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=-formation_energy_per_atom&page=10135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=10133",
"results": [
{
"id": "mp-1210529",
"created_at": "2022-09-04T14:41:46.701854Z",
"structure_string": "Na6 Er2 Br12\n1.0\n7.716724 0.000000 0.000000\n0.000000 7.400038 0.000000\n0.000000 7.379236 10.846018\nNa Er Br\n6 2 12\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.440843 0.242887 0.743632 Na\n0.559157 0.757113 0.256368 Na\n0.940843 0.757113 0.756368 Na\n0.059157 0.242887 0.243632 Na\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.696714 0.905855 0.922652 Br\n0.303286 0.094145 0.077348 Br\n0.196714 0.094145 0.577348 Br\n0.803286 0.905855 0.422652 Br\n0.062366 0.370184 0.760908 Br\n0.937634 0.629816 0.239092 Br\n0.562366 0.629816 0.739092 Br\n0.437634 0.370184 0.260908 Br\n0.178995 0.751038 0.937271 Br\n0.821005 0.248962 0.062729 Br\n0.678995 0.248962 0.562729 Br\n0.321005 0.751038 0.437271 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Er",
"Br"
],
"chemical_system": "Br-Er-Na",
"density": 3.8374606146593386,
"density_atomic": 0.03229183744292149,
"volume": 619.3515632348783,
"volume_molar": 18.64911146863239,
"formula_full": "Na6 Er2 Br12",
"formula_reduced": "Na3ErBr6",
"formula_anonymous": "AB3C6",
"energy": -76.98199489,
"energy_per_atom": -3.8490997444999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.57399489,
"band_gap": 4.5156,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.475000Z",
"spacegroup": 14
},
{
"id": "mp-1212176",
"created_at": "2022-09-04T14:41:46.734784Z",
"structure_string": "Hf4 Tl4 F20\n1.0\n7.967304 0.000000 0.000000\n0.000000 7.671989 0.000000\n0.000000 3.621897 7.120163\nHf Tl F\n4 4 20\ndirect\n0.837796 0.990995 0.340854 Hf\n0.162204 0.009005 0.659146 Hf\n0.337796 0.009005 0.159146 Hf\n0.662204 0.990995 0.840854 Hf\n0.528692 0.430965 0.296649 Tl\n0.471308 0.569035 0.703351 Tl\n0.028692 0.569035 0.203351 Tl\n0.971308 0.430965 0.796649 Tl\n0.791436 0.273801 0.163085 F\n0.208564 0.726199 0.836915 F\n0.291436 0.726199 0.336915 F\n0.708564 0.273801 0.663085 F\n0.563137 0.995133 0.289094 F\n0.436863 0.004867 0.710906 F\n0.063137 0.004867 0.210906 F\n0.936863 0.995133 0.789094 F\n0.790073 0.987751 0.064977 F\n0.209927 0.012249 0.935023 F\n0.290073 0.012249 0.435023 F\n0.709927 0.987751 0.564977 F\n0.494565 0.828193 0.071073 F\n0.505435 0.171807 0.928927 F\n0.994565 0.171807 0.428927 F\n0.005435 0.828193 0.571073 F\n0.793231 0.707275 0.412897 F\n0.206769 0.292725 0.587103 F\n0.293231 0.292725 0.087103 F\n0.706769 0.707275 0.912897 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"Tl",
"F"
],
"chemical_system": "F-Hf-Tl",
"density": 7.29298471023133,
"density_atomic": 0.06433521187066638,
"volume": 435.2204521575003,
"volume_molar": 9.3605672304404,
"formula_full": "Hf4 Tl4 F20",
"formula_reduced": "HfTlF5",
"formula_anonymous": "ABC5",
"energy": -187.90166182,
"energy_per_atom": -6.710773636428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.66166182,
"band_gap": 4.7684,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.25e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.597000Z",
"spacegroup": 14
},
{
"id": "mp-773399",
"created_at": "2022-09-04T14:41:46.591333Z",
"structure_string": "Li6 Fe2 P4 O16\n1.0\n-0.019853 0.000000 4.736059\n10.234776 -0.000003 -0.042498\n-0.000002 5.938342 -0.000001\nLi Fe P O\n6 2 4 16\ndirect\n0.000000 0.999999 0.999998 Li\n0.000000 0.999999 0.500002 Li\n0.478624 0.220071 0.750000 Li\n0.521378 0.779925 0.250001 Li\n0.500002 0.499998 0.000001 Li\n0.500001 0.499999 0.499999 Li\n0.008069 0.719895 0.750001 Fe\n0.991937 0.280120 0.249999 Fe\n0.412361 0.100208 0.250000 P\n0.587643 0.899788 0.750000 P\n0.932748 0.406801 0.750000 P\n0.067245 0.593199 0.250000 P\n0.692951 0.041715 0.750000 O\n0.307053 0.958284 0.250000 O\n0.739260 0.112362 0.250000 O\n0.260744 0.887639 0.750000 O\n0.253234 0.411238 0.750000 O\n0.746760 0.588760 0.249999 O\n0.202745 0.452330 0.250000 O\n0.797258 0.547671 0.749999 O\n0.270180 0.173728 0.046676 O\n0.270180 0.173727 0.453324 O\n0.729818 0.826270 0.546670 O\n0.729819 0.826270 0.953331 O\n0.799923 0.337385 0.538841 O\n0.799922 0.337385 0.961159 O\n0.200073 0.662617 0.038842 O\n0.200073 0.662617 0.461159 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.0761224190586085,
"density_atomic": 0.09727582860676758,
"volume": 287.8412900823341,
"volume_molar": 6.190788447913601,
"formula_full": "Li6 Fe2 P4 O16",
"formula_reduced": "Li3Fe(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -200.94785328,
"energy_per_atom": -7.1767090457142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.44385328,
"band_gap": 2.16,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.904000Z",
"spacegroup": 11
},
{
"id": "mp-1237061",
"created_at": "2022-09-04T14:41:46.592978Z",
"structure_string": "Al2 Tl2 Fe4 F4\n1.0\n2.669099 7.655861 0.000000\n-2.669099 7.655861 0.000000\n0.000000 0.137386 5.156863\nAl Tl Fe F\n2 2 4 4\ndirect\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.139969 0.860031 0.250000 Tl\n0.860031 0.139969 0.750000 Tl\n0.039792 0.633998 0.531552 Fe\n0.960208 0.366002 0.468448 Fe\n0.366002 0.960208 0.968448 Fe\n0.633998 0.039792 0.031552 Fe\n0.722858 0.559581 0.080382 F\n0.277142 0.440419 0.919618 F\n0.440419 0.277142 0.419618 F\n0.559581 0.722858 0.580382 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Al",
"Tl",
"Fe",
"F"
],
"chemical_system": "Al-F-Fe-Tl",
"density": 6.004662772902344,
"density_atomic": 0.05693861961505969,
"volume": 210.7532652025537,
"volume_molar": 10.576548572328237,
"formula_full": "Al2 Tl2 Fe4 F4",
"formula_reduced": "AlTlFe2F2",
"formula_anonymous": "ABC2D2",
"energy": -61.67009288999999,
"energy_per_atom": -5.1391744075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.79809289,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.6198408,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.425000Z",
"spacegroup": 15
},
{
"id": "mp-562182",
"created_at": "2022-09-04T14:41:46.607512Z",
"structure_string": "Zn4 Si4 O12\n1.0\n4.721505 5.013459 0.000000\n-4.721505 5.013459 0.000000\n0.000000 2.068381 4.958823\nZn Si O\n4 4 12\ndirect\n0.116005 0.883995 0.750000 Zn\n0.768526 0.231474 0.750000 Zn\n0.231474 0.768526 0.250000 Zn\n0.883995 0.116005 0.250000 Zn\n0.384907 0.217483 0.232630 Si\n0.615093 0.782517 0.767370 Si\n0.217483 0.384907 0.732630 Si\n0.782517 0.615093 0.267370 Si\n0.328200 0.375608 0.970177 O\n0.375608 0.328200 0.470177 O\n0.624392 0.671800 0.529823 O\n0.855391 0.384281 0.374267 O\n0.384281 0.855391 0.874267 O\n0.965715 0.788431 0.141102 O\n0.788431 0.965715 0.641102 O\n0.671800 0.624392 0.029823 O\n0.144609 0.615719 0.625733 O\n0.615719 0.144609 0.125733 O\n0.034285 0.211569 0.858898 O\n0.211569 0.034285 0.358898 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 4.003285823759669,
"density_atomic": 0.08519291363273376,
"volume": 234.7613099162203,
"volume_molar": 7.068828266587313,
"formula_full": "Zn4 Si4 O12",
"formula_reduced": "ZnSiO3",
"formula_anonymous": "ABC3",
"energy": -139.0077828,
"energy_per_atom": -6.95038914,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.7637828,
"band_gap": 3.4379,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004091,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.555000Z",
"spacegroup": 15
},
{
"id": "mp-1220140",
"created_at": "2022-09-04T14:41:46.608513Z",
"structure_string": "Ni2 P2 Se3 S3\n1.0\n5.971549 0.000000 0.000000\n-2.956650 -5.232325 0.000000\n-2.000195 0.018707 -6.703400\nNi P Se S\n2 2 3 3\ndirect\n0.331774 0.671320 0.995553 Ni\n0.665293 0.322910 0.994796 Ni\n0.955719 0.010571 0.837616 P\n0.043937 0.000443 0.164385 P\n0.570599 0.649484 0.757924 Se\n0.076003 0.642503 0.238412 Se\n0.435146 0.356410 0.239455 Se\n0.270210 0.002851 0.777622 S\n0.722117 0.999721 0.218367 S\n0.929202 0.343786 0.775869 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ni",
"P",
"Se",
"S"
],
"chemical_system": "Ni-P-S-Se",
"density": 4.062461647839627,
"density_atomic": 0.047744478365202944,
"volume": 209.44830360296038,
"volume_molar": 12.613271662402427,
"formula_full": "Ni2 P2 Se3 S3",
"formula_reduced": "Ni2P2(SeS)3",
"formula_anonymous": "A2B2C3D3",
"energy": -49.87642811,
"energy_per_atom": -4.987642811,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.95142811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9586775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.069000Z",
"spacegroup": 1
},
{
"id": "mp-1186133",
"created_at": "2022-09-04T14:41:46.614373Z",
"structure_string": "Na1 Ge1 O3\n1.0\n3.764763 0.000000 0.000000\n0.000000 3.764763 0.000000\n0.000000 0.000000 3.764763\nNa Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Ge",
"O"
],
"chemical_system": "Ge-Na-O",
"density": 4.4696672501445756,
"density_atomic": 0.09370377327956429,
"volume": 53.35964417444054,
"volume_molar": 6.4267857624398985,
"formula_full": "Na1 Ge1 O3",
"formula_reduced": "NaGeO3",
"formula_anonymous": "ABC3",
"energy": -29.281866980000004,
"energy_per_atom": -5.856373396,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.22086698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.442854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.027000Z",
"spacegroup": 221
},
{
"id": "mp-1175992",
"created_at": "2022-09-04T14:41:46.615406Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.974657 0.000000 0.000000\n-0.143894 8.078926 0.000000\n-0.870298 -0.152161 11.898198\nLi Mn Co O\n9 2 5 16\ndirect\n0.992619 0.009150 0.249911 Li\n0.499264 0.749217 0.625626 Li\n0.999398 0.490233 0.002779 Li\n0.504114 0.252721 0.375020 Li\n0.004236 0.001304 0.746523 Li\n0.504342 0.745856 0.124082 Li\n0.001981 0.496735 0.500881 Li\n0.493583 0.254242 0.880613 Li\n0.507308 0.254608 0.118961 Li\n0.997729 0.007228 0.002698 Mn\n0.503142 0.749279 0.374691 Mn\n0.998174 0.499721 0.750164 Co\n0.997848 0.001521 0.501132 Co\n0.488946 0.747474 0.876277 Co\n0.007546 0.488119 0.244358 Co\n0.499479 0.250634 0.625659 Co\n0.522569 0.999232 0.109677 O\n0.974132 0.763156 0.498124 O\n0.475713 0.511059 0.867193 O\n0.994767 0.273863 0.252923 O\n0.475277 0.011815 0.620125 O\n0.969004 0.759386 0.991354 O\n0.477017 0.508872 0.370155 O\n0.973399 0.261326 0.742676 O\n0.526872 0.992706 0.378912 O\n0.025351 0.739790 0.756768 O\n0.526579 0.500280 0.135054 O\n0.026424 0.237592 0.507378 O\n0.473284 0.989181 0.888997 O\n0.026571 0.732235 0.253325 O\n0.526888 0.489008 0.630868 O\n0.006447 0.232455 0.997092 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.198716552222073,
"density_atomic": 0.11191241322338957,
"volume": 285.93789623787717,
"volume_molar": 5.381119561758658,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.81965958,
"energy_per_atom": -6.494364361875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.30165958,
"band_gap": 0.3562000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9992894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.755000Z",
"spacegroup": 1
},
{
"id": "mp-625943",
"created_at": "2022-09-04T14:41:46.616844Z",
"structure_string": "Co1 H2 O2\n1.0\n1.713250 -2.967436 0.000000\n1.713250 2.967436 0.000000\n0.000000 0.000000 4.440165\nCo H O\n1 2 2\ndirect\n0.666667 0.333333 0.985755 Co\n0.333333 0.666667 0.019188 H\n0.000000 0.000000 0.425238 H\n0.333333 0.666667 0.795504 O\n0.000000 0.000000 0.204516 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 3.4186713808643883,
"density_atomic": 0.1107487410275038,
"volume": 45.147240082469914,
"volume_molar": 5.437660694042957,
"formula_full": "Co1 H2 O2",
"formula_reduced": "Co(HO)2",
"formula_anonymous": "AB2C2",
"energy": -28.96301069,
"energy_per_atom": -5.792602138,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.95101069,
"band_gap": 2.0404,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0001623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.478000Z",
"spacegroup": 156
},
{
"id": "mp-1196128",
"created_at": "2022-09-04T14:41:46.627284Z",
"structure_string": "Li1 Al1 H8 C16 O8 F36\n1.0\n-6.749883 6.749883 4.691083\n6.749883 -6.749883 4.691083\n6.749883 6.749883 -4.691083\nLi Al H C O F\n1 1 8 16 8 36\ndirect\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.688928 0.966499 0.475156 H\n0.491343 0.213772 0.524844 H\n0.786228 0.311072 0.277571 H\n0.033501 0.508657 0.722429 H\n0.583732 0.941856 0.333363 H\n0.608492 0.250369 0.666637 H\n0.749631 0.416268 0.358124 H\n0.058144 0.391508 0.641876 H\n0.115235 0.005898 0.764823 C\n0.241075 0.350412 0.235177 C\n0.649588 0.884765 0.890663 C\n0.994102 0.758925 0.109337 C\n0.317351 0.130998 0.852874 C\n0.278124 0.464477 0.147126 C\n0.535523 0.682649 0.813647 C\n0.869002 0.721876 0.186353 C\n0.085511 0.066160 0.645717 C\n0.420443 0.439794 0.354283 C\n0.560206 0.914489 0.980649 C\n0.933840 0.579557 0.019351 C\n0.037991 0.814464 0.692529 C\n0.121935 0.345463 0.307471 C\n0.654537 0.962009 0.776472 C\n0.185536 0.878065 0.223528 C\n0.035181 0.013672 0.846565 O\n0.167107 0.188616 0.153435 O\n0.811384 0.964819 0.978491 O\n0.986328 0.832893 0.021509 O\n0.680605 0.028733 0.423303 O\n0.605430 0.257302 0.576697 O\n0.742698 0.319395 0.348128 O\n0.971267 0.394570 0.651872 O\n0.396986 0.097505 0.785223 F\n0.312282 0.611763 0.214777 F\n0.388237 0.603014 0.700519 F\n0.902495 0.687718 0.299481 F\n0.347740 0.115771 0.976157 F\n0.139614 0.371583 0.023843 F\n0.628417 0.652260 0.768031 F\n0.884229 0.860386 0.231969 F\n0.395530 0.298154 0.881808 F\n0.416346 0.513722 0.118192 F\n0.486278 0.604470 0.902624 F\n0.701846 0.583654 0.097376 F\n0.196929 0.107780 0.581807 F\n0.525972 0.615121 0.418193 F\n0.384879 0.803071 0.910851 F\n0.892220 0.474028 0.089149 F\n0.106847 0.207518 0.699804 F\n0.507714 0.407043 0.300196 F\n0.592957 0.893153 0.100671 F\n0.792482 0.492286 0.899329 F\n0.921299 0.939349 0.544805 F\n0.394544 0.376494 0.455195 F\n0.623506 0.078701 0.018049 F\n0.060651 0.605456 0.981951 F\n0.081317 0.791743 0.583403 F\n0.208339 0.497914 0.416597 F\n0.502086 0.918683 0.710426 F\n0.208257 0.791661 0.289574 F\n0.862941 0.697879 0.644047 F\n0.053832 0.218894 0.355953 F\n0.781106 0.137059 0.834938 F\n0.302121 0.946168 0.165062 F\n0.097575 0.772988 0.786627 F\n0.986360 0.310947 0.213373 F\n0.689053 0.902425 0.675413 F\n0.227012 0.013640 0.324587 F\n",
"nsites": 70,
"nelements": 6,
"elements": [
"Li",
"Al",
"H",
"C",
"O",
"F"
],
"chemical_system": "Al-C-F-H-Li-O",
"density": 2.0318639010346367,
"density_atomic": 0.08187898335732635,
"volume": 854.9202387444708,
"volume_molar": 7.354928594702868,
"formula_full": "Li1 Al1 H8 C16 O8 F36",
"formula_reduced": "LiAlH8C16(O2F9)4",
"formula_anonymous": "ABC8D8E16F36",
"energy": -412.95888367,
"energy_per_atom": -5.899412623857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -390.83088367,
"band_gap": 5.8174,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001693,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.764000Z",
"spacegroup": 82
},
{
"id": "mp-1213407",
"created_at": "2022-09-04T14:41:46.629210Z",
"structure_string": "Eu2 Ni18 Ge8\n1.0\n-4.214751 4.214751 5.646232\n4.214751 -4.214751 5.646232\n4.214751 4.214751 -5.646232\nEu Ni Ge\n2 18 8\ndirect\n0.750000 0.750000 0.000000 Eu\n0.250000 0.250000 0.000000 Eu\n0.299687 0.799687 0.864377 Ni\n0.700313 0.200313 0.135623 Ni\n0.935311 0.435311 0.135623 Ni\n0.799687 0.935311 0.500000 Ni\n0.564689 0.700313 0.500000 Ni\n0.064689 0.564689 0.864377 Ni\n0.200313 0.064689 0.500000 Ni\n0.435311 0.299687 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.794109 0.294109 0.728563 Ni\n0.205891 0.705891 0.271437 Ni\n0.565546 0.065546 0.271437 Ni\n0.294109 0.565546 0.500000 Ni\n0.934454 0.205891 0.500000 Ni\n0.434454 0.934454 0.728563 Ni\n0.705891 0.434454 0.500000 Ni\n0.065546 0.794109 0.500000 Ni\n0.717776 0.555869 0.273646 Ge\n0.282224 0.444131 0.726354 Ge\n0.555869 0.282224 0.838093 Ge\n0.217776 0.944131 0.161907 Ge\n0.444131 0.717776 0.161907 Ge\n0.782224 0.055869 0.838093 Ge\n0.055869 0.217776 0.273646 Ge\n0.944131 0.782224 0.726354 Ge\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Eu",
"Ni",
"Ge"
],
"chemical_system": "Eu-Ge-Ni",
"density": 8.035824973767978,
"density_atomic": 0.06979036605173763,
"volume": 401.2015065122711,
"volume_molar": 8.62889980478912,
"formula_full": "Eu2 Ni18 Ge8",
"formula_reduced": "EuNi9Ge4",
"formula_anonymous": "AB4C9",
"energy": -166.2228032,
"energy_per_atom": -5.936528685714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.2228032,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.4145053,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.052000Z",
"spacegroup": 140
},
{
"id": "mp-1519816",
"created_at": "2022-09-04T14:41:46.631517Z",
"structure_string": "Ba2 Eu2 Bi2 Sb2 O12\n1.0\n6.057728 -0.000145 -0.026307\n0.001274 6.135076 0.011467\n-0.036547 0.017534 8.597415\nBa Eu Bi Sb O\n2 2 2 2 12\ndirect\n0.994712 0.031678 0.249435 Ba\n0.005288 0.968322 0.750565 Ba\n0.513248 0.540520 0.247201 Eu\n0.486752 0.459480 0.752799 Eu\n0.000000 0.500000 -0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.500000 -0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.232450 0.197348 0.967553 O\n0.269444 0.691540 0.555972 O\n0.767550 0.802652 0.032447 O\n0.730556 0.308460 0.444028 O\n0.317614 0.721967 0.948936 O\n0.197392 0.237018 0.545100 O\n0.682386 0.278033 0.051064 O\n0.802608 0.762982 0.454900 O\n0.433542 0.951137 0.230733 O\n0.103436 0.493397 0.271589 O\n0.566458 0.048863 0.769267 O\n0.896564 0.506603 0.728411 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Bi",
"Sb",
"O"
],
"chemical_system": "Ba-Bi-Eu-O-Sb",
"density": 7.442537679011432,
"density_atomic": 0.06259534829527483,
"volume": 319.5125603528234,
"volume_molar": 9.62074806516349,
"formula_full": "Ba2 Eu2 Bi2 Sb2 O12",
"formula_reduced": "BaEuBiSbO6",
"formula_anonymous": "ABCDE6",
"energy": -148.62623041,
"energy_per_atom": -7.4313115205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.38223041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9359448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.848000Z",
"spacegroup": 2
}
]
}