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=energy_above_hull&page=3474",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3472",
"results": [
{
"id": "jvasp-119375",
"created_at": "2022-09-04T14:38:31.895468Z",
"updated_at": "2022-09-04T14:38:31.895494Z",
"structure_string": "Li6 Mn2 P4 H2 O16\n1.0\n8.330685 0.000000 0.000000\n-0.000000 4.871343 1.192755\n-0.000000 0.087209 7.525702\nLi Mn P H O\n6 2 4 2 16\ndirect\n0.809753 0.065412 0.692441 Li\n0.655477 0.141391 0.377725 Li\n0.155476 0.858608 0.622275 Li\n0.309752 0.934587 0.307559 Li\n0.831758 0.605765 0.970944 Li\n0.331758 0.394235 0.029056 Li\n0.503220 0.761697 0.737859 Mn\n0.003220 0.238303 0.262141 Mn\n0.365640 0.375251 0.464308 P\n0.865640 0.624749 0.535692 P\n0.631859 0.121712 0.029948 P\n0.131858 0.878287 0.970052 P\n0.487431 0.680955 0.225981 H\n0.987432 0.319044 0.774019 H\n0.335479 0.630006 0.539133 O\n0.835479 0.369994 0.460867 O\n0.426469 0.490716 0.255710 O\n0.035125 0.635961 0.088366 O\n0.280292 0.765278 0.886323 O\n0.926469 0.509284 0.744291 O\n0.682342 0.920147 0.912286 O\n0.495122 0.180521 0.566257 O\n0.714865 0.791023 0.557996 O\n0.995122 0.819479 0.433744 O\n0.528701 0.968073 0.196909 O\n0.182342 0.079853 0.087715 O\n0.780292 0.234721 0.113677 O\n0.214865 0.208977 0.442004 O\n0.028701 0.031927 0.803091 O\n0.535125 0.364039 0.911634 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.9085647924642473,
"density_atomic": 0.09850966045806203,
"volume": 304.53866007153414,
"volume_molar": 6.113248926041901,
"formula_full": "Li6 Mn2 P4 H2 O16",
"formula_reduced": "Li3MnP2HO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.679279749425288,
"spacegroup": 4
},
{
"id": "jvasp-59279",
"created_at": "2022-09-04T14:38:13.310831Z",
"updated_at": "2022-09-04T14:38:13.310859Z",
"structure_string": "Nd1 Ti3 Fe1 Cu3 O12\n1.0\n6.349766 -0.000000 -0.000000\n-2.116589 6.091595 0.000000\n-2.116589 -3.045797 5.275475\nNd Ti Fe Cu O\n1 3 1 3 12\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 0.500000 -0.000000 Ti\n0.500000 0.499999 0.500000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Fe\n-0.000001 0.499999 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.123881 0.822842 0.298386 O\n0.174504 0.298385 0.475542 O\n0.304746 0.119920 0.823647 O\n0.301037 0.475542 0.177156 O\n0.698963 0.524456 0.822843 O\n0.481099 0.176352 0.296273 O\n0.695254 0.880078 0.176353 O\n0.825495 0.701613 0.524457 O\n0.876119 0.177156 0.701614 O\n0.815175 0.296272 0.119921 O\n0.184824 0.703726 0.880078 O\n0.518900 0.823646 0.703727 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Nd",
"Ti",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Nd-O-Ti",
"density": 5.910525170103006,
"density_atomic": 0.09801209758630447,
"volume": 204.0564429547997,
"volume_molar": 6.144283112293571,
"formula_full": "Nd1 Ti3 Fe1 Cu3 O12",
"formula_reduced": "NdTi3Fe(CuO4)3",
"formula_anonymous": "ABC3D3E12",
"energy_above_hull": 2.6794337675,
"spacegroup": 148
},
{
"id": "jvasp-64903",
"created_at": "2022-09-04T14:35:58.025441Z",
"updated_at": "2022-09-04T14:35:58.025451Z",
"structure_string": "Be2 Ni1 Mo1\n1.0\n-1.757097 1.757097 3.554681\n1.757097 -1.757097 3.554681\n1.757097 1.757097 -3.554681\nBe Ni Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Ni\n0.500000 0.500000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Mo"
],
"chemical_system": "Be-Mo-Ni",
"density": 6.531051540521775,
"density_atomic": 0.09111877923179612,
"volume": 43.89874440508516,
"volume_molar": 6.609110449867133,
"formula_full": "Be2 Ni1 Mo1",
"formula_reduced": "Be2NiMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.679482625,
"spacegroup": 119
},
{
"id": "jvasp-89907",
"created_at": "2022-09-04T14:36:09.179274Z",
"updated_at": "2022-09-04T14:36:09.179294Z",
"structure_string": "La2 Mn2 Se2 O3\n1.0\n4.128398 -0.000000 0.000000\n-0.000000 4.128398 0.000000\n-2.064199 -2.064199 9.445407\nLa Mn Se O\n2 2 2 3\ndirect\n0.314102 0.314102 0.628202 La\n0.685899 0.685899 0.371798 La\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.901107 0.901107 0.802213 Se\n0.098893 0.098893 0.197787 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"La",
"Mn",
"Se",
"O"
],
"chemical_system": "La-Mn-O-Se",
"density": 6.122982551952806,
"density_atomic": 0.05590603797487404,
"volume": 160.98440036199466,
"volume_molar": 10.771896879379186,
"formula_full": "La2 Mn2 Se2 O3",
"formula_reduced": "La2Mn2Se2O3",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 2.6796157462324395,
"spacegroup": 139
},
{
"id": "jvasp-59250",
"created_at": "2022-09-04T14:38:05.969926Z",
"updated_at": "2022-09-04T14:38:05.969938Z",
"structure_string": "Ho4 Ti4 O14\n1.0\n7.154494 -0.000000 -0.000000\n3.577248 6.195973 -0.000000\n3.577248 2.065324 5.841620\nHo Ti O\n4 4 14\ndirect\n0.000001 0.499999 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 -0.000000 0.500000 Ho\n0.500000 0.499999 0.500000 Ho\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 -0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.668836 0.081164 0.081164 O\n0.918836 0.331164 0.331164 O\n0.918836 0.918835 0.331164 O\n0.625000 0.624999 0.625000 O\n0.331165 0.331163 0.918836 O\n0.331165 0.918835 0.331164 O\n0.375000 0.375000 0.375000 O\n0.081165 0.668835 0.668836 O\n0.081164 0.081164 0.668836 O\n0.081164 0.668836 0.081164 O\n0.918836 0.331163 0.918836 O\n0.668836 0.081164 0.668836 O\n0.668836 0.668836 0.081164 O\n0.331165 0.918835 0.918836 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"Ti",
"O"
],
"chemical_system": "Ho-O-Ti",
"density": 6.894597019270685,
"density_atomic": 0.08495734619585184,
"volume": 258.9534747152234,
"volume_molar": 7.088428522846256,
"formula_full": "Ho4 Ti4 O14",
"formula_reduced": "Ho2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.679653845454545,
"spacegroup": 227
},
{
"id": "jvasp-117142",
"created_at": "2022-09-04T14:38:48.293278Z",
"updated_at": "2022-09-04T14:38:48.293296Z",
"structure_string": "Nd2 Co1 Te2 S2 O14\n1.0\n5.087883 0.098491 -1.562930\n-0.464358 7.156925 -3.561888\n0.021696 -0.143160 8.188522\nNd Co Te S O\n2 1 2 2 14\ndirect\n0.070142 0.251416 0.985621 Nd\n0.929858 0.748583 0.014378 Nd\n0.000000 0.000000 0.500000 Co\n0.500816 0.265895 0.647095 Te\n0.499184 0.734104 0.352904 Te\n0.751596 0.250290 0.262650 S\n0.248404 0.749709 0.737349 S\n0.724304 0.811722 0.254143 O\n0.275696 0.188277 0.745856 O\n0.262000 0.561748 0.116059 O\n0.737999 0.438252 0.883941 O\n0.186454 0.918185 0.905242 O\n0.813546 0.081814 0.094758 O\n0.127132 0.765790 0.558175 O\n0.464143 0.263624 0.234499 O\n0.741171 0.069490 0.656043 O\n0.872868 0.234210 0.441824 O\n0.135469 0.584841 0.734291 O\n0.864531 0.415158 0.265708 O\n0.535857 0.736375 0.765501 O\n0.258829 0.930509 0.343956 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Nd",
"Co",
"Te",
"S",
"O"
],
"chemical_system": "Co-Nd-O-S-Te",
"density": 4.99555038574226,
"density_atomic": 0.07092562525551382,
"volume": 296.0848060816699,
"volume_molar": 8.49078275771962,
"formula_full": "Nd2 Co1 Te2 S2 O14",
"formula_reduced": "Nd2CoTe2(SO7)2",
"formula_anonymous": "AB2C2D2E14",
"energy_above_hull": 2.6796889730158733,
"spacegroup": 2
},
{
"id": "jvasp-111857",
"created_at": "2022-09-04T14:38:42.351178Z",
"updated_at": "2022-09-04T14:38:42.351208Z",
"structure_string": "Mg2 Cr3 Co1 S8\n1.0\n6.173723 -0.001164 3.551589\n2.053188 5.822326 3.551503\n-0.002052 -0.001446 7.122408\nMg Cr Co S\n2 3 1 8\ndirect\n0.874846 0.874849 0.874842 Mg\n0.125162 0.125154 0.125164 Mg\n0.499995 0.500005 0.999998 Cr\n0.999997 0.499996 0.500007 Cr\n0.500008 0.999999 0.499997 Cr\n0.500000 0.500000 0.499994 Co\n0.737287 0.737289 0.737287 S\n0.269652 0.269648 0.707331 S\n0.269649 0.707326 0.269655 S\n0.707329 0.269658 0.269640 S\n0.730336 0.292675 0.730347 S\n0.292674 0.730348 0.730342 S\n0.262717 0.262708 0.262721 S\n0.730353 0.730343 0.292674 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Cr",
"Co",
"S"
],
"chemical_system": "Co-Cr-Mg-S",
"density": 3.3720048977090746,
"density_atomic": 0.05466643914215344,
"volume": 256.0986268667454,
"volume_molar": 11.01615699595899,
"formula_full": "Mg2 Cr3 Co1 S8",
"formula_reduced": "Mg2Cr3CoS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.679716514285716,
"spacegroup": 166
},
{
"id": "jvasp-99034",
"created_at": "2022-09-04T14:36:32.192212Z",
"updated_at": "2022-09-04T14:36:32.192241Z",
"structure_string": "Li3 B3 Pt9\n1.0\n9.329298 0.000000 0.000000\n-4.664649 8.079409 -0.000000\n-0.000000 -0.000000 2.804317\nLi B Pt\n3 3 9\ndirect\n-0.000000 0.362137 0.000000 Li\n0.637863 0.637863 0.000000 Li\n0.362137 0.000000 0.000000 Li\n0.000000 0.000000 0.500001 B\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.681429 0.164917 0.500001 Pt\n0.483488 0.318571 0.500001 Pt\n0.835083 0.516512 0.500001 Pt\n0.164917 0.681429 0.500001 Pt\n0.318571 0.483488 0.500001 Pt\n0.516512 0.835083 0.500001 Pt\n-0.000000 0.822558 0.000000 Pt\n0.177442 0.177442 0.000000 Pt\n0.822558 0.000000 0.000000 Pt\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"B",
"Pt"
],
"chemical_system": "B-Li-Pt",
"density": 14.211335129203318,
"density_atomic": 0.07096359274994089,
"volume": 211.37599462947844,
"volume_molar": 8.486239952958154,
"formula_full": "Li3 B3 Pt9",
"formula_reduced": "LiBPt3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.679755356666667,
"spacegroup": 189
},
{
"id": "jvasp-43202",
"created_at": "2022-09-04T14:37:09.369137Z",
"updated_at": "2022-09-04T14:37:09.369157Z",
"structure_string": "Li3 Mn1 P2 H1 O8\n1.0\n5.033736 0.081895 0.022702\n-2.045691 4.633044 -0.021189\n0.002356 -0.058423 6.191428\nLi Mn P H O\n3 1 2 1 8\ndirect\n0.619723 0.223749 0.755876 Li\n0.000001 0.000000 0.500000 Li\n0.380278 0.776250 0.244124 Li\n0.000000 0.000000 0.000000 Mn\n0.638823 0.361965 0.248278 P\n0.361178 0.638034 0.751722 P\n0.000000 0.500000 0.500000 H\n0.754498 0.253429 0.050944 O\n0.781210 0.295781 0.458227 O\n0.309365 0.193651 0.265933 O\n0.275647 0.309024 0.757979 O\n0.724355 0.690975 0.242021 O\n0.690636 0.806347 0.734067 O\n0.218791 0.704218 0.541773 O\n0.245503 0.746570 0.949056 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0454124408631746,
"density_atomic": 0.10314452897231684,
"volume": 145.42700567303845,
"volume_molar": 5.838545989789041,
"formula_full": "Li3 Mn1 P2 H1 O8",
"formula_reduced": "Li3MnP2HO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.6798170827586207,
"spacegroup": 2
},
{
"id": "jvasp-44135",
"created_at": "2022-09-04T14:38:17.827000Z",
"updated_at": "2022-09-04T14:38:17.827009Z",
"structure_string": "Li4 Mn3 Fe2 Cu3 O16\n1.0\n-5.648288 -0.003003 0.001179\n2.821350 5.091525 0.094542\n-0.001772 -0.379694 -9.227918\nLi Mn Fe Cu O\n4 3 2 3 16\ndirect\n0.661686 0.323339 0.101479 Li\n0.991856 0.983686 0.001883 Li\n0.008787 0.017566 0.512594 Li\n0.344864 0.689718 0.600046 Li\n0.825636 0.651250 0.785461 Mn\n0.663144 0.832006 0.286393 Mn\n0.168880 0.832003 0.286392 Mn\n0.667868 0.335718 0.516561 Fe\n0.323617 0.647206 0.010098 Fe\n0.170992 0.341958 0.288379 Cu\n0.833007 0.171076 0.791366 Cu\n0.338093 0.171077 0.791365 Cu\n0.159713 0.319389 0.923638 O\n0.638285 0.784538 0.909080 O\n0.346576 0.693126 0.393000 O\n0.039903 0.530731 0.156809 O\n0.490865 0.530739 0.156808 O\n0.840364 0.680701 0.395263 O\n0.542900 0.511208 0.641799 O\n0.532549 0.065085 0.642509 O\n0.337558 0.161299 0.404057 O\n0.992882 0.985749 0.190962 O\n0.992800 0.985580 0.703949 O\n0.673053 0.346082 0.888299 O\n0.476074 0.952135 0.159033 O\n0.823745 0.161300 0.404054 O\n0.968326 0.511200 0.641805 O\n0.146273 0.784535 0.909082 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-Mn-O",
"density": 4.703518006251741,
"density_atomic": 0.10562133307722243,
"volume": 265.09796065088943,
"volume_molar": 5.701632979387848,
"formula_full": "Li4 Mn3 Fe2 Cu3 O16",
"formula_reduced": "Li4Mn3Fe2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.6798671455049257,
"spacegroup": 8
},
{
"id": "jvasp-42266",
"created_at": "2022-09-04T14:38:16.427530Z",
"updated_at": "2022-09-04T14:38:16.427565Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 6.412025 0.000065\n2.998142 0.000000 0.000000\n0.000000 -3.205970 -9.634645\nMn O F\n6 8 4\ndirect\n0.991598 0.000000 0.983167 Mn\n0.833311 0.500000 0.666666 Mn\n0.493883 0.500000 0.987733 Mn\n0.675095 0.000000 0.350168 Mn\n0.333309 0.000000 0.666668 Mn\n0.172806 0.500000 0.345605 Mn\n0.972328 0.000000 0.335962 O\n0.269768 0.500000 0.539586 O\n0.396861 0.500000 0.793750 O\n0.734056 0.500000 0.468105 O\n0.694361 0.000000 0.997368 O\n0.303040 0.000000 0.997377 O\n0.932619 0.500000 0.865226 O\n0.363657 0.000000 0.335971 O\n0.630118 0.000000 0.666656 F\n0.036492 0.000000 0.666656 F\n0.600503 0.500000 0.200965 F\n0.066206 0.500000 0.132372 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.7840660194478675,
"density_atomic": 0.09718312221088349,
"volume": 185.21734628921183,
"volume_molar": 6.196694058596098,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.679939587681992,
"spacegroup": 65
},
{
"id": "jvasp-74638",
"created_at": "2022-09-04T14:36:12.016639Z",
"updated_at": "2022-09-04T14:36:12.016665Z",
"structure_string": "Li1 Be2 Mo1\n1.0\n-1.870905 1.870905 3.086525\n1.870905 -1.870905 3.086525\n1.870905 1.870905 -3.086525\nLi Be Mo\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Mo"
],
"chemical_system": "Be-Li-Mo",
"density": 4.645809575239245,
"density_atomic": 0.09256072117996371,
"volume": 43.21487504643456,
"volume_molar": 6.506151511386011,
"formula_full": "Li1 Be2 Mo1",
"formula_reduced": "LiBe2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.680002025,
"spacegroup": 119
}
]
}