 S7\n1.0\n6.560890 -0.001631 1.667977\n5.458732 3.639716 1.667977\n0.014111 0.004271 11.572100\nCe Ho S\n1 4 7\ndirect\n0.000000 0.000000 0.000000 Ce\n0.112438 0.112438 0.576816 Ho\n0.887560 0.887563 0.423184 Ho\n0.300408 0.300409 0.809338 Ho\n0.699590 0.699592 0.190662 Ho\n0.261195 0.261195 0.353879 S\n0.738804 0.738806 0.646121 S\n0.665674 0.665675 0.945735 S\n0.334325 0.334326 0.054265 S\n0.956049 0.956051 0.778823 S\n0.043950 0.043950 0.221177 S\n0.499999 0.500001 0.500000 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Ho",
"S"
],
"chemical_system": "Ce-Ho-S",
"density": 6.154824588416232,
"density_atomic": 0.04342341040082102,
"volume": 276.348630594273,
"volume_molar": 13.868419602266288,
"formula_full": "Ce1 Ho4 S7",
"formula_reduced": "CeHo4S7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.956231480555556,
"spacegroup": 12
},
{
"id": "jvasp-114568",
"created_at": "2022-09-04T14:38:42.323206Z",
"updated_at": "2022-09-04T14:38:42.323230Z",
"structure_string": "Ba1 F3\n1.0\n4.283592 0.111038 1.676146\n-2.022143 -3.597652 -0.710212\n-2.567933 -2.287573 -4.942035\nBa F\n1 3\ndirect\n0.624271 0.500136 0.750507 Ba\n0.165937 0.041679 0.023123 F\n0.624192 0.500093 0.250513 F\n0.082491 -0.041479 0.477852 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"F"
],
"chemical_system": "Ba-F",
"density": 5.328005529291224,
"density_atomic": 0.06604700377704699,
"volume": 60.56292899376159,
"volume_molar": 9.117962080957938,
"formula_full": "Ba1 F3",
"formula_reduced": "BaF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.194735070625,
"spacegroup": 12
},
{
"id": "jvasp-116501",
"created_at": "2022-09-04T14:38:42.399150Z",
"updated_at": "2022-09-04T14:38:42.399173Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.834096 0.073740 -0.028384\n1.131139 11.751220 1.137796\n0.053786 -0.046575 5.030816\nLi Mn O\n6 4 10\ndirect\n0.899881 0.200007 0.299995 Li\n0.399946 0.200002 0.800003 Li\n0.303749 0.392234 0.092794 Li\n0.496235 0.007773 0.507216 Li\n0.701828 0.596383 0.900323 Li\n0.098233 0.803623 0.699665 Li\n0.996734 0.006220 0.992473 Mn\n0.600916 0.798159 0.201280 Mn\n0.803280 0.393778 0.607538 Mn\n0.199147 0.601839 0.398712 Mn\n0.053952 0.891469 0.328910 O\n0.455152 0.088867 0.141360 O\n0.344848 0.311129 0.458651 O\n0.844753 0.310689 0.922644 O\n0.955224 0.089311 0.677375 O\n0.250409 0.498976 0.721112 O\n0.549603 0.901021 0.878886 O\n0.651066 0.697411 0.534272 O\n0.148970 0.702584 0.065724 O\n0.746103 0.508528 0.271087 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.182504419310138,
"density_atomic": 0.1195448399213864,
"volume": 167.3012403810332,
"volume_molar": 5.03755809448589,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 2.4975401982758623,
"spacegroup": 12
},
{
"id": "jvasp-116803",
"created_at": "2022-09-04T14:38:43.280210Z",
"updated_at": "2022-09-04T14:38:43.280231Z",
"structure_string": "Y3 Fe6 O12\n1.0\n3.484973 -0.016000 -0.023158\n1.737489 3.020997 -0.023158\n-0.219191 -0.126122 24.238888\nY Fe O\n3 6 12\ndirect\n0.309088 0.309090 0.658302 Y\n0.000000 0.000000 0.000000 Y\n0.690911 0.690912 0.341698 Y\n0.373524 0.373525 0.462911 Fe\n0.675281 0.675282 0.123993 Fe\n0.324718 0.324719 0.876007 Fe\n0.015832 0.015832 0.217963 Fe\n-0.015832 -0.015831 0.782037 Fe\n0.626475 0.626476 0.537089 Fe\n0.010114 0.010114 0.130254 O\n0.669168 0.669170 0.043210 O\n0.977838 0.977840 0.700908 O\n0.681080 0.681082 0.212318 O\n0.290287 0.290288 0.537023 O\n0.022161 0.022162 0.299092 O\n0.318919 0.318920 0.787682 O\n0.330831 0.330832 0.956790 O\n0.639242 0.639244 0.614989 O\n-0.010114 -0.010114 0.869746 O\n0.709712 0.709714 0.462977 O\n0.360757 0.360758 0.385011 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-O-Y",
"density": 5.152008954585647,
"density_atomic": 0.0820817227048214,
"volume": 255.84258356174195,
"volume_molar": 7.336762145766058,
"formula_full": "Y3 Fe6 O12",
"formula_reduced": "Y(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.8641972071428565,
"spacegroup": 12
},
{
"id": "jvasp-111911",
"created_at": "2022-09-04T14:38:42.489695Z",
"updated_at": "2022-09-04T14:38:42.489729Z",
"structure_string": "Ba1 Mo1 P2 O8\n1.0\n4.923777 -0.004587 0.328327\n2.053014 4.475347 0.328327\n0.017726 0.011359 7.827700\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mo\n0.369920 0.369920 0.290118 P\n0.630081 0.630080 0.709883 P\n0.285457 0.762146 0.687474 O\n0.686190 0.686189 0.890059 O\n0.714543 0.237854 0.312527 O\n0.235499 0.235498 0.438424 O\n0.764502 0.764502 0.561577 O\n0.237854 0.714543 0.312527 O\n0.313811 0.313811 0.109941 O\n0.762147 0.285457 0.687474 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mo-O-P",
"density": 4.073357105018789,
"density_atomic": 0.06955510273855543,
"volume": 172.5250848252751,
"volume_molar": 8.658086212072888,
"formula_full": "Ba1 Mo1 P2 O8",
"formula_reduced": "BaMo(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.9423467391666667,
"spacegroup": 12
},
{
"id": "jvasp-112676",
"created_at": "2022-09-04T14:38:42.637649Z",
"updated_at": "2022-09-04T14:38:42.637670Z",
"structure_string": "K4 Ba1 Nb5 O15\n1.0\n8.785292 0.000396 2.349109\n6.904177 5.432651 2.349109\n0.001511 0.000523 7.046322\nK Ba Nb O\n4 1 5 15\ndirect\n0.599807 0.599807 0.598402 K\n0.200691 0.200691 0.200546 K\n0.799309 0.799309 0.799454 K\n0.400192 0.400192 0.401598 K\n0.000000 0.000000 0.000000 Ba\n0.201426 0.201426 0.696618 Nb\n0.798574 0.798574 0.303383 Nb\n0.397948 0.397947 0.900327 Nb\n0.000000 -0.000000 0.500000 Nb\n0.602052 0.602053 0.099673 Nb\n0.702084 0.198345 0.702119 O\n0.099168 0.602583 0.099345 O\n0.500000 0.000000 0.500000 O\n0.700089 0.700090 0.200224 O\n0.099326 0.099325 0.602836 O\n0.500000 0.500000 0.000000 O\n0.602583 0.099168 0.099345 O\n0.299911 0.299910 0.799776 O\n0.801655 0.297916 0.297881 O\n0.198345 0.702084 0.702119 O\n0.297916 0.801655 0.297881 O\n0.000000 0.500000 0.500000 O\n0.397417 0.900832 0.900655 O\n0.900674 0.900675 0.397164 O\n0.900832 0.397416 0.900655 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"K",
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-K-Nb-O",
"density": 4.929554676879178,
"density_atomic": 0.07434680028978347,
"volume": 336.2619494390727,
"volume_molar": 8.100067167016395,
"formula_full": "K4 Ba1 Nb5 O15",
"formula_reduced": "K4BaNb5O15",
"formula_anonymous": "AB4C5D15",
"energy_above_hull": 2.9388894988,
"spacegroup": 12
},
{
"id": "jvasp-115153",
"created_at": "2022-09-04T14:38:42.997022Z",
"updated_at": "2022-09-04T14:38:42.997040Z",
"structure_string": "In1 S2\n1.0\n6.324483 1.468350 0.109525\n-2.701918 -2.670465 -0.491326\n-2.204758 -3.448318 -5.873016\nIn S\n1 2\ndirect\n0.805591 -0.172842 0.081407 In\n0.016673 0.279267 0.357049 S\n0.594518 0.375121 0.805763 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 4.425712371482552,
"density_atomic": 0.04468157711774113,
"volume": 67.14176610406237,
"volume_molar": 13.477905545122013,
"formula_full": "In1 S2",
"formula_reduced": "InS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8623833233333336,
"spacegroup": 12
},
{
"id": "jvasp-112691",
"created_at": "2022-09-04T14:38:42.760518Z",
"updated_at": "2022-09-04T14:38:42.760543Z",
"structure_string": "Co2 Ni2 Sb12\n1.0\n6.506858 -0.000309 4.583124\n0.003665 6.506857 4.583124\n-0.000927 -0.000926 9.202690\nCo Ni Sb\n2 2 12\ndirect\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 -0.000001 Ni\n0.500000 -0.000000 -0.000000 Ni\n0.668938 0.668937 0.489942 Sb\n0.331063 0.331063 0.510057 Sb\n0.662760 0.662760 0.178012 Sb\n0.337240 0.337240 0.821987 Sb\n0.161782 0.843365 0.663244 Sb\n0.838218 0.156635 0.336755 Sb\n0.843365 0.161781 0.663244 Sb\n0.156635 0.838218 0.336755 Sb\n0.825089 0.493115 0.838007 Sb\n0.174912 0.506885 0.161992 Sb\n0.506885 0.174912 0.161992 Sb\n0.493116 0.825088 0.838007 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Co",
"Ni",
"Sb"
],
"chemical_system": "Co-Ni-Sb",
"density": 7.2285556416106544,
"density_atomic": 0.041058304705053714,
"volume": 389.6897379211719,
"volume_molar": 14.667290340555043,
"formula_full": "Co2 Ni2 Sb12",
"formula_reduced": "CoNiSb6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.0191074875,
"spacegroup": 12
},
{
"id": "jvasp-112823",
"created_at": "2022-09-04T14:38:42.842009Z",
"updated_at": "2022-09-04T14:38:42.842033Z",
"structure_string": "Li3 Fe2 Co2 O8\n1.0\n4.896932 -0.045092 2.823791\n-1.617481 4.639925 2.850647\n0.000304 0.035879 5.702982\nLi Fe Co O\n3 2 2 8\ndirect\n0.000000 0.500001 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500001 0.500000 Li\n-0.000000 0.500001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.000000 0.000000 Co\n-0.000000 0.000000 0.500000 Co\n0.240140 0.216088 0.018898 O\n0.237585 0.762423 0.019888 O\n0.216084 0.240145 0.524853 O\n0.240717 0.759267 0.483275 O\n0.759282 0.240734 0.516724 O\n0.783915 0.759857 0.475146 O\n0.762415 0.237578 0.980112 O\n0.759859 0.783913 0.981101 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.889728610592768,
"density_atomic": 0.11673603920402663,
"volume": 128.49502263635648,
"volume_molar": 5.158767421836833,
"formula_full": "Li3 Fe2 Co2 O8",
"formula_reduced": "Li3Fe2(CoO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.7716640533333337,
"spacegroup": 12
},
{
"id": "jvasp-112826",
"created_at": "2022-09-04T14:38:42.862799Z",
"updated_at": "2022-09-04T14:38:42.862827Z",
"structure_string": "Li4 Mn5 Fe1 O12\n1.0\n4.863325 -0.030179 0.199254\n-2.422810 4.216969 0.199254\n0.410347 0.703965 9.930422\nLi Mn Fe O\n4 5 1 12\ndirect\n0.915389 0.245384 0.241145 Li\n0.754615 0.084609 0.758854 Li\n0.245384 0.915390 0.241145 Li\n0.084610 0.754615 0.758854 Li\n0.833233 0.166766 0.500000 Mn\n0.336752 0.663248 -0.000000 Mn\n0.663247 0.336752 -0.000000 Mn\n0.166767 0.833233 0.499999 Mn\n0.500000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Fe\n-0.029864 0.627184 0.107151 O\n0.706907 0.706907 0.890695 O\n0.372816 0.029863 0.892848 O\n0.199089 0.536367 0.391559 O\n0.873443 0.873443 0.391294 O\n0.029864 0.372815 0.892848 O\n0.463633 0.800910 0.608440 O\n0.800910 0.463632 0.608440 O\n0.627184 -0.029864 0.107151 O\n0.293092 0.293092 0.109304 O\n0.536367 0.199089 0.391559 O\n0.126556 0.126556 0.608705 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.533486799452701,
"density_atomic": 0.10914723037926959,
"volume": 201.5626042324064,
"volume_molar": 5.5174471574532875,
"formula_full": "Li4 Mn5 Fe1 O12",
"formula_reduced": "Li4Mn5FeO12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.1640697139498437,
"spacegroup": 12
},
{
"id": "jvasp-114742",
"created_at": "2022-09-04T14:38:42.925373Z",
"updated_at": "2022-09-04T14:38:42.925397Z",
"structure_string": "Cd1 F2\n1.0\n3.663162 -0.190933 -0.508219\n1.294420 -3.506592 -0.359254\n0.899141 -0.843430 -3.298421\nCd F\n1 2\ndirect\n0.079340 0.077161 0.082943 Cd\n0.816378 0.812789 0.827951 F\n0.342318 0.341520 0.337921 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"F"
],
"chemical_system": "Cd-F",
"density": 6.329731349307234,
"density_atomic": 0.07603036188888766,
"volume": 39.45792082884285,
"volume_molar": 7.920705110940916,
"formula_full": "Cd1 F2",
"formula_reduced": "CdF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0190266666666666,
"spacegroup": 12
},
{
"id": "jvasp-112659",
"created_at": "2022-09-04T14:38:43.041342Z",
"updated_at": "2022-09-04T14:38:43.041367Z",
"structure_string": "Na2 La2 Sc2 Nb2 O12\n1.0\n5.675018 -0.005735 0.017210\n-0.070645 5.674581 0.017210\n-0.014149 -0.014311 8.066239\nNa La Sc Nb O\n2 2 2 2 12\ndirect\n0.746940 0.253061 0.000000 Na\n0.253061 0.746939 0.000000 Na\n0.745760 0.254242 0.500000 La\n0.254241 0.745759 0.500000 La\n0.751789 0.751789 0.245465 Sc\n0.248212 0.248212 0.754535 Sc\n0.749118 0.749118 0.764808 Nb\n0.250883 0.250883 0.235192 Nb\n0.314801 0.314801 0.498744 O\n0.685200 0.685199 0.501257 O\n0.995111 0.995111 0.681090 O\n0.004890 0.004890 0.318911 O\n0.188206 0.188206 0.006409 O\n0.004035 0.492999 0.277688 O\n0.995966 0.507001 0.722312 O\n0.507001 0.995966 0.722312 O\n0.493700 0.493700 0.198132 O\n0.493000 0.004035 0.277688 O\n0.811795 0.811795 0.993591 O\n0.506301 0.506301 0.801868 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"La",
"Sc",
"Nb",
"O"
],
"chemical_system": "La-Na-Nb-O-Sc",
"density": 5.059795766637225,
"density_atomic": 0.0769943137027567,
"volume": 259.7594424597608,
"volume_molar": 7.821539631159001,
"formula_full": "Na2 La2 Sc2 Nb2 O12",
"formula_reduced": "NaLaScNbO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.518603965,
"spacegroup": 12
}
]
}