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=nelements&page=4009",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4007",
"results": [
{
"id": "jvasp-60633",
"created_at": "2022-09-04T14:36:12.636066Z",
"updated_at": "2022-09-04T14:36:12.636080Z",
"structure_string": "Zn4 H8 Se4 O16\n1.0\n0.000000 4.820000 0.002194\n12.844979 0.000000 0.000000\n0.000000 -4.514998 -5.719510\nZn H Se O\n4 8 4 16\ndirect\n0.289259 0.270037 0.619048 Zn\n0.710741 0.770037 0.880953 Zn\n0.710742 0.729963 0.380953 Zn\n0.289259 0.229963 0.119047 Zn\n0.756810 0.106393 0.945993 H\n0.243190 0.606393 0.554007 H\n0.243190 0.893607 0.054007 H\n0.756810 0.393607 0.445993 H\n0.911344 0.126852 0.210817 H\n0.088657 0.626852 0.289184 H\n0.088656 0.873148 0.789184 H\n0.911344 0.373148 0.710817 H\n0.133151 0.595409 0.887637 Se\n0.866849 0.095409 0.612364 Se\n0.866849 0.404591 0.112363 Se\n0.133151 0.904591 0.387637 Se\n0.021752 0.891408 0.890352 O\n-0.021752 0.391408 0.609648 O\n0.534040 0.374624 0.123594 O\n0.465961 0.874624 0.376407 O\n0.465960 0.625376 0.876407 O\n0.534040 0.125376 0.623594 O\n0.775744 0.330790 0.876855 O\n0.224256 0.830790 0.623146 O\n0.775744 0.169210 0.376855 O\n0.215686 0.177428 0.827572 O\n0.784314 0.677428 0.672429 O\n0.784314 0.822572 0.172429 O\n0.215686 0.322572 0.327572 O\n0.021752 0.608592 0.390352 O\n0.224256 0.669210 0.123146 O\n-0.021752 0.108592 0.109648 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"H",
"Se",
"O"
],
"chemical_system": "H-O-Se-Zn",
"density": 3.947621265711328,
"density_atomic": 0.09039966041848527,
"volume": 353.9836306006357,
"volume_molar": 6.661685156915223,
"formula_full": "Zn4 H8 Se4 O16",
"formula_reduced": "ZnH2SeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.988088470833333,
"spacegroup": 14
},
{
"id": "jvasp-43581",
"created_at": "2022-09-04T14:36:12.379466Z",
"updated_at": "2022-09-04T14:36:12.379491Z",
"structure_string": "Li4 Fe2 B4 O12\n1.0\n0.000000 5.356082 0.052129\n7.691359 0.000000 0.000000\n0.000000 -2.783538 -5.084594\nLi Fe B O\n4 2 4 12\ndirect\n0.609008 0.435872 0.800051 Li\n0.390990 0.935872 0.699948 Li\n0.609008 0.064128 0.300051 Li\n0.390991 0.564128 0.199948 Li\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.120888 0.258601 0.869182 B\n0.879110 0.758601 0.630817 B\n0.120888 0.241399 0.369182 B\n0.879111 0.741399 0.130817 B\n0.878271 0.264788 0.395323 O\n0.121728 0.764788 0.104677 O\n0.224105 0.081195 0.346475 O\n0.272760 0.394899 0.414897 O\n0.727238 0.605102 0.585102 O\n0.272760 0.105101 0.914896 O\n0.878271 0.235212 0.895322 O\n0.121728 0.735212 0.604676 O\n0.224104 0.418805 0.846475 O\n0.775894 0.581195 0.153524 O\n0.775894 0.918805 0.653524 O\n0.727239 0.894899 0.085103 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.986315586539296,
"density_atomic": 0.10559327373050069,
"volume": 208.3466041231875,
"volume_molar": 5.703148076808326,
"formula_full": "Li4 Fe2 B4 O12",
"formula_reduced": "Li2Fe(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.911670151515151,
"spacegroup": 14
},
{
"id": "jvasp-42423",
"created_at": "2022-09-04T14:36:12.636673Z",
"updated_at": "2022-09-04T14:36:12.636695Z",
"structure_string": "Li3 Fe3 O4 F4\n1.0\n0.000000 4.799137 -0.027131\n2.839401 0.000000 0.000000\n0.000000 -0.035897 -9.427323\nLi Fe O F\n3 3 4 4\ndirect\n0.019381 0.000000 0.141339 Li\n0.522477 0.000000 0.064232 Li\n0.060940 0.500000 0.525661 Li\n0.506859 0.000000 0.640801 Fe\n0.489614 0.500000 0.370112 Fe\n-0.004280 0.500000 0.840360 Fe\n0.783766 0.000000 0.778880 O\n0.686092 0.500000 0.537884 O\n0.271029 0.500000 0.704717 O\n0.288893 0.000000 0.450957 O\n0.778269 0.500000 0.030017 F\n0.728646 0.000000 0.279864 F\n0.212262 0.000000 0.946386 F\n0.281887 0.500000 0.188787 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.244215843273041,
"density_atomic": 0.10897839839737579,
"volume": 128.46582630945622,
"volume_molar": 5.525994920608976,
"formula_full": "Li3 Fe3 O4 F4",
"formula_reduced": "Li3Fe3(OF)4",
"formula_anonymous": "A3B3C4D4",
"energy_above_hull": 1.741590116428571,
"spacegroup": 6
},
{
"id": "jvasp-45671",
"created_at": "2022-09-04T14:36:34.385478Z",
"updated_at": "2022-09-04T14:36:34.385499Z",
"structure_string": "Pr2 Zn2 Bi4 O12\n1.0\n0.000000 6.508658 -0.000795\n5.703384 0.000000 0.000000\n0.000000 -0.000875 -8.557640\nPr Zn Bi O\n2 2 4 12\ndirect\n0.836843 0.036977 0.249996 Pr\n0.163158 0.536977 0.750005 Pr\n0.101457 0.527127 0.249995 Zn\n0.898544 0.027127 0.750006 Zn\n0.283634 0.008565 0.008064 Bi\n0.283628 0.008563 0.491929 Bi\n0.716373 0.508562 0.508071 Bi\n0.716367 0.508565 0.991936 Bi\n0.957023 0.810841 0.925850 O\n0.410844 0.658817 0.564937 O\n0.410846 0.658813 0.935059 O\n0.763705 0.628935 0.250005 O\n0.810080 0.350522 0.750004 O\n0.589155 0.158814 0.064941 O\n0.042976 0.310835 0.425840 O\n0.589157 0.158818 0.435064 O\n0.957025 0.810835 0.574161 O\n0.236297 0.128936 0.749995 O\n0.042978 0.310842 0.074151 O\n0.189922 0.850521 0.249997 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Pr-Zn",
"density": 7.530063832623938,
"density_atomic": 0.0629581434165872,
"volume": 317.6713752129279,
"volume_molar": 9.565308684775134,
"formula_full": "Pr2 Zn2 Bi4 O12",
"formula_reduced": "PrZn(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7787429850000005,
"spacegroup": 31
},
{
"id": "jvasp-91584",
"created_at": "2022-09-04T14:36:15.931072Z",
"updated_at": "2022-09-04T14:36:15.931101Z",
"structure_string": "Ga1 Si3 C3 N1\n1.0\n0.000000 -3.114638 0.000000\n-5.115212 0.000000 -0.021115\n0.001534 0.000000 -5.404853\nGa Si C N\n1 3 3 1\ndirect\n0.500000 0.509001 0.837281 Ga\n0.000000 0.008151 0.662689 Si\n0.000000 0.497601 0.334809 Si\n0.500000 0.001371 0.168873 Si\n0.500000 0.903937 0.830467 C\n0.500000 0.370617 0.184721 C\n0.000000 0.871649 0.335422 C\n0.000000 0.365774 0.645734 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ga",
"Si",
"C",
"N"
],
"chemical_system": "C-Ga-N-Si",
"density": 3.9342559550476133,
"density_atomic": 0.0929039920648398,
"volume": 86.11040087940052,
"volume_molar": 6.482111937447221,
"formula_full": "Ga1 Si3 C3 N1",
"formula_reduced": "GaSi3C3N",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 4.646362671875,
"spacegroup": 6
},
{
"id": "jvasp-100840",
"created_at": "2022-09-04T14:36:39.219573Z",
"updated_at": "2022-09-04T14:36:39.219582Z",
"structure_string": "Er1 B1 Pt1 Rh2\n1.0\n4.220624 -0.000000 0.000000\n0.000000 4.220624 0.000000\n-0.000000 0.000000 4.206128\nEr B Pt Rh\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 -0.000000 Pt\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Er",
"B",
"Pt",
"Rh"
],
"chemical_system": "B-Er-Pt-Rh",
"density": 12.831150367212636,
"density_atomic": 0.06673200767817,
"volume": 74.92656333844496,
"volume_molar": 9.024366221743422,
"formula_full": "Er1 B1 Pt1 Rh2",
"formula_reduced": "ErBPtRh2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.860613996666667,
"spacegroup": 123
},
{
"id": "jvasp-52840",
"created_at": "2022-09-04T14:36:38.453664Z",
"updated_at": "2022-09-04T14:36:38.453690Z",
"structure_string": "Rb2 Ca2 H12 N6\n1.0\n3.302325 5.890693 -1.182012\n-3.302325 5.890693 1.182012\n-0.087098 0.000000 6.616539\nRb Ca H N\n2 2 12 6\ndirect\n0.710905 0.710906 0.750000 Rb\n0.289094 0.289094 0.250000 Rb\n-0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.362724 0.652834 0.396257 H\n0.652834 0.362724 0.103743 H\n0.637276 0.347166 0.603743 H\n0.347166 0.637276 0.896257 H\n0.524833 0.206831 0.697161 H\n0.206831 0.524833 0.802839 H\n0.793168 0.475167 0.197161 H\n0.333061 0.098098 0.828247 H\n0.098098 0.333061 0.671753 H\n0.666938 0.901902 0.171753 H\n0.901902 0.666939 0.328247 H\n0.475166 0.793169 0.302839 H\n0.179351 0.672558 0.842697 N\n0.161027 0.161028 0.750000 N\n0.838972 0.838972 0.250000 N\n0.820648 0.327442 0.157303 N\n0.327442 0.820648 0.342697 N\n0.672558 0.179351 0.657303 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Ca",
"H",
"N"
],
"chemical_system": "Ca-H-N-Rb",
"density": 2.250436280907033,
"density_atomic": 0.08586708424750822,
"volume": 256.2099341417712,
"volume_molar": 7.013328579600346,
"formula_full": "Rb2 Ca2 H12 N6",
"formula_reduced": "RbCa(H2N)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 3.19765547,
"spacegroup": 15
},
{
"id": "jvasp-12629",
"created_at": "2022-09-04T14:36:34.522451Z",
"updated_at": "2022-09-04T14:36:34.522466Z",
"structure_string": "Ba1 Sr1 Fe4 O8\n1.0\n2.754992 -4.771786 -0.000000\n2.754992 4.771786 -0.000000\n0.000000 0.000000 8.106359\nBa Sr Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.769347 Fe\n0.666667 0.333333 0.230653 Fe\n0.333333 0.666667 0.230653 Fe\n0.333333 0.666667 0.769347 Fe\n0.334596 -0.000000 0.290550 O\n0.665403 0.665403 0.290550 O\n-0.000000 0.334596 0.290550 O\n0.665403 1.000000 0.709451 O\n1.000000 0.665403 0.709451 O\n0.334596 0.334596 0.709451 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Sr",
"density": 4.4901134774732165,
"density_atomic": 0.06568571115026592,
"volume": 213.13615632436253,
"volume_molar": 9.168113817361967,
"formula_full": "Ba1 Sr1 Fe4 O8",
"formula_reduced": "BaSr(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.712515877142857,
"spacegroup": 162
},
{
"id": "jvasp-101214",
"created_at": "2022-09-04T14:36:34.543779Z",
"updated_at": "2022-09-04T14:36:34.543799Z",
"structure_string": "Ce1 Al1 Cu2 Ni2\n1.0\n4.996271 -0.004821 0.000000\n-2.351099 4.408524 0.000000\n0.000000 -0.000000 4.097131\nCe Al Cu Ni\n1 1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.663227 0.336773 -0.000000 Ni\n0.336772 0.663227 -0.000000 Ni\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"Al",
"Cu",
"Ni"
],
"chemical_system": "Al-Ce-Cu-Ni",
"density": 7.577117038781254,
"density_atomic": 0.06652053740531139,
"volume": 90.19770786639684,
"volume_molar": 9.053054883346684,
"formula_full": "Ce1 Al1 Cu2 Ni2",
"formula_reduced": "CeAl(CuNi)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.8741956666666668,
"spacegroup": 65
},
{
"id": "jvasp-100631",
"created_at": "2022-09-04T14:36:39.051869Z",
"updated_at": "2022-09-04T14:36:39.051881Z",
"structure_string": "Zn1 In1 Ga1 O4\n1.0\n3.290529 0.003233 8.283759\n1.587662 2.882173 8.283759\n0.005466 0.003233 8.913373\nZn In Ga O\n1 1 1 4\ndirect\n0.219054 0.219053 0.219054 Zn\n0.003131 0.003131 0.003131 In\n0.787006 0.787001 0.787004 Ga\n0.295275 0.295273 0.295274 O\n0.711239 0.711235 0.711238 O\n0.120831 0.120830 0.120831 O\n0.863473 0.863468 0.863471 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Zn",
"In",
"Ga",
"O"
],
"chemical_system": "Ga-In-O-Zn",
"density": 6.18328082640887,
"density_atomic": 0.08302535600105897,
"volume": 84.31159271284204,
"volume_molar": 7.253375414521786,
"formula_full": "Zn1 In1 Ga1 O4",
"formula_reduced": "ZnInGaO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.9064052421428574,
"spacegroup": 160
},
{
"id": "jvasp-100343",
"created_at": "2022-09-04T14:36:38.470859Z",
"updated_at": "2022-09-04T14:36:38.470869Z",
"structure_string": "Sr1 Nd1 Al1 O4\n1.0\n3.612935 0.005783 -5.719809\n-0.297677 3.600655 -5.719809\n-0.005316 -0.005783 6.765314\nSr Nd Al O\n1 1 1 4\ndirect\n0.643772 0.643774 -0.000001 Sr\n0.359447 0.359448 -0.000001 Nd\n0.004276 0.004276 -0.000000 Al\n0.838927 0.838929 -0.000001 O\n0.165409 0.165409 -0.000000 O\n0.994080 0.494082 0.499998 O\n0.494080 0.994083 0.499999 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"Al",
"O"
],
"chemical_system": "Al-Nd-O-Sr",
"density": 6.107029714958324,
"density_atomic": 0.07974254743005617,
"volume": 87.78249787091194,
"volume_molar": 7.551979406329029,
"formula_full": "Sr1 Nd1 Al1 O4",
"formula_reduced": "SrNdAlO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5326949442857143,
"spacegroup": 107
},
{
"id": "jvasp-100473",
"created_at": "2022-09-04T14:36:39.065615Z",
"updated_at": "2022-09-04T14:36:39.065640Z",
"structure_string": "K2 Cu1 Bi1 Br6\n1.0\n6.698416 0.000000 3.867332\n2.232805 6.315327 3.867332\n0.000000 0.000000 7.734665\nK Cu Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Bi\n0.738815 0.261186 0.261185 Br\n0.261186 0.261186 0.738813 Br\n0.261186 0.738815 0.738813 Br\n0.261186 0.738815 0.261185 Br\n0.738815 0.261186 0.738813 Br\n0.738815 0.738815 0.261185 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Cu-K",
"density": 4.213030793721685,
"density_atomic": 0.03056261659052475,
"volume": 327.19711580913116,
"volume_molar": 19.70427087668609,
"formula_full": "K2 Cu1 Bi1 Br6",
"formula_reduced": "K2CuBiBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}