HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=38",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=36",
"results": [
{
"id": "mp-560370",
"created_at": "2022-09-04T14:46:14.322161Z",
"structure_string": "Ge4 Pb8 S16\n1.0\n9.407180 0.000000 0.000000\n0.000000 8.183824 0.000000\n0.000000 4.476208 9.971890\nGe Pb S\n4 8 16\ndirect\n0.808543 0.283668 0.006754 Ge\n0.308543 0.716332 0.493246 Ge\n0.191457 0.716332 0.993246 Ge\n0.691457 0.283668 0.506754 Ge\n0.545971 0.592567 0.151935 Pb\n0.324450 0.033429 0.662507 Pb\n0.824450 0.966571 0.837493 Pb\n0.675550 0.966571 0.337493 Pb\n0.454029 0.407433 0.848065 Pb\n0.954029 0.592567 0.651935 Pb\n0.045971 0.407433 0.348065 Pb\n0.175550 0.033429 0.162507 Pb\n0.204330 0.447666 0.593949 S\n0.087324 0.782180 0.795326 S\n0.025337 0.751807 0.128660 S\n0.866438 0.084015 0.555745 S\n0.704330 0.552334 0.906051 S\n0.795670 0.552334 0.406051 S\n0.587324 0.217820 0.704674 S\n0.295670 0.447666 0.093949 S\n0.525337 0.248193 0.371340 S\n0.974663 0.248193 0.871340 S\n0.412676 0.782180 0.295326 S\n0.366438 0.915985 0.944255 S\n0.633562 0.084015 0.055745 S\n0.912676 0.217820 0.204674 S\n0.474663 0.751807 0.628660 S\n0.133562 0.915985 0.444255 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"S"
],
"chemical_system": "Ge-Pb-S",
"density": 5.323567802722376,
"density_atomic": 0.036472439891327715,
"volume": 767.7029582728228,
"volume_molar": 16.51148313066909,
"formula_full": "Ge4 Pb8 S16",
"formula_reduced": "Ge(PbS2)2",
"formula_anonymous": "AB2C4",
"energy": -135.49782667,
"energy_per_atom": -4.839208095357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.44982667,
"band_gap": 2.0309,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035417,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.339000Z",
"spacegroup": 14
},
{
"id": "mp-1028370",
"created_at": "2022-09-04T14:46:14.328604Z",
"structure_string": "Ba1 Mg14 Ni1\n1.0\n6.612960 0.240187 0.000000\n-3.098472 5.366710 0.000000\n0.000000 0.000000 10.504004\nBa Mg Ni\n1 14 1\ndirect\n0.123353 0.811676 0.125000 Ba\n0.156829 0.328414 0.625000 Mg\n0.167325 0.833662 0.625000 Mg\n0.616079 0.319989 0.125000 Mg\n0.662530 0.326436 0.625000 Mg\n0.616079 0.796088 0.125000 Mg\n0.662530 0.836093 0.625000 Mg\n0.348225 0.180857 0.383193 Mg\n0.348225 0.180857 0.866807 Mg\n0.348225 0.667369 0.383193 Mg\n0.348225 0.667369 0.866807 Mg\n0.870550 0.185275 0.341451 Mg\n0.870550 0.185275 0.908549 Mg\n0.828056 0.664028 0.396414 Mg\n0.828056 0.664028 0.853586 Mg\n0.205165 0.352582 0.125000 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ni"
],
"chemical_system": "Ba-Mg-Ni",
"density": 2.3397925159194854,
"density_atomic": 0.04203859665563606,
"volume": 380.60261932780054,
"volume_molar": 14.325265920104446,
"formula_full": "Ba1 Mg14 Ni1",
"formula_reduced": "BaMg14Ni",
"formula_anonymous": "ABC14",
"energy": -28.7672917,
"energy_per_atom": -1.79795573125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.7672917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.734000Z",
"spacegroup": 38
},
{
"id": "mp-1036060",
"created_at": "2022-09-04T14:46:14.331580Z",
"structure_string": "Y1 Mg14 Fe1 O16\n1.0\n8.719315 0.000000 0.000000\n0.000000 8.719315 0.000000\n0.000000 0.000000 4.344912\nY Mg Fe O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.264069 0.000000 0.500000 Mg\n0.735931 0.000000 0.500000 Mg\n0.251433 0.500000 0.500000 Mg\n0.748567 0.500000 0.500000 Mg\n0.000000 0.264069 0.500000 Mg\n0.500000 0.251433 0.500000 Mg\n0.000000 0.735931 0.500000 Mg\n0.500000 0.748567 0.500000 Mg\n0.259189 0.259189 0.000000 Mg\n0.740811 0.259189 0.000000 Mg\n0.259189 0.740811 0.000000 Mg\n0.740811 0.740811 0.000000 Mg\n0.500000 0.500000 0.000000 Fe\n0.000000 0.258248 0.000000 O\n0.500000 0.241191 0.000000 O\n0.000000 0.741752 0.000000 O\n0.500000 0.758809 0.000000 O\n0.250247 0.250247 0.500000 O\n0.749753 0.250247 0.500000 O\n0.250247 0.749753 0.500000 O\n0.749753 0.749753 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.258248 0.000000 0.000000 O\n0.741752 0.000000 0.000000 O\n0.241191 0.500000 0.000000 O\n0.758809 0.500000 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O-Y",
"density": 3.7250163124695974,
"density_atomic": 0.09687333659127156,
"volume": 330.32825260282453,
"volume_molar": 6.216510106809517,
"formula_full": "Y1 Mg14 Fe1 O16",
"formula_reduced": "YMg14FeO16",
"formula_anonymous": "ABC14D16",
"energy": -208.95011045,
"energy_per_atom": -6.5296909515625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.70211045,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7886444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.041000Z",
"spacegroup": 123
},
{
"id": "mp-21424",
"created_at": "2022-09-04T14:46:14.334624Z",
"structure_string": "Tb4 Ni4 Ge4\n1.0\n4.240061 0.000000 0.000000\n0.000000 6.977814 0.000000\n0.000000 0.000000 7.304618\nTb Ni Ge\n4 4 4\ndirect\n0.250000 0.492187 0.206274 Tb\n0.250000 0.992187 0.293726 Tb\n0.750000 0.007813 0.706274 Tb\n0.750000 0.507813 0.793726 Tb\n0.750000 0.806591 0.083392 Ni\n0.250000 0.193409 0.916608 Ni\n0.750000 0.306591 0.416608 Ni\n0.250000 0.693409 0.583392 Ni\n0.750000 0.195827 0.087571 Ge\n0.250000 0.304173 0.587571 Ge\n0.250000 0.804173 0.912429 Ge\n0.750000 0.695827 0.412429 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Tb",
"density": 8.920832949414116,
"density_atomic": 0.05552547001912926,
"volume": 216.11703594523092,
"volume_molar": 10.84572675913467,
"formula_full": "Tb4 Ni4 Ge4",
"formula_reduced": "TbNiGe",
"formula_anonymous": "ABC",
"energy": -69.63152301,
"energy_per_atom": -5.8026269175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.63152301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.076000Z",
"spacegroup": 62
},
{
"id": "mp-1018796",
"created_at": "2022-09-04T14:46:14.336188Z",
"structure_string": "Mg4 Si2\n1.0\n2.312303 -4.005026 0.000000\n2.312303 4.005026 0.000000\n0.000000 0.000000 6.084334\nMg Si\n4 2\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.750000 Si\n0.333333 0.666667 0.250000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2602467395617487,
"density_atomic": 0.05324246151081522,
"volume": 112.69200990606362,
"volume_molar": 11.310785769693826,
"formula_full": "Mg4 Si2",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -17.063924370000002,
"energy_per_atom": -2.8439873950000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.20592437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.010491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.280000Z",
"spacegroup": 194
},
{
"id": "mp-1097270",
"created_at": "2022-09-04T14:46:14.343752Z",
"structure_string": "Y2 Ru1 Pt1\n1.0\n-5.001889 5.935916 8.392555\n5.001889 -5.935916 8.392555\n5.001889 5.935916 -8.392555\nY Ru Pt\n2 1 1\ndirect\n0.000000 0.236618 0.236618 Y\n0.000000 0.763382 0.763382 Y\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ru",
"Pt"
],
"chemical_system": "Pt-Ru-Y",
"density": 0.7896234319568406,
"density_atomic": 0.004013137200672268,
"volume": 996.7264511489745,
"volume_molar": 150.06067470085972,
"formula_full": "Y2 Ru1 Pt1",
"formula_reduced": "Y2RuPt",
"formula_anonymous": "ABC2",
"energy": -20.59472483,
"energy_per_atom": -5.1486812075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.59472483,
"band_gap": 0.3631999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.901000Z",
"spacegroup": 71
},
{
"id": "mp-1227632",
"created_at": "2022-09-04T14:46:14.346466Z",
"structure_string": "Ba2 Zn2 Fe12 O22\n1.0\n2.946805 5.106443 0.000000\n-2.946805 5.106443 0.000000\n0.000000 3.313280 14.583248\nBa Zn Fe O\n2 2 12 22\ndirect\n0.297359 0.297359 0.104860 Ba\n0.699463 0.699463 0.895578 Ba\n0.848121 0.848121 0.456441 Zn\n0.155225 0.155225 0.542188 Zn\n0.931896 0.931896 0.201157 Fe\n0.064719 0.064719 0.800806 Fe\n0.999252 0.999252 0.000789 Fe\n0.506559 0.506559 0.499018 Fe\n0.387779 0.892252 0.331348 Fe\n0.892252 0.387779 0.331348 Fe\n0.386249 0.386249 0.330669 Fe\n0.612332 0.106111 0.668269 Fe\n0.106111 0.612332 0.668269 Fe\n0.612351 0.612351 0.668490 Fe\n0.623259 0.623259 0.132008 Fe\n0.377155 0.377155 0.869127 Fe\n0.204118 0.204118 0.401100 O\n0.799234 0.799234 0.595917 O\n0.684558 0.684558 0.405466 O\n0.691829 0.227054 0.412129 O\n0.227054 0.691829 0.412129 O\n0.321003 0.321003 0.591308 O\n0.329832 0.778908 0.587438 O\n0.778908 0.329832 0.587438 O\n0.087472 0.087472 0.259100 O\n0.078921 0.567308 0.254863 O\n0.567308 0.078921 0.254863 O\n0.909937 0.909937 0.741038 O\n0.902095 0.426801 0.746189 O\n0.426801 0.902095 0.746189 O\n0.573741 0.573741 0.262978 O\n0.422828 0.422828 0.739112 O\n0.813017 0.813017 0.087626 O\n0.813015 0.284079 0.089274 O\n0.284079 0.813015 0.089274 O\n0.186073 0.186073 0.911385 O\n0.182808 0.715286 0.912394 O\n0.715286 0.182808 0.912394 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Zn",
"density": 5.4013351772375895,
"density_atomic": 0.08658236670829338,
"volume": 438.8884416618763,
"volume_molar": 6.955389404275967,
"formula_full": "Ba2 Zn2 Fe12 O22",
"formula_reduced": "BaZnFe6O11",
"formula_anonymous": "ABC6D11",
"energy": -285.70428227,
"energy_per_atom": -7.518533743947369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -243.51828227,
"band_gap": 1.0812,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 60.0014635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.538000Z",
"spacegroup": 8
},
{
"id": "mp-1236228",
"created_at": "2022-09-04T14:46:14.346973Z",
"structure_string": "Ba2 Li1 Eu1 Cu4 O8\n1.0\n0.000000 0.000000 4.011920\n3.899869 0.204919 0.000000\n-1.173810 15.062462 0.000000\nBa Li Eu Cu O\n2 1 1 4 8\ndirect\n0.500000 0.376731 0.728989 Ba\n0.500000 0.423488 0.211210 Ba\n0.000000 0.840349 0.349712 Li\n0.500000 0.415036 0.971924 Eu\n0.000000 0.925825 0.084066 Cu\n0.000000 0.901212 0.865508 Cu\n0.000000 0.342028 0.454919 Cu\n0.000000 0.856530 0.590338 Cu\n0.000000 0.331101 0.324850 O\n0.000000 0.872253 0.712034 O\n0.000000 0.402419 0.878302 O\n0.000000 0.426483 0.084297 O\n0.000000 0.354887 0.581102 O\n0.000000 0.842530 0.467092 O\n0.500000 0.926395 0.091363 O\n0.500000 0.904401 0.877443 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Li",
"Eu",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Eu-Li-O",
"density": 5.7243598460117635,
"density_atomic": 0.06761561641318328,
"volume": 236.6317257573713,
"volume_molar": 8.906434754953796,
"formula_full": "Ba2 Li1 Eu1 Cu4 O8",
"formula_reduced": "Ba2LiEu(CuO2)4",
"formula_anonymous": "ABC2D4E8",
"energy": -101.76887181,
"energy_per_atom": -6.360554488125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.27287181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8115587,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.456000Z",
"spacegroup": 6
},
{
"id": "mp-1113503",
"created_at": "2022-09-04T14:46:14.634897Z",
"structure_string": "Na3 Nd1 Cl6\n1.0\n0.000000 5.418764 5.418764\n5.418764 0.000000 5.418764\n5.418764 5.418764 0.000000\nNa Nd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nd\n0.749830 0.250170 0.250170 Cl\n0.250170 0.250170 0.749830 Cl\n0.250170 0.749830 0.749830 Cl\n0.250170 0.749830 0.250170 Cl\n0.749830 0.250170 0.749830 Cl\n0.749830 0.749830 0.250170 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Nd",
"Cl"
],
"chemical_system": "Cl-Na-Nd",
"density": 2.2225723937122193,
"density_atomic": 0.031424566383392666,
"volume": 318.2223702944975,
"volume_molar": 19.163799068943067,
"formula_full": "Na3 Nd1 Cl6",
"formula_reduced": "Na3NdCl6",
"formula_anonymous": "AB3C6",
"energy": -41.76990667,
"energy_per_atom": -4.176990667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.08590667,
"band_gap": 3.8903,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.249000Z",
"spacegroup": 225
},
{
"id": "mp-1200504",
"created_at": "2022-09-04T14:46:14.346717Z",
"structure_string": "Ga4 H12 C15 O31\n1.0\n-5.864478 5.864478 5.864478\n5.864478 -5.864478 5.864478\n5.864478 5.864478 -5.864478\nGa H C O\n4 12 15 31\ndirect\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.675937 0.783555 0.459492 H\n0.675937 0.216445 0.892381 H\n0.324063 0.783555 0.107619 H\n0.324063 0.216445 0.540508 H\n0.783555 0.459492 0.675937 H\n0.216445 0.892381 0.675937 H\n0.783555 0.107619 0.324063 H\n0.216445 0.540508 0.324063 H\n0.459492 0.675937 0.783555 H\n0.892381 0.675937 0.216445 H\n0.107619 0.324063 0.783555 H\n0.540508 0.324063 0.216445 H\n0.757491 0.736909 0.494401 C\n0.757491 0.263091 0.020582 C\n0.242509 0.736909 0.979418 C\n0.242509 0.263091 0.505599 C\n0.736909 0.494401 0.757491 C\n0.263091 0.020582 0.757491 C\n0.736909 0.979418 0.242509 C\n0.263091 0.505599 0.242509 C\n0.494401 0.757491 0.736909 C\n0.020582 0.757491 0.263091 C\n0.979418 0.242509 0.736909 C\n0.505599 0.242509 0.263091 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.898185 0.804328 0.514198 O\n0.709869 0.195672 0.093857 O\n0.101815 0.616012 0.906143 O\n0.290131 0.383988 0.485802 O\n0.804328 0.514198 0.898185 O\n0.195672 0.093857 0.709869 O\n0.616012 0.906143 0.101815 O\n0.383988 0.485802 0.290131 O\n0.514198 0.898185 0.804328 O\n0.093857 0.709869 0.195672 O\n0.906143 0.101815 0.616012 O\n0.485802 0.290131 0.383988 O\n0.101815 0.195672 0.485802 O\n0.290131 0.804328 0.906143 O\n0.898185 0.383988 0.093857 O\n0.709869 0.616012 0.514198 O\n0.195672 0.485802 0.101815 O\n0.804328 0.906143 0.290131 O\n0.383988 0.093857 0.898185 O\n0.616012 0.514198 0.709869 O\n0.485802 0.101815 0.195672 O\n0.906143 0.290131 0.804328 O\n0.093857 0.898185 0.383988 O\n0.514198 0.709869 0.616012 O\n0.500000 0.899668 0.399668 O\n0.500000 0.100332 0.600332 O\n0.899668 0.399668 0.500000 O\n0.100332 0.600332 0.500000 O\n0.399668 0.500000 0.899668 O\n0.600332 0.500000 0.100332 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 62,
"nelements": 4,
"elements": [
"Ga",
"H",
"C",
"O"
],
"chemical_system": "C-Ga-H-O",
"density": 1.9906069169613936,
"density_atomic": 0.07684995436355857,
"volume": 806.7669071954549,
"volume_molar": 7.8362320574853,
"formula_full": "Ga4 H12 C15 O31",
"formula_reduced": "Ga4H12C15O31",
"formula_anonymous": "A4B12C15D31",
"energy": -430.02982722,
"energy_per_atom": -6.935964955161291,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -408.73282722,
"band_gap": 0.7539000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.996417,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.443000Z",
"spacegroup": 204
},
{
"id": "mp-867751",
"created_at": "2022-09-04T14:46:14.350789Z",
"structure_string": "Ca2 Ag1 Sn1\n1.0\n0.000000 3.783200 3.783200\n3.783200 0.000000 3.783200\n3.783200 3.783200 0.000000\nCa Ag Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Sn"
],
"chemical_system": "Ag-Ca-Sn",
"density": 4.703307786263262,
"density_atomic": 0.03693618975160843,
"volume": 108.29487358873598,
"volume_molar": 16.304174308444363,
"formula_full": "Ca2 Ag1 Sn1",
"formula_reduced": "Ca2AgSn",
"formula_anonymous": "ABC2",
"energy": -12.99543646,
"energy_per_atom": -3.248859115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.99543646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.633000Z",
"spacegroup": 225
},
{
"id": "mp-757037",
"created_at": "2022-09-04T14:46:13.052497Z",
"structure_string": "Li2 Fe2 Si6 O16\n1.0\n3.978632 6.590703 -0.024666\n-3.989099 6.585162 -0.108296\n-3.145928 -0.823653 6.323334\nLi Fe Si O\n2 2 6 16\ndirect\n0.268996 0.726529 0.146385 Li\n0.731004 0.273471 0.853615 Li\n0.452820 0.790460 0.632982 Fe\n0.547180 0.209540 0.367018 Fe\n0.226575 0.566520 0.706686 Si\n0.854939 0.849282 0.804138 Si\n0.156093 0.206615 0.758778 Si\n0.843907 0.793385 0.241222 Si\n0.145061 0.150718 0.195862 Si\n0.773425 0.433480 0.293314 Si\n0.106199 0.730066 0.819799 O\n0.318346 0.988847 0.744917 O\n0.072492 0.655240 0.454638 O\n0.286095 0.903569 0.330577 O\n0.082152 0.167470 0.945091 O\n0.457037 0.545082 0.741514 O\n0.270610 0.340549 0.809008 O\n0.738446 0.728034 0.717905 O\n0.261554 0.271966 0.282095 O\n0.729390 0.659451 0.190992 O\n0.542963 0.454918 0.258486 O\n0.917848 0.832530 0.054909 O\n0.713905 0.096431 0.669423 O\n0.927508 0.344760 0.545362 O\n0.681654 0.011153 0.255083 O\n0.893801 0.269934 0.180201 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.7412301099477507,
"density_atomic": 0.07802746917374821,
"volume": 333.21598502835354,
"volume_molar": 7.71797525124153,
"formula_full": "Li2 Fe2 Si6 O16",
"formula_reduced": "LiFeSi3O8",
"formula_anonymous": "ABC3D8",
"energy": -206.48113065,
"energy_per_atom": -7.941581948076924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.97713065,
"band_gap": 3.3579,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9981522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.616000Z",
"spacegroup": 2
}
]
}