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=61",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=59",
"results": [
{
"id": "mp-569890",
"created_at": "2022-09-04T14:40:18.680515Z",
"structure_string": "Cr6 Cl18\n1.0\n3.035115 -5.256973 0.000000\n3.035115 5.256973 0.000000\n0.000000 0.000000 19.682371\nCr Cl\n6 18\ndirect\n0.222280 0.777720 0.666667 Cr\n0.888902 0.111098 0.666667 Cr\n0.222280 0.444560 0.333333 Cr\n0.888902 0.777804 0.333333 Cr\n0.222196 0.111098 0.000000 Cr\n0.555440 0.777720 0.000000 Cr\n0.249521 0.444339 0.931995 Cl\n0.194942 0.083607 0.598714 Cl\n0.249521 0.805182 0.068005 Cl\n0.555661 0.472020 0.265338 Cl\n0.555661 0.083641 0.734662 Cl\n0.194818 0.444339 0.734672 Cl\n0.555661 0.750479 0.401338 Cl\n0.916393 0.111335 0.265380 Cl\n0.916393 0.805058 0.734620 Cl\n0.527980 0.083641 0.932004 Cl\n0.194942 0.111335 0.401286 Cl\n0.527980 0.444339 0.067996 Cl\n0.888665 0.083607 0.067953 Cl\n0.916359 0.472020 0.401329 Cl\n0.916359 0.444339 0.598671 Cl\n0.555661 0.805182 0.598662 Cl\n0.194818 0.750479 0.265328 Cl\n0.888665 0.805058 0.932047 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr",
"density": 2.5119679605120666,
"density_atomic": 0.038211398680665164,
"volume": 628.0848340718791,
"volume_molar": 15.760063666675414,
"formula_full": "Cr6 Cl18",
"formula_reduced": "CrCl3",
"formula_anonymous": "AB3",
"energy": -129.43247544,
"energy_per_atom": -5.393019809999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.38047544,
"band_gap": 1.4598,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0002413,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.062000Z",
"spacegroup": 153
},
{
"id": "mp-778114",
"created_at": "2022-09-04T14:40:18.699004Z",
"structure_string": "Sm4 Ge4 O14\n1.0\n0.000000 5.089980 5.089980\n5.089980 0.000000 5.089980\n5.089980 5.089980 0.000000\nSm Ge O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Sm\n0.125000 0.125000 0.625000 Sm\n0.625000 0.125000 0.125000 Sm\n0.125000 0.125000 0.125000 Sm\n0.625000 0.625000 0.625000 Ge\n0.125000 0.625000 0.625000 Ge\n0.625000 0.125000 0.625000 Ge\n0.625000 0.625000 0.125000 Ge\n0.299226 0.700774 0.700774 O\n0.549226 0.950774 0.950774 O\n0.700774 0.299226 0.700774 O\n0.000000 0.000000 0.000000 O\n0.299226 0.700774 0.299226 O\n0.700774 0.700774 0.299226 O\n0.299226 0.299226 0.700774 O\n0.250000 0.250000 0.250000 O\n0.549226 0.549226 0.950774 O\n0.950774 0.549226 0.950774 O\n0.950774 0.950774 0.549226 O\n0.549226 0.950774 0.549226 O\n0.700774 0.299226 0.299226 O\n0.950774 0.549226 0.549226 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sm",
"density": 7.026382691001053,
"density_atomic": 0.08341505827607405,
"volume": 263.74134904021594,
"volume_molar": 7.219488764329414,
"formula_full": "Sm4 Ge4 O14",
"formula_reduced": "Sm2Ge2O7",
"formula_anonymous": "A2B2C7",
"energy": -171.95761034999998,
"energy_per_atom": -7.81625501590909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.33961035,
"band_gap": 2.5577,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.087000Z",
"spacegroup": 227
},
{
"id": "mp-1026508",
"created_at": "2022-09-04T14:40:18.776387Z",
"structure_string": "Ba1 Mg14 Ga1\n1.0\n6.568935 0.000000 0.000000\n-3.284467 5.688864 0.000000\n0.000000 -0.000000 10.598780\nBa Mg Ga\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ba\n0.178605 0.839302 0.125000 Mg\n0.161900 0.830950 0.625000 Mg\n0.660698 0.321395 0.125000 Mg\n0.669050 0.338100 0.625000 Mg\n0.660698 0.839302 0.125000 Mg\n0.669050 0.830950 0.625000 Mg\n0.336833 0.163167 0.390632 Mg\n0.336833 0.163167 0.859368 Mg\n0.336833 0.673666 0.390632 Mg\n0.336833 0.673666 0.859368 Mg\n0.826334 0.163167 0.390632 Mg\n0.826334 0.163167 0.859368 Mg\n0.833333 0.666667 0.369394 Mg\n0.833333 0.666667 0.880606 Mg\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 2.294637158920509,
"density_atomic": 0.04039648605984424,
"volume": 396.07405397333935,
"volume_molar": 14.907585652570544,
"formula_full": "Ba1 Mg14 Ga1",
"formula_reduced": "BaMg14Ga",
"formula_anonymous": "ABC14",
"energy": -26.39194114,
"energy_per_atom": -1.64949632125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.39194114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.085000Z",
"spacegroup": 187
},
{
"id": "mp-1095862",
"created_at": "2022-09-04T14:40:22.790547Z",
"structure_string": "La2 Cd1 Ir1\n1.0\n-5.733746 6.569143 9.277575\n5.733746 -6.569143 9.277575\n5.733746 6.569143 -9.277575\nLa Cd Ir\n2 1 1\ndirect\n0.000000 0.288095 0.288095 La\n0.000000 0.711905 0.711905 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-La",
"density": 0.691923162396687,
"density_atomic": 0.002861662155004379,
"volume": 1397.7890412412708,
"volume_molar": 210.44205897850944,
"formula_full": "La2 Cd1 Ir1",
"formula_reduced": "La2CdIr",
"formula_anonymous": "ABC2",
"energy": -13.56876209,
"energy_per_atom": -3.3921905225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.56876209,
"band_gap": 0.0348999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0005138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.127000Z",
"spacegroup": 71
},
{
"id": "mp-1227762",
"created_at": "2022-09-04T14:40:18.601453Z",
"structure_string": "Ca8 Ho4 Mn12 O36\n1.0\n-7.629025 0.000000 0.000000\n3.717847 8.484194 0.000000\n-0.191523 -3.272302 -10.269967\nCa Ho Mn O\n8 4 12 36\ndirect\n0.553867 0.148625 0.397129 Ca\n0.221706 0.479692 0.729694 Ca\n0.885834 0.812261 0.063528 Ca\n0.114166 0.187739 0.936472 Ca\n0.778294 0.520308 0.270306 Ca\n0.446133 0.851375 0.602871 Ca\n0.713431 0.486901 0.736172 Ca\n0.286569 0.513099 0.263828 Ca\n0.372490 0.817566 0.068649 Ho\n0.039398 0.152851 0.402555 Ho\n0.960602 0.847149 0.597445 Ho\n0.627510 0.182434 0.931351 Ho\n0.000000 0.500000 0.000000 Mn\n0.664012 0.830764 0.332544 Mn\n0.335988 0.169236 0.667456 Mn\n0.500000 0.500000 0.500000 Mn\n0.166165 0.834259 0.833521 Mn\n0.833835 0.165741 0.166479 Mn\n0.500000 0.500000 0.000000 Mn\n0.167317 0.833337 0.334301 Mn\n0.832683 0.166663 0.665699 Mn\n0.666859 0.832597 0.831921 Mn\n0.333141 0.167403 0.168079 Mn\n0.000000 0.500000 0.500000 Mn\n0.748685 0.495421 0.955015 O\n0.419571 0.838099 0.284546 O\n0.081439 0.160179 0.616119 O\n0.448458 0.899440 0.853467 O\n0.112175 0.224819 0.183596 O\n0.781790 0.566064 0.514714 O\n0.580429 0.161901 0.715454 O\n0.251315 0.504579 0.044985 O\n0.918561 0.839821 0.383881 O\n0.887825 0.775181 0.816404 O\n0.551542 0.100560 0.146533 O\n0.218210 0.433936 0.485286 O\n0.801871 0.032606 0.981963 O\n0.476393 0.359033 0.319040 O\n0.134846 0.699450 0.650541 O\n0.384424 0.360168 0.820375 O\n0.065758 0.701293 0.151264 O\n0.729663 0.033374 0.483465 O\n0.523607 0.640967 0.680960 O\n0.198129 0.967394 0.018037 O\n0.865154 0.300550 0.349459 O\n0.934242 0.298707 0.848736 O\n0.615576 0.639832 0.179625 O\n0.270337 0.966626 0.516535 O\n0.435177 0.293495 0.044957 O\n0.097158 0.632453 0.381682 O\n0.769993 0.961274 0.710535 O\n0.902842 0.367547 0.618318 O\n0.564823 0.706505 0.955043 O\n0.230007 0.038726 0.289465 O\n0.462055 0.313620 0.564272 O\n0.133481 0.650222 0.898936 O\n0.800147 0.982439 0.232762 O\n0.866519 0.349778 0.101064 O\n0.537945 0.686380 0.435728 O\n0.199853 0.017561 0.767238 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Ca",
"Ho",
"Mn",
"O"
],
"chemical_system": "Ca-Ho-Mn-O",
"density": 5.534621170684864,
"density_atomic": 0.0902615056420529,
"volume": 664.7351999416012,
"volume_molar": 6.671881570291776,
"formula_full": "Ca8 Ho4 Mn12 O36",
"formula_reduced": "Ca2HoMn3O9",
"formula_anonymous": "AB2C3D9",
"energy": -484.39574223,
"energy_per_atom": -8.0732623705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -439.64774223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 40.0010526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.116000Z",
"spacegroup": 2
},
{
"id": "mp-774670",
"created_at": "2022-09-04T14:40:18.602453Z",
"structure_string": "Li4 Mn3 Cu3 Sn2 O16\n1.0\n5.956068 0.027891 0.046760\n-2.953903 5.107390 0.001253\n0.076450 0.046447 9.682473\nLi Mn Cu Sn O\n4 3 3 2 16\ndirect\n0.340254 0.670021 0.896586 Li\n0.998314 0.999192 0.996509 Li\n0.998594 0.999155 0.492159 Li\n0.673613 0.336631 0.390079 Li\n0.659396 0.829310 0.215343 Mn\n0.830515 0.661306 0.714921 Mn\n0.830123 0.168997 0.714941 Mn\n0.167977 0.828068 0.214191 Cu\n0.168533 0.340306 0.213875 Cu\n0.339296 0.169684 0.715188 Cu\n0.325612 0.662948 0.489256 Sn\n0.656711 0.328391 0.995288 Sn\n0.147332 0.831890 0.599999 O\n0.035593 0.518704 0.339891 O\n0.350769 0.675243 0.107936 O\n0.985234 0.993913 0.305601 O\n0.983733 0.991698 0.808262 O\n0.147803 0.315270 0.600574 O\n0.499392 0.970417 0.339428 O\n0.499058 0.528249 0.340026 O\n0.310235 0.154232 0.096828 O\n0.676913 0.838660 0.606250 O\n0.533849 0.497475 0.837221 O\n0.532778 0.036237 0.837032 O\n0.685346 0.342416 0.610301 O\n0.827124 0.677119 0.099598 O\n0.968507 0.484301 0.830838 O\n0.827393 0.150466 0.099719 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Cu",
"Sn",
"O"
],
"chemical_system": "Cu-Li-Mn-O-Sn",
"density": 4.929250764580679,
"density_atomic": 0.09481460366303239,
"volume": 295.31315765987875,
"volume_molar": 6.351490727528079,
"formula_full": "Li4 Mn3 Cu3 Sn2 O16",
"formula_reduced": "Li4Mn3Cu3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -183.93068815,
"energy_per_atom": -6.568953148214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.93468815,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9856453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.870000Z",
"spacegroup": 8
},
{
"id": "mp-8800",
"created_at": "2022-09-04T14:40:18.605198Z",
"structure_string": "Tl2 Cu6 Se4\n1.0\n1.972985 7.513764 0.000000\n-1.972985 7.513764 0.000000\n0.000000 3.057558 8.089580\nTl Cu Se\n2 6 4\ndirect\n0.860333 0.860333 0.051925 Tl\n0.139667 0.139667 0.948075 Tl\n0.687540 0.687540 0.549656 Cu\n0.312460 0.312460 0.450344 Cu\n0.581626 0.581626 0.373500 Cu\n0.418374 0.418374 0.626500 Cu\n0.057182 0.057182 0.591142 Cu\n0.942818 0.942818 0.408858 Cu\n0.474444 0.474444 0.223355 Se\n0.525556 0.525556 0.776645 Se\n0.192799 0.192799 0.322805 Se\n0.807201 0.807201 0.677195 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tl",
"density": 7.6563330834393,
"density_atomic": 0.05003154824917227,
"volume": 239.84866389175815,
"volume_molar": 12.036686792117475,
"formula_full": "Tl2 Cu6 Se4",
"formula_reduced": "TlCu3Se2",
"formula_anonymous": "AB2C3",
"energy": -47.35897569,
"energy_per_atom": -3.9465813075000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.47097569,
"band_gap": 0.1048,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024435,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.019000Z",
"spacegroup": 12
},
{
"id": "mp-1272141",
"created_at": "2022-09-04T14:40:18.612621Z",
"structure_string": "Mn1 O2\n1.0\n7.170820 -0.078091 -0.046252\n6.605766 2.791168 -0.046252\n6.605766 1.300900 2.469902\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.620818 0.620818 0.620818 O\n0.379182 0.379182 0.379182 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 2.7966437080467568,
"density_atomic": 0.05811729907352655,
"volume": 51.61974227681466,
"volume_molar": 10.36204513286336,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy": -24.43337208,
"energy_per_atom": -8.14445736,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.39137208,
"band_gap": 1.9395,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9997434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.733000Z",
"spacegroup": 166
},
{
"id": "mp-1018652",
"created_at": "2022-09-04T14:40:18.613249Z",
"structure_string": "K2 Cd2 Sb2\n1.0\n4.852242 0.000000 0.000000\n0.000000 4.852242 0.000000\n0.000000 0.000000 8.408167\nK Cd Sb\n2 2 2\ndirect\n0.000000 0.500000 0.342812 K\n0.500000 0.000000 0.657188 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.788254 Sb\n0.500000 0.000000 0.211746 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Cd",
"Sb"
],
"chemical_system": "Cd-K-Sb",
"density": 4.5844126601630215,
"density_atomic": 0.030308539983417628,
"volume": 197.9640062927054,
"volume_molar": 19.869451855136628,
"formula_full": "K2 Cd2 Sb2",
"formula_reduced": "KCdSb",
"formula_anonymous": "ABC",
"energy": -15.08637428,
"energy_per_atom": -2.5143957133333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.70237428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013829,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.510000Z",
"spacegroup": 129
},
{
"id": "mp-753839",
"created_at": "2022-09-04T14:40:18.617435Z",
"structure_string": "Co4 P4 O16\n1.0\n5.294224 0.000000 0.000000\n0.000000 7.801998 0.000000\n0.000000 1.971618 8.552536\nCo P O\n4 4 16\ndirect\n0.871307 0.030167 0.066393 Co\n0.310938 0.514261 0.271509 Co\n0.128693 0.030167 0.566393 Co\n0.689062 0.514261 0.771509 Co\n0.673064 0.747705 0.027896 P\n0.810238 0.259685 0.314250 P\n0.326936 0.747705 0.527896 P\n0.189762 0.259685 0.814250 P\n0.163768 0.115275 0.968147 O\n0.412254 0.677745 0.097639 O\n0.724757 0.173408 0.179887 O\n0.860396 0.779185 0.157145 O\n0.074673 0.342836 0.272227 O\n0.617781 0.395402 0.340616 O\n0.836232 0.115275 0.468147 O\n0.216618 0.620828 0.435108 O\n0.349513 0.939586 0.426464 O\n0.587746 0.677745 0.597639 O\n0.275243 0.173408 0.679887 O\n0.139604 0.779185 0.657145 O\n0.925327 0.342836 0.772227 O\n0.382219 0.395402 0.840616 O\n0.783382 0.620828 0.935108 O\n0.650487 0.939586 0.926464 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.8937266895512086,
"density_atomic": 0.06793728447482579,
"volume": 353.26699007072057,
"volume_molar": 8.864264750280839,
"formula_full": "Co4 P4 O16",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy": -177.89862006,
"energy_per_atom": -7.4124425025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.35462006,
"band_gap": 0.9736,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9997468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.778000Z",
"spacegroup": 7
},
{
"id": "mp-1064865",
"created_at": "2022-09-04T14:40:18.619783Z",
"structure_string": "Ba2 Sr1 Np1\n1.0\n0.000000 4.663540 4.663540\n4.663540 0.000000 4.663540\n4.663540 4.663540 0.000000\nBa Sr Np\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Np\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Np"
],
"chemical_system": "Ba-Np-Sr",
"density": 4.905659709840672,
"density_atomic": 0.01971890874860619,
"volume": 202.85098181625978,
"volume_molar": 30.53992914504292,
"formula_full": "Ba2 Sr1 Np1",
"formula_reduced": "Ba2SrNp",
"formula_anonymous": "ABC2",
"energy": -15.82241979,
"energy_per_atom": -3.9556049475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.82241979,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1057946,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.424000Z",
"spacegroup": 225
},
{
"id": "mp-756056",
"created_at": "2022-09-04T14:40:15.969691Z",
"structure_string": "Li5 V5 Ni2 O12\n1.0\n4.473240 2.592607 0.000000\n-4.473240 2.592607 0.000000\n0.000000 1.673940 9.752307\nLi V Ni O\n5 5 2 12\ndirect\n0.837518 0.661283 0.263050 Li\n0.688416 0.855223 0.736681 Li\n0.338717 0.162482 0.736950 Li\n0.144777 0.311584 0.263319 Li\n0.078770 0.921230 0.500000 Li\n0.576978 0.423022 0.000000 V\n0.425353 0.574647 0.500000 V\n0.915962 0.084038 0.000000 V\n0.003394 0.514409 0.740263 V\n0.485591 0.996606 0.259737 V\n0.753400 0.246600 0.500000 Ni\n0.246289 0.753711 0.000000 Ni\n0.055162 0.229025 0.620758 O\n0.770975 0.944838 0.379242 O\n0.849850 0.357576 0.121943 O\n0.642424 0.150150 0.878057 O\n0.715648 0.534612 0.625288 O\n0.465388 0.284352 0.374712 O\n0.551522 0.729763 0.117131 O\n0.270237 0.448478 0.882869 O\n0.369135 0.847501 0.627912 O\n0.152499 0.630865 0.372088 O\n0.216542 0.054547 0.117390 O\n0.945453 0.783458 0.882610 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-V",
"density": 4.39570876153957,
"density_atomic": 0.10609990443536413,
"volume": 226.20190025355544,
"volume_molar": 5.675915347943294,
"formula_full": "Li5 V5 Ni2 O12",
"formula_reduced": "Li5V5(NiO6)2",
"formula_anonymous": "A2B5C5D12",
"energy": -179.71674076,
"energy_per_atom": -7.488197531666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.89074076,
"band_gap": 0.9321000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.974000Z",
"spacegroup": 5
}
]
}