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=is_magnetic&page=11517",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=11515",
"results": [
{
"id": "mp-27151",
"created_at": "2022-09-04T14:40:17.393850Z",
"structure_string": "V14 O26\n1.0\n-5.548663 0.000000 0.000000\n2.200065 6.771220 0.000000\n-0.030355 -1.450778 -11.342489\nV O\n14 26\ndirect\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.615251 0.262969 0.647760 V\n0.384749 0.737031 0.352240 V\n0.590016 0.750941 0.641178 V\n0.409984 0.249059 0.358822 V\n0.207389 0.018037 0.785758 V\n0.792611 0.981963 0.214242 V\n0.207123 0.512210 0.798405 V\n0.792877 0.487790 0.201595 V\n0.798208 0.785631 0.941314 V\n0.201792 0.214369 0.058686 V\n0.789303 0.283671 0.945215 V\n0.210697 0.716329 0.054785 V\n0.362687 0.173517 0.511496 O\n0.637313 0.826483 0.488504 O\n0.875019 0.226124 0.557044 O\n0.124981 0.773876 0.442956 O\n0.711428 0.536059 0.607027 O\n0.288572 0.463941 0.392973 O\n0.243411 0.597936 0.638306 O\n0.756589 0.402064 0.361694 O\n0.974581 0.926233 0.670792 O\n0.025419 0.073767 0.329208 O\n0.500769 0.991041 0.702782 O\n0.499231 0.008959 0.297218 O\n0.335296 0.287496 0.746286 O\n0.664704 0.712504 0.253714 O\n0.808556 0.556321 0.023864 O\n0.191444 0.443679 0.976136 O\n0.543886 0.834599 0.056798 O\n0.456114 0.165401 0.943202 O\n0.047597 0.929223 0.092180 O\n0.952403 0.070777 0.907820 O\n0.870415 0.230774 0.121399 O\n0.129585 0.769226 0.878601 O\n0.418475 0.305887 0.177788 O\n0.581525 0.694113 0.822212 O\n0.155649 0.637901 0.207051 O\n0.844351 0.362099 0.792949 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.399902164096702,
"density_atomic": 0.09386341512616557,
"volume": 426.1511255075729,
"volume_molar": 6.415855157097576,
"formula_full": "V14 O26",
"formula_reduced": "V7O13",
"formula_anonymous": "A7B13",
"energy": -355.02322913,
"energy_per_atom": -8.87558072825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.36122913,
"band_gap": 0.5028000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9999531,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.741000Z",
"spacegroup": 2
},
{
"id": "mp-1210788",
"created_at": "2022-09-04T14:40:17.405479Z",
"structure_string": "Mn8 Tl8 S12 O48\n1.0\n10.382589 0.000000 0.000000\n0.000000 10.382589 0.000000\n0.000000 0.000000 10.382589\nMn Tl S O\n8 8 12 48\ndirect\n0.334945 0.334945 0.334945 Mn\n0.165055 0.665055 0.834945 Mn\n0.665055 0.834945 0.165055 Mn\n0.834945 0.165055 0.665055 Mn\n0.598327 0.598327 0.598327 Mn\n0.901673 0.401673 0.098327 Mn\n0.401673 0.098327 0.901673 Mn\n0.098327 0.901673 0.401673 Mn\n0.048276 0.048276 0.048276 Tl\n0.451724 0.951724 0.548276 Tl\n0.951724 0.548276 0.451724 Tl\n0.548276 0.451724 0.951724 Tl\n0.817035 0.817035 0.817035 Tl\n0.682965 0.182965 0.317035 Tl\n0.182965 0.317035 0.682965 Tl\n0.317035 0.682965 0.182965 Tl\n0.017898 0.216299 0.375882 S\n0.482102 0.783701 0.875882 S\n0.982102 0.716299 0.124118 S\n0.375882 0.017898 0.216299 S\n0.517898 0.283701 0.624118 S\n0.875882 0.482102 0.783701 S\n0.124118 0.982102 0.716299 S\n0.624118 0.517898 0.283701 S\n0.216299 0.375882 0.017898 S\n0.716299 0.124118 0.982102 S\n0.283701 0.624118 0.517898 S\n0.783701 0.875882 0.482102 S\n0.008898 0.080030 0.329918 O\n0.491102 0.919970 0.829918 O\n0.991102 0.580030 0.170082 O\n0.329918 0.008898 0.080030 O\n0.508898 0.419970 0.670082 O\n0.829918 0.491102 0.919970 O\n0.170082 0.991102 0.580030 O\n0.670082 0.508898 0.419970 O\n0.080030 0.329918 0.008898 O\n0.580030 0.170082 0.991102 O\n0.419970 0.670082 0.508898 O\n0.919970 0.829918 0.491102 O\n0.265850 0.502841 0.442944 O\n0.234150 0.497159 0.942944 O\n0.734150 0.002841 0.057056 O\n0.442944 0.265850 0.502841 O\n0.765850 0.997159 0.557056 O\n0.942944 0.234150 0.497159 O\n0.057056 0.734150 0.002841 O\n0.557056 0.765850 0.997159 O\n0.502841 0.442944 0.265850 O\n0.002841 0.057056 0.734150 O\n0.997159 0.557056 0.765850 O\n0.497159 0.942944 0.234150 O\n0.039983 0.801774 0.223536 O\n0.460017 0.198226 0.723536 O\n0.960017 0.301774 0.276464 O\n0.223536 0.039983 0.801774 O\n0.539983 0.698226 0.776464 O\n0.723536 0.460017 0.198226 O\n0.276464 0.960017 0.301774 O\n0.776464 0.539983 0.698226 O\n0.801774 0.223536 0.039983 O\n0.301774 0.276464 0.960017 O\n0.698226 0.776464 0.539983 O\n0.198226 0.723536 0.460017 O\n0.154060 0.251752 0.401713 O\n0.345940 0.748248 0.901713 O\n0.845940 0.751752 0.098287 O\n0.401713 0.154060 0.251752 O\n0.654060 0.248248 0.598287 O\n0.901713 0.345940 0.748248 O\n0.098287 0.845940 0.751752 O\n0.598287 0.654060 0.248248 O\n0.251752 0.401713 0.154060 O\n0.751752 0.098287 0.845940 O\n0.248248 0.598287 0.654060 O\n0.748248 0.901713 0.345940 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Mn",
"Tl",
"S",
"O"
],
"chemical_system": "Mn-O-S-Tl",
"density": 4.788223378934022,
"density_atomic": 0.06790419491662235,
"volume": 1119.2239315011136,
"volume_molar": 8.86858428613198,
"formula_full": "Mn8 Tl8 S12 O48",
"formula_reduced": "Mn2Tl2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -525.75215044,
"energy_per_atom": -6.9177914531578955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -479.43215044,
"band_gap": 4.3732,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 40.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.205000Z",
"spacegroup": 198
},
{
"id": "mp-1235721",
"created_at": "2022-09-04T14:40:17.437962Z",
"structure_string": "Li1 Ru1 Pb1 O3\n1.0\n5.420850 0.000000 0.000000\n0.000000 3.871471 0.000000\n0.000000 0.000000 3.874947\nLi Ru Pb O\n1 1 1 3\ndirect\n0.500000 0.000000 0.000000 Li\n0.499998 0.499998 0.499998 Ru\n0.000000 0.000000 0.000000 Pb\n0.499998 0.499998 0.000000 O\n0.499998 0.000000 0.499998 O\n0.000000 0.499998 0.499998 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Li",
"Ru",
"Pb",
"O"
],
"chemical_system": "Li-O-Pb-Ru",
"density": 7.416461911868483,
"density_atomic": 0.07378058307424804,
"volume": 81.32220904193703,
"volume_molar": 8.162229829411492,
"formula_full": "Li1 Ru1 Pb1 O3",
"formula_reduced": "LiRuPbO3",
"formula_anonymous": "ABCD3",
"energy": -36.23793448,
"energy_per_atom": -6.039655746666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.17693448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5332066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.914000Z",
"spacegroup": 123
},
{
"id": "mp-780518",
"created_at": "2022-09-04T14:40:17.439221Z",
"structure_string": "Li10 Ni8 O16\n1.0\n2.864335 5.240477 -0.000619\n5.744365 -0.008492 0.001217\n-0.002177 0.001824 -9.626783\nLi Ni O\n10 8 16\ndirect\n0.972949 0.011145 0.485308 Li\n0.027393 0.983926 0.985136 Li\n0.198302 0.184801 0.558439 Li\n0.353523 0.323231 0.782307 Li\n0.594325 0.203702 0.545060 Li\n0.203624 0.618825 0.559144 Li\n0.805703 0.383646 0.057505 Li\n0.646254 0.676568 0.282344 Li\n0.408144 0.796807 0.043118 Li\n0.801041 0.817284 0.058537 Li\n0.330699 0.335465 0.033503 Ni\n0.663854 0.667565 0.533054 Ni\n0.151647 0.176718 0.286268 Ni\n0.642991 0.178626 0.286763 Ni\n0.152337 0.670631 0.286412 Ni\n0.847990 0.328819 0.786330 Ni\n0.359593 0.819926 0.787132 Ni\n0.847242 0.822952 0.786275 Ni\n0.010753 0.987232 0.680707 O\n0.982030 0.002062 0.181542 O\n0.186829 0.163722 0.914259 O\n0.476586 0.028235 0.157928 O\n0.702376 0.145345 0.902124 O\n0.014060 0.501136 0.167774 O\n0.311673 0.350128 0.399242 O\n0.481849 0.494254 0.156315 O\n0.809725 0.349419 0.411846 O\n0.192359 0.646157 0.913839 O\n0.525206 0.500117 0.657052 O\n0.983160 0.511390 0.667338 O\n0.694011 0.659081 0.900596 O\n0.299123 0.840266 0.404878 O\n0.519670 0.977436 0.654906 O\n0.803352 0.842998 0.411656 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.551377256327232,
"density_atomic": 0.1172287548215585,
"volume": 290.0312304071949,
"volume_molar": 5.137084983259177,
"formula_full": "Li10 Ni8 O16",
"formula_reduced": "Li5(NiO2)4",
"formula_anonymous": "A4B5C8",
"energy": -195.59472138,
"energy_per_atom": -5.752785922941177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.27472138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9993914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.353000Z",
"spacegroup": 9
},
{
"id": "mp-690617",
"created_at": "2022-09-04T14:40:17.440361Z",
"structure_string": "Li1 Mn3 Al2 H6 O12\n1.0\n4.414017 2.592384 0.000000\n-4.414017 2.592384 0.000000\n0.000000 1.809664 9.529923\nLi Mn Al H O\n1 3 2 6 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.664830 0.335170 0.000000 Mn\n0.335170 0.664830 0.000000 Mn\n0.166814 0.833186 0.500000 Al\n0.833186 0.166814 0.500000 Al\n0.224967 0.224967 0.293058 H\n0.918737 0.569982 0.293429 H\n0.569982 0.918737 0.293429 H\n0.430018 0.081263 0.706571 H\n0.081263 0.430018 0.706571 H\n0.775033 0.775033 0.706942 H\n0.170268 0.170268 0.395796 O\n0.326054 0.326054 0.108834 O\n0.899231 0.536452 0.396161 O\n0.962457 0.625891 0.101113 O\n0.536452 0.899231 0.396161 O\n0.625891 0.962457 0.101113 O\n0.374109 0.037543 0.898887 O\n0.463548 0.100769 0.603839 O\n0.037543 0.374109 0.898887 O\n0.100769 0.463548 0.603839 O\n0.673946 0.673946 0.891166 O\n0.829732 0.829732 0.604204 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Al",
"H",
"O"
],
"chemical_system": "Al-H-Li-Mn-O",
"density": 3.226375825735103,
"density_atomic": 0.11004201154452799,
"volume": 218.0985213114585,
"volume_molar": 5.4725833120227625,
"formula_full": "Li1 Mn3 Al2 H6 O12",
"formula_reduced": "LiMn3Al2(HO2)6",
"formula_anonymous": "AB2C3D6E12",
"energy": -165.80267519,
"energy_per_atom": -6.908444799583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.55467519,
"band_gap": 0.5024,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0013177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.106000Z",
"spacegroup": 12
},
{
"id": "mp-1235337",
"created_at": "2022-09-04T14:40:17.446686Z",
"structure_string": "K2 Li1 S2 O4 F2\n1.0\n5.162788 -0.204597 -1.715133\n-0.466446 6.678547 -0.618442\n-0.448170 -0.848229 7.193766\nK Li S O F\n2 1 2 4 2\ndirect\n0.157054 0.144006 0.287760 K\n0.815137 0.880634 0.702977 K\n0.873283 0.497364 0.954835 Li\n0.407977 0.234486 0.836431 S\n0.560969 0.766499 0.168510 S\n0.473434 0.415194 0.758827 O\n0.635420 0.979051 0.304856 O\n0.631531 0.605452 0.283234 O\n0.302062 0.038266 0.669769 O\n0.003274 0.766925 0.047273 F\n0.959304 0.245040 0.948490 F\n",
"nsites": 11,
"nelements": 5,
"elements": [
"K",
"Li",
"S",
"O",
"F"
],
"chemical_system": "F-K-Li-O-S",
"density": 1.7473659564097066,
"density_atomic": 0.04606813538365718,
"volume": 238.77675769578218,
"volume_molar": 13.072247682367397,
"formula_full": "K2 Li1 S2 O4 F2",
"formula_reduced": "K2LiS2(O2F)2",
"formula_anonymous": "AB2C2D2E4",
"energy": -58.93164126,
"energy_per_atom": -5.357421932727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.25964126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.989746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.962000Z",
"spacegroup": 1
},
{
"id": "mp-1221610",
"created_at": "2022-09-04T14:40:17.455773Z",
"structure_string": "Mn1 Ge1 Te2\n1.0\n4.167517 0.000000 0.000000\n0.000000 4.167517 0.000000\n0.000000 0.000000 5.949536\nMn Ge Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"Te"
],
"chemical_system": "Ge-Mn-Te",
"density": 6.151177517994309,
"density_atomic": 0.038709907581988424,
"volume": 103.33271893062295,
"volume_molar": 15.5571044628432,
"formula_full": "Mn1 Ge1 Te2",
"formula_reduced": "MnGeTe2",
"formula_anonymous": "ABC2",
"energy": -21.12995016,
"energy_per_atom": -5.28248754,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.28595016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9997206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.421000Z",
"spacegroup": 123
},
{
"id": "mp-1518091",
"created_at": "2022-09-04T14:40:17.461141Z",
"structure_string": "Ba1 Eu1 Co4 O12\n1.0\n5.394850 0.000000 -0.000000\n0.000000 5.394850 0.000000\n0.000000 0.000000 7.654275\nBa Eu Co O\n1 1 4 12\ndirect\n0.500000 0.500000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Eu\n-0.000000 0.500000 0.752189 Co\n-0.000000 0.500000 0.247811 Co\n0.500000 -0.000000 0.247811 Co\n0.500000 -0.000000 0.752189 Co\n0.238507 0.238507 0.270879 O\n0.238507 0.238507 0.729121 O\n0.761493 0.761493 0.270879 O\n0.761493 0.761493 0.729121 O\n0.761493 0.238507 0.729121 O\n0.761493 0.238507 0.270879 O\n0.238507 0.761493 0.729121 O\n0.238507 0.761493 0.270879 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Co",
"O"
],
"chemical_system": "Ba-Co-Eu-O",
"density": 5.344603435294428,
"density_atomic": 0.08079969025084704,
"volume": 222.7731312350087,
"volume_molar": 7.453173076906528,
"formula_full": "Ba1 Eu1 Co4 O12",
"formula_reduced": "BaEu(CoO3)4",
"formula_anonymous": "ABC4D12",
"energy": -117.49598187,
"energy_per_atom": -6.527554548333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.69998187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9631502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.942000Z",
"spacegroup": 123
},
{
"id": "mp-1247162",
"created_at": "2022-09-04T14:40:17.467159Z",
"structure_string": "Ca22 Pb4 N20\n1.0\n15.821201 0.000000 0.000000\n0.000000 15.821201 0.000000\n0.000000 0.000000 3.646798\nCa Pb N\n22 4 20\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.018580 0.769004 0.500000 Ca\n0.981420 0.230996 0.500000 Ca\n0.481420 0.269004 0.000000 Ca\n0.518580 0.730996 0.000000 Ca\n0.769004 0.018580 0.500000 Ca\n0.230996 0.981420 0.500000 Ca\n0.269004 0.481420 0.000000 Ca\n0.730996 0.518580 0.000000 Ca\n0.709431 0.709431 0.500000 Ca\n0.290569 0.290569 0.500000 Ca\n0.790569 0.209431 0.000000 Ca\n0.209431 0.790569 0.000000 Ca\n0.398352 0.880164 0.500000 Ca\n0.601648 0.119836 0.500000 Ca\n0.101648 0.380164 0.000000 Ca\n0.898352 0.619836 0.000000 Ca\n0.880164 0.398352 0.500000 Ca\n0.119836 0.601648 0.500000 Ca\n0.380164 0.101648 0.000000 Ca\n0.619836 0.898352 0.000000 Ca\n0.362130 0.637870 0.500000 Pb\n0.637870 0.362130 0.500000 Pb\n0.137870 0.137870 0.000000 Pb\n0.862130 0.862130 0.000000 Pb\n0.074385 0.925615 0.500000 N\n0.925615 0.074385 0.500000 N\n0.425615 0.425615 0.000000 N\n0.574385 0.574385 0.000000 N\n0.453281 0.172244 0.500000 N\n0.546719 0.827756 0.500000 N\n0.046719 0.672244 0.000000 N\n0.953281 0.327756 0.000000 N\n0.172244 0.453281 0.500000 N\n0.827756 0.546719 0.500000 N\n0.672244 0.046719 0.000000 N\n0.327756 0.953281 0.000000 N\n0.868187 0.131813 0.500000 N\n0.131813 0.868187 0.500000 N\n0.631813 0.631813 0.000000 N\n0.368187 0.368187 0.000000 N\n0.731840 0.268160 0.500000 N\n0.268160 0.731840 0.500000 N\n0.768160 0.768160 0.000000 N\n0.231840 0.231840 0.000000 N\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"N"
],
"chemical_system": "Ca-N-Pb",
"density": 3.621207420422208,
"density_atomic": 0.0503926535285389,
"volume": 912.8314700464978,
"volume_molar": 11.950433919082029,
"formula_full": "Ca22 Pb4 N20",
"formula_reduced": "Ca11(PbN5)2",
"formula_anonymous": "A2B10C11",
"energy": -254.86340716,
"energy_per_atom": -5.540508851304348,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -247.64340716,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5666131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.760000Z",
"spacegroup": 136
},
{
"id": "mp-756596",
"created_at": "2022-09-04T14:40:17.498450Z",
"structure_string": "Li2 Mn3 Cu1 O8\n1.0\n5.180557 -2.935817 0.000000\n5.180557 2.935817 0.000000\n3.516833 0.000000 4.805110\nLi Mn Cu O\n2 3 1 8\ndirect\n0.119804 0.119804 0.119804 Li\n0.880196 0.880196 0.880196 Li\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Cu\n0.263076 0.263076 0.263076 O\n0.708120 0.253583 0.253583 O\n0.253583 0.253583 0.708120 O\n0.253583 0.708120 0.253583 O\n0.746417 0.291880 0.746417 O\n0.746417 0.746417 0.291880 O\n0.291880 0.746417 0.746417 O\n0.736924 0.736924 0.736924 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.206206028113295,
"density_atomic": 0.09578318374039013,
"volume": 146.16344386657133,
"volume_molar": 6.287263092363222,
"formula_full": "Li2 Mn3 Cu1 O8",
"formula_reduced": "Li2Mn3CuO8",
"formula_anonymous": "AB2C3D8",
"energy": -100.93134935,
"energy_per_atom": -7.2093820964285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.43134935,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9975744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.525000Z",
"spacegroup": 166
},
{
"id": "mp-1079776",
"created_at": "2022-09-04T14:40:17.052818Z",
"structure_string": "Hf2 Co7\n1.0\n-4.646129 0.000000 -0.459862\n-2.323065 -4.117405 -0.229931\n-2.314946 0.000000 5.819817\nHf Co\n2 7\ndirect\n0.100350 0.000000 0.231858 Hf\n0.899650 0.000000 0.768142 Hf\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.544900 0.663947 0.845064 Co\n0.208847 0.336053 0.845064 Co\n0.455100 0.336053 0.154936 Co\n0.791153 0.663947 0.154936 Co\n0.500000 0.000000 0.500000 Co\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Hf",
"Co"
],
"chemical_system": "Co-Hf",
"density": 11.042572326012923,
"density_atomic": 0.07777644018811866,
"volume": 115.71627575434937,
"volume_molar": 7.742885564618524,
"formula_full": "Hf2 Co7",
"formula_reduced": "Hf2Co7",
"formula_anonymous": "A2B7",
"energy": -71.96801822,
"energy_per_atom": -7.996446468888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.96801822,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5630133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.527000Z",
"spacegroup": 12
},
{
"id": "mp-1207972",
"created_at": "2022-09-04T14:40:17.061094Z",
"structure_string": "U4 Ti6 Ge8\n1.0\n7.127392 0.000000 0.000000\n0.000000 7.019499 0.000000\n0.000000 2.437284 6.687114\nU Ti Ge\n4 6 8\ndirect\n0.662414 0.942903 0.678860 U\n0.337586 0.057097 0.321140 U\n0.162414 0.557097 0.321140 U\n0.837586 0.442903 0.678860 U\n0.665548 0.750409 0.249489 Ti\n0.334452 0.249591 0.750511 Ti\n0.165548 0.749591 0.750511 Ti\n0.834452 0.250409 0.249489 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.954514 0.862927 0.409482 Ge\n0.045486 0.137073 0.590518 Ge\n0.454514 0.637073 0.590518 Ge\n0.545486 0.362927 0.409482 Ge\n0.863312 0.638882 0.996510 Ge\n0.136688 0.361118 0.003490 Ge\n0.363312 0.861118 0.003490 Ge\n0.636688 0.138882 0.996510 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti-U",
"density": 9.03544226698341,
"density_atomic": 0.05380182609439817,
"volume": 334.56113494025357,
"volume_molar": 11.193190263530896,
"formula_full": "U4 Ti6 Ge8",
"formula_reduced": "U2Ti3Ge4",
"formula_anonymous": "A2B3C4",
"energy": -138.57088625,
"energy_per_atom": -7.698382569444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.57088625,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9809708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.048000Z",
"spacegroup": 14
}
]
}