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=99",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=97",
"results": [
{
"id": "jvasp-105070",
"created_at": "2022-09-04T14:36:51.984184Z",
"updated_at": "2022-09-04T14:36:51.984210Z",
"structure_string": "Na2 Al1 Hg1 Br6\n1.0\n6.654774 -0.000000 3.842136\n2.218258 6.274181 3.842136\n-0.000000 -0.000000 7.684271\nNa Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.767789 0.232211 0.232212 Br\n0.232211 0.232211 0.767789 Br\n0.232211 0.767789 0.767789 Br\n0.232211 0.767789 0.232212 Br\n0.767789 0.232211 0.767790 Br\n0.767789 0.767789 0.232212 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Al",
"Hg",
"Br"
],
"chemical_system": "Al-Br-Hg-Na",
"density": 3.8970562287205954,
"density_atomic": 0.031167859174857628,
"volume": 320.8433387708182,
"volume_molar": 19.321637479862325,
"formula_full": "Na2 Al1 Hg1 Br6",
"formula_reduced": "Na2AlHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103822",
"created_at": "2022-09-04T14:36:51.910646Z",
"updated_at": "2022-09-04T14:36:51.910660Z",
"structure_string": "H6 C12 S2 O1\n1.0\n3.713485 0.020907 0.633659\n1.662439 6.003296 0.417887\n-0.094408 -0.084663 10.377345\nH C S O\n6 12 2 1\ndirect\n0.905085 0.855465 0.802186 H\n0.632589 0.737841 0.156351 H\n0.496091 0.799645 0.407333 H\n0.123427 0.122139 0.596054 H\n0.244417 0.137774 0.821809 H\n0.773816 0.841897 0.577033 H\n0.874941 0.687212 0.630654 C\n0.951642 0.695786 0.755901 C\n0.232165 0.353372 0.062940 C\n0.946104 0.480695 0.568769 C\n0.091926 0.498506 0.826099 C\n0.075520 0.283807 0.640768 C\n0.186128 0.530106 0.955911 C\n0.042569 0.422331 0.190479 C\n0.909813 0.481110 0.431268 C\n0.696930 0.653471 0.361399 C\n0.769097 0.620466 0.226511 C\n0.141955 0.291770 0.768255 C\n0.573000 0.121624 0.032045 S\n0.192006 0.271549 0.328167 S\n0.250811 0.706728 0.979834 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6528021063977416,
"density_atomic": 0.09075840573649456,
"volume": 231.38352673327933,
"volume_molar": 6.635353178728719,
"formula_full": "H6 C12 S2 O1",
"formula_reduced": "H6C12S2O",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 5.677163976190476,
"spacegroup": 1
},
{
"id": "jvasp-105097",
"created_at": "2022-09-04T14:36:52.022447Z",
"updated_at": "2022-09-04T14:36:52.022469Z",
"structure_string": "La2 Ti2 N2 O4\n1.0\n3.867068 0.000000 0.000000\n0.000000 5.634077 0.000000\n-0.000000 -0.000000 5.699307\nLa Ti N O\n2 2 2 4\ndirect\n-0.000000 0.250000 0.229472 La\n-0.000000 0.750000 0.770529 La\n0.500000 0.250000 0.728935 Ti\n0.500000 0.750000 0.271065 Ti\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.500000 0.000000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n-0.000000 0.750000 0.218939 O\n-0.000000 0.250000 0.781062 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Ti",
"N",
"O"
],
"chemical_system": "La-N-O-Ti",
"density": 6.2257880447793665,
"density_atomic": 0.08053290429619084,
"volume": 124.17284695484396,
"volume_molar": 7.477863629320076,
"formula_full": "La2 Ti2 N2 O4",
"formula_reduced": "LaTiNO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.7538267166666675,
"spacegroup": 51
},
{
"id": "jvasp-104638",
"created_at": "2022-09-04T14:36:51.750472Z",
"updated_at": "2022-09-04T14:36:51.750490Z",
"structure_string": "Ce1 Mg1 Ni4 H4\n1.0\n4.579371 0.000000 2.643901\n1.526457 4.317473 2.643901\n0.000000 0.000000 5.287802\nCe Mg Ni H\n1 1 4 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.749999 Mg\n0.382814 0.382813 0.382813 Ni\n0.382814 0.382813 0.851560 Ni\n0.382814 0.851560 0.382813 Ni\n0.851561 0.382813 0.382813 Ni\n0.163972 0.163972 0.163972 H\n0.163972 0.163972 0.508084 H\n0.163972 0.508084 0.163971 H\n0.508084 0.163972 0.163972 H\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ce",
"Mg",
"Ni",
"H"
],
"chemical_system": "Ce-H-Mg-Ni",
"density": 6.404531532327792,
"density_atomic": 0.09565096488946077,
"volume": 104.5467759949575,
"volume_molar": 6.295954010458231,
"formula_full": "Ce1 Mg1 Ni4 H4",
"formula_reduced": "CeMg(NiH)4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.874489415,
"spacegroup": 216
},
{
"id": "jvasp-99552",
"created_at": "2022-09-04T14:36:50.479856Z",
"updated_at": "2022-09-04T14:36:50.479888Z",
"structure_string": "Tb1 Zn1 Ag1 As2\n1.0\n4.249167 -0.000000 0.000000\n-2.124583 3.679887 0.000000\n-0.000000 -0.000000 6.878264\nTb Zn Ag As\n1 1 1 2\ndirect\n0.333334 0.666667 0.985130 Tb\n0.000000 0.000000 0.377758 Zn\n0.666667 0.333334 0.631038 Ag\n0.666667 0.333334 0.238837 As\n0.000000 0.000000 0.767235 As\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Tb",
"Zn",
"Ag",
"As"
],
"chemical_system": "Ag-As-Tb-Zn",
"density": 7.442523799522419,
"density_atomic": 0.04648928648978115,
"volume": 107.55166141556194,
"volume_molar": 12.953824880327495,
"formula_full": "Tb1 Zn1 Ag1 As2",
"formula_reduced": "TbZnAgAs2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7734719119999998,
"spacegroup": 156
},
{
"id": "jvasp-101489",
"created_at": "2022-09-04T14:36:51.775199Z",
"updated_at": "2022-09-04T14:36:51.775222Z",
"structure_string": "K2 Sc1 Hg1 Br6\n1.0\n6.858176 -0.000000 3.959570\n2.286059 6.465950 3.959570\n-0.000000 -0.000000 7.919139\nK Sc Hg Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.764110 0.235890 0.235890 Br\n0.235890 0.235890 0.764110 Br\n0.235890 0.764110 0.764110 Br\n0.235890 0.764110 0.235890 Br\n0.764110 0.235890 0.764110 Br\n0.764110 0.764110 0.235890 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-K-Sc",
"density": 3.79783205439052,
"density_atomic": 0.028476136492956074,
"volume": 351.1712342885287,
"volume_molar": 21.14802603748458,
"formula_full": "K2 Sc1 Hg1 Br6",
"formula_reduced": "K2ScHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107414",
"created_at": "2022-09-04T14:36:52.051808Z",
"updated_at": "2022-09-04T14:36:52.051822Z",
"structure_string": "Rb2 Sc1 Ag1 I6\n1.0\n7.182581 -0.000000 4.146865\n2.394194 6.771802 4.146865\n-0.000000 -0.000000 8.293730\nRb Sc Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.754515 0.245485 0.245485 I\n0.245485 0.245485 0.754515 I\n0.245485 0.754515 0.754515 I\n0.245485 0.754515 0.245485 I\n0.754515 0.245485 0.754514 I\n0.754515 0.754515 0.245485 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Ag",
"I"
],
"chemical_system": "Ag-I-Rb-Sc",
"density": 4.467029453826469,
"density_atomic": 0.02478936050719929,
"volume": 403.39886932927595,
"volume_molar": 24.29324773525747,
"formula_full": "Rb2 Sc1 Ag1 I6",
"formula_reduced": "Rb2ScAgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101920",
"created_at": "2022-09-04T14:36:53.350117Z",
"updated_at": "2022-09-04T14:36:53.350127Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n3.920133 0.237120 0.450905\n1.440848 4.475336 0.343462\n-0.030247 0.003762 13.198553\nZn H C O\n1 14 9 4\ndirect\n0.817327 0.804785 0.826163 Zn\n0.639420 0.161092 0.394211 H\n0.820101 0.705494 0.122721 H\n0.225849 0.696502 0.168876 H\n0.578199 0.675876 0.314093 H\n0.004266 0.637427 0.354260 H\n0.067410 0.118967 0.433154 H\n0.335023 0.616973 0.503892 H\n0.170800 0.236837 0.022802 H\n0.582931 0.217104 0.068923 H\n0.888291 0.202989 0.210542 H\n0.312113 0.171155 0.250212 H\n0.430126 0.081859 0.576025 H\n0.848339 0.052177 0.616101 H\n0.763567 0.580451 0.542406 H\n0.358131 0.580351 0.961402 C\n0.311529 0.375022 0.050846 C\n0.089312 0.550371 0.144303 C\n0.041614 0.337983 0.233358 C\n0.608400 0.450638 0.517277 C\n0.797364 0.290713 0.418223 C\n0.577607 0.218861 0.601394 C\n0.375310 0.344627 0.702202 C\n0.847548 0.506364 0.330556 C\n0.089759 0.825917 0.941444 O\n0.423675 0.174597 0.782812 O\n0.142684 0.619277 0.702320 O\n0.665606 0.498280 0.908442 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.8397770632596195,
"density_atomic": 0.12329322951282387,
"volume": 227.10087253483525,
"volume_molar": 4.884405075441414,
"formula_full": "Zn1 H14 C9 O4",
"formula_reduced": "ZnH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.493676228571429,
"spacegroup": 1
},
{
"id": "jvasp-107078",
"created_at": "2022-09-04T14:36:56.794407Z",
"updated_at": "2022-09-04T14:36:56.794425Z",
"structure_string": "Ca1 Cd1 C2 O6\n1.0\n4.566490 -0.026973 4.216934\n1.829049 4.184273 4.216934\n-0.041495 -0.026973 6.215597\nCa Cd C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.500000 0.500000 Cd\n0.247755 0.247756 0.247756 C\n0.752243 0.752245 0.752244 C\n0.990640 0.247181 0.507573 O\n0.507574 0.990640 0.247179 O\n0.247179 0.507574 0.990641 O\n0.009359 0.752820 0.492426 O\n0.492425 0.009360 0.752820 O\n0.752820 0.492427 0.009359 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Cd",
"C",
"O"
],
"chemical_system": "C-Ca-Cd-O",
"density": 3.767164078736551,
"density_atomic": 0.0832507385357252,
"volume": 120.11905450795156,
"volume_molar": 7.233738542049968,
"formula_full": "Ca1 Cd1 C2 O6",
"formula_reduced": "CaCd(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.705047117,
"spacegroup": 148
},
{
"id": "jvasp-107623",
"created_at": "2022-09-04T14:37:03.921280Z",
"updated_at": "2022-09-04T14:37:03.921299Z",
"structure_string": "Rb2 Y1 Cu1 Cl6\n1.0\n6.291040 -0.000000 3.632134\n2.097013 5.931249 3.632134\n-0.000000 -0.000000 7.264267\nRb Y Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.754707 0.245293 0.245292 Cl\n0.245292 0.245293 0.754708 Cl\n0.245292 0.754708 0.754707 Cl\n0.245292 0.754708 0.245292 Cl\n0.754707 0.245293 0.754707 Cl\n0.754707 0.754708 0.245292 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Rb-Y",
"density": 3.284270490925678,
"density_atomic": 0.036892628487741934,
"volume": 271.05685905038274,
"volume_molar": 16.32342559164885,
"formula_full": "Rb2 Y1 Cu1 Cl6",
"formula_reduced": "Rb2YCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-47895",
"created_at": "2022-09-04T14:36:50.255893Z",
"updated_at": "2022-09-04T14:36:50.255913Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n0.000000 5.663416 -0.000000\n2.706334 -2.831707 3.908007\n5.412668 0.000000 0.000000\nLi Co Si O\n2 2 2 8\ndirect\n-0.000000 0.500000 -0.000001 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.389789 0.279576 0.360211 Si\n0.610212 0.720425 0.639788 Si\n0.257695 0.015389 0.239749 O\n0.742306 0.984611 0.255138 O\n0.260609 0.506445 0.246777 O\n0.745837 0.506445 0.246777 O\n0.257695 0.015389 0.744861 O\n0.742306 0.984611 0.760250 O\n0.739392 0.493556 0.753223 O\n0.254164 0.493556 0.753223 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 4.378986389111072,
"density_atomic": 0.11686456583929822,
"volume": 119.79679126392817,
"volume_molar": 5.153093854197955,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4293690714285714,
"spacegroup": 74
},
{
"id": "jvasp-101874",
"created_at": "2022-09-04T14:36:50.075867Z",
"updated_at": "2022-09-04T14:36:50.075875Z",
"structure_string": "Sn1 H22 C12 O4\n1.0\n4.947819 0.056721 0.421284\n1.313480 6.991830 2.621098\n-0.005695 -0.316847 9.784166\nSn H C O\n1 22 12 4\ndirect\n0.326700 0.348552 0.120622 Sn\n0.503954 0.675095 0.616944 H\n0.086718 0.045245 0.223038 H\n0.387889 0.014009 0.324896 H\n0.560583 0.657181 0.032448 H\n0.196003 0.730239 0.065187 H\n0.339465 0.494147 0.725364 H\n0.427382 0.974845 0.151689 H\n0.387083 0.346116 0.525705 H\n0.707409 0.368078 0.578244 H\n0.670723 0.678703 0.365015 H\n0.315764 0.668402 0.904430 H\n0.277642 0.896813 0.711428 H\n0.381839 0.614017 0.309632 H\n0.877658 0.923920 0.887931 H\n0.691917 0.109090 0.751773 H\n0.242778 0.114239 0.874267 H\n0.079899 0.293637 0.728055 H\n0.114929 0.795168 0.444678 H\n0.882522 0.710072 0.754126 H\n0.724036 0.884761 0.600677 H\n0.078354 0.073718 0.573871 H\n0.963767 0.600639 0.538919 H\n0.038680 0.181608 0.826469 C\n0.064194 0.958843 0.675748 C\n0.902083 0.040599 0.789460 C\n0.087569 0.697840 0.552950 C\n0.925803 0.810451 0.649183 C\n0.575148 0.559281 0.368966 C\n0.871170 0.282328 0.926543 C\n0.367124 0.580552 0.613076 C\n0.769256 0.429250 0.299077 C\n0.303453 0.057367 0.216807 C\n0.352487 0.639265 0.018653 C\n0.512411 0.449755 0.526274 C\n0.021265 0.446940 0.281926 O\n-0.023104 0.393341 0.971334 O\n0.625575 0.255143 0.957992 O\n0.680207 0.302344 0.264949 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.6960801047400422,
"density_atomic": 0.11413613252347561,
"volume": 341.6972271421449,
"volume_molar": 5.276278972183819,
"formula_full": "Sn1 H22 C12 O4",
"formula_reduced": "SnH22(C3O)4",
"formula_anonymous": "AB4C12D22",
"energy_above_hull": 4.615010915384615,
"spacegroup": 1
}
]
}