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=-volume_molar&page=3861",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3859",
"results": [
{
"id": "jvasp-10460",
"created_at": "2022-09-04T14:36:31.019714Z",
"updated_at": "2022-09-04T14:36:31.019733Z",
"structure_string": "Na2 Li4 As2 O8\n1.0\n5.070476 0.000000 0.000000\n0.000000 5.219138 0.000000\n0.000000 0.000000 7.032663\nNa Li As O\n2 4 2 8\ndirect\n0.521301 0.786375 0.000000 Na\n0.021300 0.213626 0.500000 Na\n0.508074 0.321743 0.250213 Li\n0.008073 0.678257 0.750212 Li\n0.508074 0.321743 0.749787 Li\n0.008073 0.678257 0.249787 Li\n0.499128 0.810778 0.500000 As\n0.999129 0.189223 0.000000 As\n0.063348 0.863468 0.000000 O\n0.660591 0.229893 0.000000 O\n0.563348 0.136532 0.500000 O\n0.160590 0.770108 0.500000 O\n0.129794 0.329720 0.199914 O\n0.629794 0.670280 0.300086 O\n0.629794 0.670280 0.699913 O\n0.129794 0.329720 0.800086 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Li",
"As",
"O"
],
"chemical_system": "As-Li-Na-O",
"density": 3.1369553369547605,
"density_atomic": 0.08597113574549232,
"volume": 186.10897554460794,
"volume_molar": 7.004840296431418,
"formula_full": "Na2 Li4 As2 O8",
"formula_reduced": "NaLi2AsO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.59126809375,
"spacegroup": 31
},
{
"id": "jvasp-50020",
"created_at": "2022-09-04T14:37:14.518141Z",
"updated_at": "2022-09-04T14:37:14.518175Z",
"structure_string": "Ti6 N4 O6\n1.0\n3.839403 0.000000 -0.000000\n-1.919702 4.899759 -0.000000\n0.000000 -0.000000 9.893011\nTi N O\n6 4 6\ndirect\n0.199379 0.398757 0.250000 Ti\n0.143403 0.286806 0.946825 Ti\n0.143403 0.286806 0.553175 Ti\n0.800621 0.601243 0.750000 Ti\n0.856597 0.713194 0.053175 Ti\n0.856597 0.713194 0.446825 Ti\n0.307694 0.615388 0.423008 N\n0.307694 0.615388 0.076992 N\n0.692306 0.384612 0.576992 N\n0.692306 0.384612 0.923008 N\n0.248971 0.497941 0.750000 O\n0.044796 0.089590 0.118432 O\n0.044796 0.089590 0.381568 O\n0.955204 0.910410 0.881568 O\n0.751029 0.502059 0.250000 O\n0.955204 0.910410 0.618432 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Ti",
"density": 3.918947410172639,
"density_atomic": 0.0859712163810379,
"volume": 186.10880098619862,
"volume_molar": 7.004833726335718,
"formula_full": "Ti6 N4 O6",
"formula_reduced": "Ti3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.910889,
"spacegroup": 63
},
{
"id": "jvasp-18562",
"created_at": "2022-09-04T14:36:46.873074Z",
"updated_at": "2022-09-04T14:36:46.873096Z",
"structure_string": "Fe2 Co1 Ge1\n1.0\n3.496229 -0.000000 2.018548\n1.165410 3.296275 2.018548\n0.000000 0.000000 4.037097\nFe Co Ge\n2 1 1\ndirect\n0.750000 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Co\n0.500000 0.500001 0.500001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Ge"
],
"chemical_system": "Co-Fe-Ge",
"density": 8.682264496391236,
"density_atomic": 0.08597407253635289,
"volume": 46.52565456066604,
"volume_molar": 7.004601017886672,
"formula_full": "Fe2 Co1 Ge1",
"formula_reduced": "Fe2CoGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7364544625,
"spacegroup": 225
},
{
"id": "jvasp-62598",
"created_at": "2022-09-04T14:36:00.706227Z",
"updated_at": "2022-09-04T14:36:00.706248Z",
"structure_string": "Na6 B6 O6 F12\n1.0\n3.446562 5.898714 -0.020306\n-3.446562 5.898714 -0.020306\n0.000000 3.717398 8.568754\nNa B O F\n6 6 6 12\ndirect\n0.683691 0.131805 0.996892 Na\n0.868195 0.316309 0.503107 Na\n0.316308 0.868195 0.003107 Na\n0.131805 0.683691 0.496892 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 -0.000000 Na\n0.790695 0.209305 0.249999 B\n0.209305 0.790695 0.749999 B\n0.368930 0.420589 0.244231 B\n0.579411 0.631069 0.255768 B\n0.631070 0.579411 0.755768 B\n0.420589 0.368930 0.744231 B\n0.217612 0.580825 0.744113 O\n0.419175 0.782388 0.755885 O\n0.782388 0.419175 0.255886 O\n0.580825 0.217612 0.244113 O\n0.623340 0.376660 0.749999 O\n0.376660 0.623340 0.249999 O\n0.466168 0.282059 0.607761 F\n0.533832 0.717941 0.392238 F\n0.031584 0.875134 0.885710 F\n0.124866 0.968416 0.614288 F\n0.968416 0.124866 0.114288 F\n0.875134 0.031584 0.385710 F\n0.373501 0.195457 0.880006 F\n0.804543 0.626500 0.619993 F\n0.626499 0.804543 0.119993 F\n0.195457 0.373500 0.380006 F\n0.717941 0.533832 0.892238 F\n0.282058 0.466168 0.107761 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Na",
"B",
"O",
"F"
],
"chemical_system": "B-F-Na-O",
"density": 2.5069212306830013,
"density_atomic": 0.08597695087839886,
"volume": 348.9307272879492,
"volume_molar": 7.004366517390677,
"formula_full": "Na6 B6 O6 F12",
"formula_reduced": "NaBOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6800751296666667,
"spacegroup": 15
},
{
"id": "jvasp-108867",
"created_at": "2022-09-04T14:38:26.913054Z",
"updated_at": "2022-09-04T14:38:26.913078Z",
"structure_string": "Na2 Pd1 O6\n1.0\n5.918761 -0.281183 1.522579\n-3.029508 5.092433 1.522579\n0.293680 0.489042 3.883519\nNa Pd O\n2 1 6\ndirect\n0.669858 0.330142 0.500000 Na\n0.330142 0.669857 0.500001 Na\n-0.000000 -0.000000 0.500000 Pd\n0.782722 0.068008 0.225019 O\n0.068007 0.782722 0.225020 O\n0.400222 0.400222 -0.035622 O\n0.217277 0.931991 0.774982 O\n0.931992 0.217278 0.774981 O\n0.599777 0.599778 0.035622 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Pd",
"O"
],
"chemical_system": "Na-O-Pd",
"density": 3.9403493947301578,
"density_atomic": 0.08597727064286485,
"volume": 104.6788288661138,
"volume_molar": 7.0043404669298726,
"formula_full": "Na2 Pd1 O6",
"formula_reduced": "Na2PdO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.840072744444445,
"spacegroup": 12
},
{
"id": "jvasp-21089",
"created_at": "2022-09-04T14:36:52.719391Z",
"updated_at": "2022-09-04T14:36:52.719419Z",
"structure_string": "Cu2 Sb4 O12\n1.0\n0.000000 4.711928 0.001502\n4.711226 0.000000 0.000000\n0.000000 -4.709373 -9.431747\nCu Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.332440 0.499978 0.832437 Sb\n0.667563 -0.000022 0.667563 Sb\n0.332439 0.000022 0.332437 Sb\n0.667562 0.500023 0.167563 Sb\n0.308585 0.191666 0.500000 O\n0.691416 0.691666 -0.000000 O\n0.691417 0.808335 0.500000 O\n0.308585 0.308334 0.000000 O\n0.025807 0.697239 0.328910 O\n0.632035 0.197207 0.828915 O\n0.367967 0.697207 0.671085 O\n0.974194 0.302761 0.671091 O\n0.632034 0.302794 0.328915 O\n0.367967 0.802794 0.171085 O\n0.974194 0.197239 0.171090 O\n0.025808 0.802762 0.828910 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-O-Sb",
"density": 6.394340848170181,
"density_atomic": 0.08598385411679538,
"volume": 209.34162797064047,
"volume_molar": 7.003804169815279,
"formula_full": "Cu2 Sb4 O12",
"formula_reduced": "Cu(SbO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.125555961111112,
"spacegroup": 136
},
{
"id": "jvasp-35322",
"created_at": "2022-09-04T14:37:35.535013Z",
"updated_at": "2022-09-04T14:37:35.535037Z",
"structure_string": "Al2 Ni4\n1.0\n2.012607 -3.485939 0.000000\n2.012607 3.485939 -0.000000\n-0.000000 0.000000 4.972990\nAl Ni\n2 4\ndirect\n0.333334 0.666668 0.194587 Al\n0.666668 0.333334 0.805413 Al\n0.333334 0.666668 0.690496 Ni\n0.666668 0.333334 0.309504 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Ni"
],
"chemical_system": "Al-Ni",
"density": 6.8710753018545185,
"density_atomic": 0.08598543778204902,
"volume": 69.7792574506448,
"volume_molar": 7.003675174934364,
"formula_full": "Al2 Ni4",
"formula_reduced": "AlNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9432558666666668,
"spacegroup": 164
},
{
"id": "jvasp-48425",
"created_at": "2022-09-04T14:35:55.818028Z",
"updated_at": "2022-09-04T14:35:55.818051Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.712739 0.009248 -0.004433\n0.155331 5.654161 -0.012675\n0.320910 0.371333 7.855314\nMn O F\n6 4 8\ndirect\n0.492177 0.499455 0.007904 Mn\n0.565332 0.824695 0.658150 Mn\n0.489911 0.169482 0.336495 Mn\n0.964038 0.331852 0.679181 Mn\n0.013024 0.671052 0.335731 Mn\n0.986757 0.991028 0.980717 Mn\n0.307971 0.462338 0.233180 O\n0.698878 0.882217 0.429108 O\n0.805849 0.041384 0.765866 O\n0.692644 0.530367 0.782624 O\n0.195717 0.962367 0.212024 F\n0.797671 0.379691 0.431736 F\n0.800667 0.687650 0.099873 F\n0.700811 0.184766 0.103859 F\n0.279299 0.140037 0.569071 F\n0.313441 0.813229 0.885680 F\n0.192309 0.622433 0.579542 F\n0.203501 0.305952 0.909261 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.328028243707821,
"density_atomic": 0.08598619045053624,
"volume": 209.33593994206015,
"volume_molar": 7.003613869211069,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9839088726819925,
"spacegroup": 1
},
{
"id": "jvasp-117268",
"created_at": "2022-09-04T14:38:47.125318Z",
"updated_at": "2022-09-04T14:38:47.125345Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.348228 0.007231 -0.266467\n-0.278189 6.342134 -0.266467\n0.006913 0.007231 6.353814\nCa Sc Co O\n6 2 2 12\ndirect\n0.380221 0.749999 0.119778 Ca\n0.750000 0.119778 0.380221 Ca\n0.119778 0.380221 0.749999 Ca\n0.880221 0.619778 0.249999 Ca\n0.250000 0.880221 0.619778 Ca\n0.619778 0.250000 0.880220 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.749999 0.749999 Sc\n0.500000 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.791525 0.456830 0.587850 O\n0.543169 0.412148 0.208475 O\n0.412149 0.208475 0.543169 O\n0.456830 0.587851 0.791524 O\n0.043169 0.708475 0.912148 O\n0.087851 0.956830 0.291524 O\n0.956831 0.291524 0.087851 O\n0.708475 0.912148 0.043169 O\n0.912149 0.043169 0.708474 O\n0.291524 0.087851 0.956830 O\n0.208475 0.543169 0.412148 O\n0.587851 0.791524 0.456830 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 4.15533099674854,
"density_atomic": 0.08598784638576999,
"volume": 255.85011050632323,
"volume_molar": 7.003478995139242,
"formula_full": "Ca6 Sc2 Co2 O12",
"formula_reduced": "Ca3ScCoO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.8249207645454544,
"spacegroup": 167
},
{
"id": "jvasp-42168",
"created_at": "2022-09-04T14:38:16.412983Z",
"updated_at": "2022-09-04T14:38:16.413008Z",
"structure_string": "Li4 Mn2 C2 S2 O14\n1.0\n0.000000 4.816383 -0.036498\n6.387049 0.000000 0.000000\n0.000000 -1.197119 -9.063637\nLi Mn C S O\n4 2 2 2 14\ndirect\n0.783249 0.483267 0.167661 Li\n0.783249 0.016733 0.167661 Li\n0.216751 0.983267 0.832340 Li\n0.216751 0.516733 0.832340 Li\n0.255951 0.250000 0.366196 Mn\n0.744049 0.750000 0.633804 Mn\n0.272606 0.250000 0.070967 C\n0.727393 0.750000 0.929034 C\n0.234101 0.750000 0.396643 S\n0.765898 0.250000 0.603357 S\n0.518788 0.750000 0.820228 O\n0.873913 0.063256 0.687940 O\n0.873913 0.436744 0.687940 O\n0.149881 0.750000 0.546567 O\n0.453301 0.250000 0.586722 O\n0.546698 0.750000 0.413278 O\n0.021577 0.250000 0.107482 O\n0.126086 0.563256 0.312060 O\n0.126086 0.936745 0.312060 O\n0.481212 0.250000 0.179773 O\n0.978422 0.750000 0.892519 O\n0.677366 0.750000 0.063334 O\n0.850118 0.250000 0.453434 O\n0.322633 0.250000 0.936666 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Li-Mn-O-S",
"density": 2.6760485886052905,
"density_atomic": 0.08599100310373828,
"volume": 279.09896540044724,
"volume_molar": 7.003221898382764,
"formula_full": "Li4 Mn2 C2 S2 O14",
"formula_reduced": "Li2MnCSO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.950645145114943,
"spacegroup": 11
},
{
"id": "jvasp-21347",
"created_at": "2022-09-04T14:37:08.033075Z",
"updated_at": "2022-09-04T14:37:08.033109Z",
"structure_string": "Ca2 Cr2 Si4 O12\n1.0\n5.157354 -0.005868 1.056897\n1.237638 6.640718 0.594138\n-0.037810 -0.011614 6.781027\nCa Cr Si O\n2 2 4 12\ndirect\n0.750000 0.300762 0.699239 Ca\n0.250001 0.699238 0.300764 Ca\n0.249999 0.095273 0.904729 Cr\n0.749999 0.904730 0.095272 Cr\n0.274101 0.193518 0.379647 Si\n0.225898 0.620354 0.806483 Si\n0.774101 0.379647 0.193518 Si\n0.725899 0.806483 0.620354 Si\n0.639996 0.975460 0.789334 O\n0.860004 0.210665 0.024541 O\n0.672308 0.606531 0.116576 O\n0.827690 0.883426 0.393469 O\n0.327690 0.393468 0.883426 O\n0.982687 0.628063 0.675175 O\n0.017312 0.371937 0.324826 O\n0.482688 0.675175 0.628065 O\n0.360003 0.024541 0.210667 O\n0.517312 0.324827 0.371936 O\n0.172309 0.116574 0.606532 O\n0.139997 0.789335 0.975460 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Cr",
"Si",
"O"
],
"chemical_system": "Ca-Cr-O-Si",
"density": 3.4876654474850968,
"density_atomic": 0.08599362620931292,
"volume": 232.57537659034134,
"volume_molar": 7.0030082756852226,
"formula_full": "Ca2 Cr2 Si4 O12",
"formula_reduced": "CaCr(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.730865602,
"spacegroup": 15
},
{
"id": "jvasp-48674",
"created_at": "2022-09-04T14:35:59.713562Z",
"updated_at": "2022-09-04T14:35:59.713592Z",
"structure_string": "Na4 Fe2 O6\n1.0\n2.755452 5.044550 0.191249\n-2.755452 5.044550 -0.191249\n-1.782355 0.000000 4.895887\nNa Fe O\n4 2 6\ndirect\n0.587465 0.594452 0.491923 Na\n0.259221 0.251774 0.509745 Na\n0.748225 0.740780 0.009745 Na\n0.405548 0.412534 0.991923 Na\n0.951953 0.916964 0.510932 Fe\n0.083036 0.048047 0.010932 Fe\n0.286137 0.862388 0.770257 O\n0.137611 0.713863 0.270257 O\n0.955604 0.625584 0.669694 O\n0.753690 0.145303 0.745251 O\n0.374416 0.044397 0.169694 O\n0.854696 0.246311 0.245251 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.5656835864664447,
"density_atomic": 0.08599381646789404,
"volume": 139.54491721483512,
"volume_molar": 7.002992781752369,
"formula_full": "Na4 Fe2 O6",
"formula_reduced": "Na2FeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4373056666666666,
"spacegroup": 9
}
]
}