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=-density&page=3512",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3510",
"results": [
{
"id": "jvasp-65605",
"created_at": "2022-09-04T14:36:04.774798Z",
"updated_at": "2022-09-04T14:36:04.774817Z",
"structure_string": "Ba1 Sr2 Te1\n1.0\n4.172251 0.000000 -0.000000\n0.000000 4.172251 0.000000\n0.000000 0.000000 10.707400\nBa Sr Te\n1 2 1\ndirect\n0.500000 0.500000 0.683953 Ba\n0.000000 0.000000 0.012515 Sr\n0.500000 0.500000 0.316391 Sr\n0.000000 0.000000 0.487142 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Te"
],
"chemical_system": "Ba-Sr-Te",
"density": 3.9214049730066214,
"density_atomic": 0.021460266428488098,
"volume": 186.3909757751225,
"volume_molar": 28.06181731278845,
"formula_full": "Ba1 Sr2 Te1",
"formula_reduced": "BaSr2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-43437",
"created_at": "2022-09-04T14:36:11.461464Z",
"updated_at": "2022-09-04T14:36:11.461500Z",
"structure_string": "Li4 Fe4 F12\n1.0\n4.925654 -0.000000 0.000000\n-0.000000 5.265162 0.000000\n0.000000 0.000000 7.823132\nLi Fe F\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.042693 0.923801 0.750000 Fe\n0.457306 0.423802 0.750000 Fe\n0.542693 0.576198 0.250000 Fe\n0.957306 0.076198 0.250000 Fe\n0.802232 0.797911 0.083665 F\n0.697767 0.297911 0.416335 F\n0.697767 0.297911 0.083665 F\n0.662666 0.075285 0.750000 F\n0.337334 0.924715 0.250000 F\n0.197767 0.202089 0.583665 F\n0.302232 0.702088 0.916335 F\n0.197767 0.202089 0.916335 F\n0.802232 0.797911 0.416335 F\n0.162666 0.424715 0.250000 F\n0.302232 0.702088 0.583665 F\n0.837333 0.575285 0.750000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.921403075066878,
"density_atomic": 0.09857656881981641,
"volume": 202.8879706348583,
"volume_molar": 6.109099588369316,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2999052695,
"spacegroup": 62
},
{
"id": "jvasp-10142",
"created_at": "2022-09-04T14:37:02.129474Z",
"updated_at": "2022-09-04T14:37:02.129497Z",
"structure_string": "Ge4 F8\n1.0\n4.556157 0.000000 0.000000\n0.000000 5.193132 0.000000\n0.000000 0.000000 7.920541\nGe F\n4 8\ndirect\n0.244455 0.989705 0.623711 Ge\n0.744456 0.510294 0.376289 Ge\n0.755545 0.489706 0.876289 Ge\n0.255545 0.010294 0.123711 Ge\n0.424302 0.774851 0.794716 F\n0.924303 0.725148 0.205284 F\n0.575698 0.274852 0.705284 F\n0.075698 0.225148 0.294716 F\n0.962147 0.104960 0.961935 F\n0.462147 0.395040 0.038065 F\n0.037854 0.604960 0.538065 F\n0.537854 0.895040 0.461935 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ge",
"F"
],
"chemical_system": "F-Ge",
"density": 3.921261729762038,
"density_atomic": 0.06403219019955922,
"volume": 187.40574018476423,
"volume_molar": 9.404864555205322,
"formula_full": "Ge4 F8",
"formula_reduced": "GeF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 19
},
{
"id": "jvasp-10248",
"created_at": "2022-09-04T14:37:27.750859Z",
"updated_at": "2022-09-04T14:37:27.750880Z",
"structure_string": "Rb4 Li4 Ge2 O8\n1.0\n5.634077 -0.007477 0.020180\n0.485421 5.725029 -0.002865\n2.421459 0.807526 8.448091\nRb Li Ge O\n4 4 2 8\ndirect\n0.470895 0.848848 0.729184 Rb\n0.529105 0.151152 0.270815 Rb\n0.784684 0.722627 0.022560 Rb\n0.215316 0.277374 0.977440 Rb\n0.072694 0.817505 0.560805 Li\n0.927307 0.182495 0.439194 Li\n0.305420 0.410771 0.579565 Li\n0.694580 0.589229 0.420434 Li\n0.855491 0.315065 0.725042 Ge\n0.144509 0.684936 0.274957 Ge\n0.015256 0.574295 0.722546 O\n0.984745 0.425705 0.277453 O\n0.897526 0.867056 0.393934 O\n0.102474 0.132945 0.606065 O\n0.270884 0.797961 0.077144 O\n0.729117 0.202039 0.922855 O\n0.369717 0.640912 0.388745 O\n0.630284 0.359088 0.611254 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Rb",
"density": 3.9210662334841695,
"density_atomic": 0.0661115188553068,
"volume": 272.26722833875914,
"volume_molar": 9.109064296617047,
"formula_full": "Rb4 Li4 Ge2 O8",
"formula_reduced": "Rb2Li2GeO4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.086556661111111,
"spacegroup": 2
},
{
"id": "jvasp-88406",
"created_at": "2022-09-04T14:36:09.131832Z",
"updated_at": "2022-09-04T14:36:09.131855Z",
"structure_string": "V4 P2 O10\n1.0\n5.022439 -0.000000 -1.996395\n-0.793557 4.959350 -1.996395\n-0.022460 -0.026340 7.259304\nV P O\n4 2 10\ndirect\n-0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000001 V\n0.500000 0.500000 0.500000 V\n0.875000 0.125000 0.750000 P\n0.124999 0.875000 0.250000 P\n0.375000 0.625000 0.750000 O\n0.625000 0.375000 0.250001 O\n0.192995 0.703618 0.385992 O\n0.817625 0.807004 0.114010 O\n0.296382 0.807004 0.114009 O\n0.807004 0.296382 0.614009 O\n0.192996 0.182375 0.385991 O\n0.703618 0.192996 0.885991 O\n0.182375 0.192996 0.885991 O\n0.807004 0.817625 0.614009 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.920997377106409,
"density_atomic": 0.08874749653778043,
"volume": 180.28677567472215,
"volume_molar": 6.785702126748255,
"formula_full": "V4 P2 O10",
"formula_reduced": "V2PO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.168135175,
"spacegroup": 141
},
{
"id": "jvasp-16166",
"created_at": "2022-09-04T14:36:55.366724Z",
"updated_at": "2022-09-04T14:36:55.366749Z",
"structure_string": "Ba3 Al2 Si2\n1.0\n4.223592 0.000000 -0.878190\n-0.261835 4.954365 -1.259275\n-0.007769 0.039503 10.558266\nBa Al Si\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Ba\n0.814141 0.814187 0.628281 Ba\n0.185859 0.185812 0.371719 Ba\n0.065583 0.565547 0.131165 Al\n0.934417 0.434451 0.868835 Al\n0.634360 0.634293 0.268719 Si\n0.365640 0.365706 0.731281 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.9209248074174194,
"density_atomic": 0.031657106828062435,
"volume": 221.1193852305812,
"volume_molar": 19.023029466046072,
"formula_full": "Ba3 Al2 Si2",
"formula_reduced": "Ba3(AlSi)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.3868758157142855,
"spacegroup": 71
},
{
"id": "jvasp-50816",
"created_at": "2022-09-04T14:36:13.593376Z",
"updated_at": "2022-09-04T14:36:13.593406Z",
"structure_string": "Nb4 O4 F12\n1.0\n8.463373 0.000000 0.000000\n0.000000 8.463373 -0.000000\n0.000000 -0.000000 3.923874\nNb O F\n4 4 12\ndirect\n0.645686 0.145686 0.793997 Nb\n0.145686 0.354314 0.206002 Nb\n0.854314 0.645686 0.206002 Nb\n0.354314 0.854314 0.793997 Nb\n0.629031 0.129031 0.256923 O\n0.129031 0.370969 0.743076 O\n0.870969 0.629031 0.743076 O\n0.370969 0.870969 0.256923 O\n0.877582 0.865775 0.249113 F\n0.377582 0.634224 0.750886 F\n0.634224 0.622418 0.249113 F\n0.103080 0.603080 0.247156 F\n0.896920 0.396920 0.247156 F\n0.865775 0.122418 0.750886 F\n0.622418 0.365775 0.750886 F\n0.122418 0.134224 0.249113 F\n0.134224 0.877582 0.750886 F\n0.396920 0.103080 0.752843 F\n0.365775 0.377582 0.249113 F\n0.603080 0.896920 0.752843 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 3.9206317164152322,
"density_atomic": 0.07115869570597261,
"volume": 281.0619250616946,
"volume_molar": 8.462972374990482,
"formula_full": "Nb4 O4 F12",
"formula_reduced": "NbOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9937767494999996,
"spacegroup": 113
},
{
"id": "jvasp-36487",
"created_at": "2022-09-04T14:36:52.016166Z",
"updated_at": "2022-09-04T14:36:52.016182Z",
"structure_string": "Ba3 As1 P1\n1.0\n6.030838 -0.000000 0.000000\n-0.000000 6.030838 -0.000000\n0.000000 -0.000000 6.030838\nBa As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"As",
"P"
],
"chemical_system": "As-Ba-P",
"density": 3.9205066788843475,
"density_atomic": 0.022794864577079032,
"volume": 219.34765100678248,
"volume_molar": 26.418848594763997,
"formula_full": "Ba3 As1 P1",
"formula_reduced": "Ba3AsP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8214690320000002,
"spacegroup": 221
},
{
"id": "jvasp-112263",
"created_at": "2022-09-04T14:38:26.170285Z",
"updated_at": "2022-09-04T14:38:26.170312Z",
"structure_string": "Rb8 Ti2 O8\n1.0\n6.545979 0.023647 1.243030\n2.356459 5.934056 2.077656\n0.055750 -0.004123 9.918572\nRb Ti O\n8 2 8\ndirect\n0.240283 0.764571 0.035695 Rb\n0.280937 0.507637 0.438484 Rb\n0.252413 0.407927 0.841169 Rb\n0.211098 0.970814 0.625929 Rb\n0.788902 0.029188 0.374071 Rb\n0.747586 0.592075 0.158831 Rb\n0.719063 0.492365 0.561516 Rb\n0.759717 0.235431 0.964305 Rb\n0.730283 0.842499 0.751909 Ti\n0.269717 0.157503 0.248091 Ti\n0.126767 0.165558 0.103172 O\n0.049034 0.295748 0.370963 O\n0.449287 0.323816 0.187726 O\n0.564961 0.132869 0.654547 O\n0.435039 0.867133 0.345453 O\n0.550713 0.676185 0.812274 O\n0.950966 0.704253 0.629037 O\n0.873233 0.834444 0.896828 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Ti",
"O"
],
"chemical_system": "O-Rb-Ti",
"density": 3.920503449665207,
"density_atomic": 0.046830867806546564,
"volume": 384.36187162612754,
"volume_molar": 12.859340520608832,
"formula_full": "Rb8 Ti2 O8",
"formula_reduced": "Rb4TiO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.028400259259259,
"spacegroup": 2
},
{
"id": "jvasp-31147",
"created_at": "2022-09-04T14:38:30.292631Z",
"updated_at": "2022-09-04T14:38:30.292655Z",
"structure_string": "Na2 Y2 F8\n1.0\n7.691373 0.000000 -0.000000\n7.691373 6.614478 -0.031641\n3.845687 4.394734 3.107595\nNa Y F\n2 2 8\ndirect\n0.499997 -0.000000 0.000000 Na\n0.250002 0.500000 0.000000 Na\n-0.000005 0.000000 -0.000000 Y\n0.750005 0.500000 0.000000 Y\n0.374977 0.982828 0.767180 F\n0.107801 0.517171 0.732841 F\n0.375023 0.517170 0.232822 F\n0.875017 0.017171 0.732841 F\n0.107816 0.017170 0.232822 F\n0.874984 0.482827 0.267160 F\n0.642185 0.482828 0.767180 F\n0.642199 0.982827 0.267161 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Y",
"F"
],
"chemical_system": "F-Na-Y",
"density": 3.9203879483901303,
"density_atomic": 0.0753927017716037,
"volume": 159.16659992306765,
"volume_molar": 7.987697241894322,
"formula_full": "Na2 Y2 F8",
"formula_reduced": "NaYF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0023616666666667,
"spacegroup": 141
},
{
"id": "jvasp-97637",
"created_at": "2022-09-04T14:36:04.838967Z",
"updated_at": "2022-09-04T14:36:04.838993Z",
"structure_string": "B2 Te6 O6 F30\n1.0\n9.063353 0.000000 0.000000\n-4.531677 7.849094 -0.000000\n0.000000 0.000000 8.652403\nB Te O F\n2 6 6 30\ndirect\n0.666667 0.333333 0.750000 B\n0.333332 0.666667 0.250000 B\n0.649881 0.009926 0.250000 Te\n0.639954 0.649881 0.750000 Te\n0.009926 0.360045 0.750000 Te\n0.360045 0.350119 0.250000 Te\n0.350119 -0.009926 0.750000 Te\n-0.009927 0.639955 0.250000 Te\n0.430315 0.588473 0.250000 O\n0.841841 0.430315 0.750000 O\n0.569684 0.411526 0.750000 O\n0.411526 0.841841 0.250000 O\n0.588473 0.158158 0.750000 O\n0.158158 0.569684 0.250000 O\n0.802965 0.700019 0.904466 F\n0.299980 0.102946 0.904466 F\n0.197034 0.299980 0.404466 F\n0.102945 0.802965 0.095534 F\n0.102945 0.802965 0.404466 F\n0.878599 0.180904 0.250000 F\n0.474915 0.605909 0.900553 F\n0.180904 0.302305 0.750000 F\n0.700019 0.897054 0.404466 F\n0.869006 0.474916 0.099447 F\n0.869006 0.474916 0.400553 F\n0.802965 0.700019 0.595533 F\n0.394090 0.869006 0.599447 F\n0.299980 0.102946 0.595533 F\n0.819095 0.697695 0.250000 F\n0.525084 0.394090 0.400553 F\n0.302305 0.121401 0.250000 F\n0.121400 0.819096 0.750000 F\n0.474915 0.605909 0.599447 F\n0.605909 0.130994 0.400553 F\n0.525084 0.394090 0.099447 F\n0.130993 0.525084 0.599447 F\n0.700019 0.897054 0.095534 F\n0.394090 0.869006 0.900553 F\n0.605909 0.130994 0.099447 F\n0.130993 0.525084 0.900553 F\n0.897054 0.197035 0.595533 F\n0.197034 0.299980 0.095534 F\n0.697694 0.878599 0.750000 F\n0.897054 0.197035 0.904466 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"B",
"Te",
"O",
"F"
],
"chemical_system": "B-F-O-Te",
"density": 3.9203108498391224,
"density_atomic": 0.07148378037460397,
"volume": 615.5242457718684,
"volume_molar": 8.42448556643415,
"formula_full": "B2 Te6 O6 F30",
"formula_reduced": "BTe3(OF5)3",
"formula_anonymous": "AB3C3D15",
"energy_above_hull": 0.6155736645833338,
"spacegroup": 176
},
{
"id": "jvasp-120081",
"created_at": "2022-09-04T14:38:52.789549Z",
"updated_at": "2022-09-04T14:38:52.789572Z",
"structure_string": "In1 Ge1 Cl2\n1.0\n3.908349 -0.000000 -0.000000\n0.000000 3.908349 0.000000\n0.000000 0.000000 7.164330\nIn Ge Cl\n1 1 2\ndirect\n0.500000 0.500000 0.603056 In\n0.000000 0.000000 0.009894 Ge\n0.000000 0.000000 0.351136 Cl\n0.500000 0.500000 0.045913 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-In",
"density": 3.9202958258221856,
"density_atomic": 0.0365508713165925,
"volume": 109.43651562648726,
"volume_molar": 16.476052534666145,
"formula_full": "In1 Ge1 Cl2",
"formula_reduced": "InGeCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0594263266666665,
"spacegroup": 99
}
]
}