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_gap_direct&page=10388",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=10386",
"results": [
{
"id": "mp-1184442",
"created_at": "2022-09-04T14:46:13.797514Z",
"structure_string": "Eu1 Gd1 Rh2\n1.0\n0.000000 3.501457 3.501457\n3.501457 0.000000 3.501457\n3.501457 3.501457 0.000000\nEu Gd Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Gd",
"Rh"
],
"chemical_system": "Eu-Gd-Rh",
"density": 9.960955975060541,
"density_atomic": 0.046589023062342694,
"volume": 85.85713408601497,
"volume_molar": 12.926093667904404,
"formula_full": "Eu1 Gd1 Rh2",
"formula_reduced": "EuGdRh2",
"formula_anonymous": "ABC2",
"energy": -41.32711616,
"energy_per_atom": -10.33177904,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.32711616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4296279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.431000Z",
"spacegroup": 225
},
{
"id": "mp-1221467",
"created_at": "2022-09-04T14:46:13.838943Z",
"structure_string": "Mo2 O8\n1.0\n5.440780 3.726629 0.000000\n-5.440780 3.726629 0.000000\n0.000000 3.399273 3.718219\nMo O\n2 8\ndirect\n0.121340 0.878660 0.250000 Mo\n0.878660 0.121340 0.750000 Mo\n0.066715 0.630156 0.167836 O\n0.933285 0.369844 0.832164 O\n0.630156 0.066715 0.667836 O\n0.369844 0.933285 0.332164 O\n0.751450 0.801527 0.153906 O\n0.248550 0.198473 0.846094 O\n0.801527 0.751450 0.653906 O\n0.198473 0.248550 0.346094 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 3.522795085579684,
"density_atomic": 0.06632201521508536,
"volume": 150.77949558030673,
"volume_molar": 9.08015346106405,
"formula_full": "Mo2 O8",
"formula_reduced": "MoO4",
"formula_anonymous": "AB4",
"energy": -71.60818202,
"energy_per_atom": -7.160818202,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.70818202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.326000Z",
"spacegroup": 15
},
{
"id": "mp-1147649",
"created_at": "2022-09-04T14:46:13.841266Z",
"structure_string": "Li1 Ni1 H2\n1.0\n3.233365 0.000000 0.000000\n0.000000 3.233365 0.000000\n0.000000 0.000000 2.765783\nLi Ni H\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"H"
],
"chemical_system": "H-Li-Ni",
"density": 3.885000930712998,
"density_atomic": 0.1383351109001757,
"volume": 28.915291092558913,
"volume_molar": 4.3532988268940995,
"formula_full": "Li1 Ni1 H2",
"formula_reduced": "LiNiH2",
"formula_anonymous": "ABC2",
"energy": -15.69956734,
"energy_per_atom": -3.924891835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.34156734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.696000Z",
"spacegroup": 123
},
{
"id": "mp-1218139",
"created_at": "2022-09-04T14:46:13.829726Z",
"structure_string": "Sr2 La2 V2 O8\n1.0\n3.949383 -0.001340 0.000902\n-0.002457 7.845687 -0.006273\n-1.973365 -1.965790 6.338918\nSr La V O\n2 2 2 8\ndirect\n0.643466 0.321564 0.287092 Sr\n0.644656 0.821512 0.287721 Sr\n0.356587 0.678757 0.713407 La\n0.355522 0.178172 0.712399 La\n0.002813 0.001262 0.004771 V\n0.001897 0.501237 0.004759 V\n0.834260 0.416134 0.667658 O\n0.833915 0.917864 0.668186 O\n0.174080 0.587872 0.349298 O\n0.174361 0.086189 0.347242 O\n0.492800 0.496622 0.987299 O\n0.493628 0.996586 0.985509 O\n0.996622 0.747984 0.992472 O\n0.995392 0.248247 0.992188 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"La",
"V",
"O"
],
"chemical_system": "La-O-Sr-V",
"density": 5.77465792205933,
"density_atomic": 0.07129015464666134,
"volume": 196.38055309865493,
"volume_molar": 8.447366666333957,
"formula_full": "Sr2 La2 V2 O8",
"formula_reduced": "SrLaVO4",
"formula_anonymous": "ABCD4",
"energy": -116.06118264,
"energy_per_atom": -8.290084474285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.16518264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.041215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.484000Z",
"spacegroup": 107
},
{
"id": "mp-1199460",
"created_at": "2022-09-04T14:46:13.831747Z",
"structure_string": "B48 Cl48\n1.0\n12.599810 0.000000 0.000000\n0.000000 12.599810 0.000000\n0.000000 0.000000 12.599810\nB Cl\n48 48\ndirect\n0.404239 0.077883 0.440202 B\n0.595761 0.577883 0.059798 B\n0.095761 0.922117 0.940202 B\n0.904239 0.422117 0.559798 B\n0.440202 0.404239 0.077883 B\n0.059798 0.595761 0.577883 B\n0.940202 0.095761 0.922117 B\n0.559798 0.904239 0.422117 B\n0.077883 0.440202 0.404239 B\n0.577883 0.059798 0.595761 B\n0.922117 0.940202 0.095761 B\n0.422117 0.559798 0.904239 B\n0.595761 0.922117 0.559798 B\n0.404239 0.422117 0.940202 B\n0.904239 0.077883 0.059798 B\n0.095761 0.577883 0.440202 B\n0.559798 0.595761 0.922117 B\n0.940202 0.404239 0.422117 B\n0.059798 0.904239 0.077883 B\n0.440202 0.095761 0.577883 B\n0.922117 0.559798 0.595761 B\n0.422117 0.940202 0.404239 B\n0.077883 0.059798 0.904239 B\n0.577883 0.440202 0.095761 B\n0.034945 0.369108 0.524573 B\n0.965055 0.869108 0.975427 B\n0.465055 0.630892 0.024573 B\n0.534945 0.130892 0.475427 B\n0.524573 0.034945 0.369108 B\n0.975427 0.965055 0.869108 B\n0.024573 0.465055 0.630892 B\n0.475427 0.534945 0.130892 B\n0.369108 0.524573 0.034945 B\n0.869108 0.975427 0.965055 B\n0.630892 0.024573 0.465055 B\n0.130892 0.475427 0.534945 B\n0.965055 0.630892 0.475427 B\n0.034945 0.130892 0.024573 B\n0.534945 0.369108 0.975427 B\n0.465055 0.869108 0.524573 B\n0.475427 0.965055 0.630892 B\n0.024573 0.034945 0.130892 B\n0.975427 0.534945 0.369108 B\n0.524573 0.465055 0.869108 B\n0.630892 0.475427 0.965055 B\n0.130892 0.024573 0.034945 B\n0.369108 0.975427 0.534945 B\n0.869108 0.524573 0.465055 B\n0.306970 0.156563 0.379485 Cl\n0.693030 0.656563 0.120515 Cl\n0.193030 0.843437 0.879485 Cl\n0.806970 0.343437 0.620515 Cl\n0.379485 0.306970 0.156563 Cl\n0.120515 0.693030 0.656563 Cl\n0.879485 0.193030 0.843437 Cl\n0.620515 0.806970 0.343437 Cl\n0.156563 0.379485 0.306970 Cl\n0.656563 0.120515 0.693030 Cl\n0.843437 0.879485 0.193030 Cl\n0.343437 0.620515 0.806970 Cl\n0.693030 0.843437 0.620515 Cl\n0.306970 0.343437 0.879485 Cl\n0.806970 0.156563 0.120515 Cl\n0.193030 0.656563 0.379485 Cl\n0.620515 0.693030 0.843437 Cl\n0.879485 0.306970 0.343437 Cl\n0.120515 0.806970 0.156563 Cl\n0.379485 0.193030 0.656563 Cl\n0.843437 0.620515 0.693030 Cl\n0.343437 0.879485 0.306970 Cl\n0.156563 0.120515 0.806970 Cl\n0.656563 0.379485 0.193030 Cl\n0.069272 0.235980 0.548144 Cl\n0.930728 0.735980 0.951856 Cl\n0.430728 0.764020 0.048144 Cl\n0.569272 0.264020 0.451856 Cl\n0.548144 0.069272 0.235980 Cl\n0.951856 0.930728 0.735980 Cl\n0.048144 0.430728 0.764020 Cl\n0.451856 0.569272 0.264020 Cl\n0.235980 0.548144 0.069272 Cl\n0.735980 0.951856 0.930728 Cl\n0.764020 0.048144 0.430728 Cl\n0.264020 0.451856 0.569272 Cl\n0.930728 0.764020 0.451856 Cl\n0.069272 0.264020 0.048144 Cl\n0.569272 0.235980 0.951856 Cl\n0.430728 0.735980 0.548144 Cl\n0.451856 0.930728 0.764020 Cl\n0.048144 0.069272 0.264020 Cl\n0.951856 0.569272 0.235980 Cl\n0.548144 0.430728 0.735980 Cl\n0.764020 0.451856 0.930728 Cl\n0.264020 0.048144 0.069272 Cl\n0.235980 0.951856 0.569272 Cl\n0.735980 0.548144 0.430728 Cl\n",
"nsites": 96,
"nelements": 2,
"elements": [
"B",
"Cl"
],
"chemical_system": "B-Cl",
"density": 1.8434931388811349,
"density_atomic": 0.047993148782089566,
"volume": 2000.2855081645732,
"volume_molar": 12.54791759411999,
"formula_full": "B48 Cl48",
"formula_reduced": "BCl",
"formula_anonymous": "AB",
"energy": -499.99694484,
"energy_per_atom": -5.20830150875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -470.52494484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5917384,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.679000Z",
"spacegroup": 205
},
{
"id": "mp-1182868",
"created_at": "2022-09-04T14:46:13.836880Z",
"structure_string": "Al2 O6\n1.0\n2.711400 -4.696282 0.000000\n2.711400 4.696282 0.000000\n0.000000 0.000000 4.019635\nAl O\n2 6\ndirect\n0.333333 0.666667 0.000000 Al\n0.666667 0.333333 0.000000 Al\n0.609560 0.000000 0.781343 O\n0.390440 0.390440 0.781343 O\n0.000000 0.609560 0.781343 O\n0.390440 0.000000 0.218657 O\n0.609560 0.609560 0.218657 O\n0.000000 0.390440 0.218657 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 2.4325324437980003,
"density_atomic": 0.07814939373438012,
"volume": 102.3680366247112,
"volume_molar": 7.705934073485576,
"formula_full": "Al2 O6",
"formula_reduced": "AlO3",
"formula_anonymous": "AB3",
"energy": -49.07202661,
"energy_per_atom": -6.13400332625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.95002661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9987827,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.904000Z",
"spacegroup": 162
},
{
"id": "mp-22363",
"created_at": "2022-09-04T14:46:13.849238Z",
"structure_string": "Ba6 Ni2 Ru4 O18\n1.0\n2.916800 -5.052046 0.000000\n2.916800 5.052046 0.000000\n0.000000 0.000000 14.353865\nBa Ni Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.410822 Ba\n0.666667 0.333333 0.910822 Ba\n0.666667 0.333333 0.589178 Ba\n0.333333 0.666667 0.089178 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.653683 Ru\n0.666667 0.333333 0.153683 Ru\n0.666667 0.333333 0.346317 Ru\n0.333333 0.666667 0.846317 Ru\n0.829613 0.170387 0.416974 O\n0.829613 0.659225 0.416974 O\n0.340775 0.170387 0.416974 O\n0.659225 0.829613 0.916974 O\n0.170387 0.340775 0.583026 O\n0.170387 0.829613 0.916974 O\n0.170387 0.340775 0.916974 O\n0.829613 0.170387 0.083026 O\n0.340775 0.170387 0.083026 O\n0.659225 0.829613 0.583026 O\n0.170387 0.829613 0.583026 O\n0.829613 0.659225 0.083026 O\n0.515540 0.031079 0.250000 O\n0.484460 0.515540 0.750000 O\n0.031079 0.515540 0.750000 O\n0.968921 0.484460 0.250000 O\n0.515540 0.484460 0.250000 O\n0.484460 0.968921 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"Ru",
"O"
],
"chemical_system": "Ba-Ni-O-Ru",
"density": 6.412491566646376,
"density_atomic": 0.07091668955043821,
"volume": 423.03159087344375,
"volume_molar": 8.491852620555365,
"formula_full": "Ba6 Ni2 Ru4 O18",
"formula_reduced": "Ba3NiRu2O9",
"formula_anonymous": "AB2C3D9",
"energy": -214.82602182,
"energy_per_atom": -7.160867393999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.37802182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.165000Z",
"spacegroup": 194
},
{
"id": "mp-850979",
"created_at": "2022-09-04T14:46:13.854609Z",
"structure_string": "V6 O8 F4\n1.0\n3.212100 3.459301 0.000000\n-3.212100 3.459301 0.000000\n0.000000 0.018091 9.141213\nV O F\n6 8 4\ndirect\n0.003233 0.003233 0.673283 V\n0.000000 0.000000 0.000000 V\n0.996767 0.996767 0.326717 V\n0.455918 0.455918 0.834483 V\n0.500000 0.500000 0.500000 V\n0.544082 0.544082 0.165517 V\n0.803269 0.803269 0.163690 O\n0.691879 0.299195 0.669751 O\n0.692099 0.307901 0.000000 O\n0.700805 0.308121 0.330249 O\n0.299195 0.691879 0.669751 O\n0.307901 0.692099 0.000000 O\n0.308121 0.700805 0.330249 O\n0.196731 0.196731 0.836310 O\n0.798389 0.798389 0.835342 F\n0.805925 0.805925 0.501320 F\n0.194075 0.194075 0.498680 F\n0.201611 0.201611 0.164658 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.1658104647214635,
"density_atomic": 0.08860562045812512,
"volume": 203.14738395750834,
"volume_molar": 6.796567451210452,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy": -150.44272507000005,
"energy_per_atom": -8.357929170555558,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.89872507,
"band_gap": 0.8601000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9985571,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.224000Z",
"spacegroup": 12
},
{
"id": "mp-755385",
"created_at": "2022-09-04T14:46:13.838564Z",
"structure_string": "Fe6 O2 F10\n1.0\n5.788861 0.000000 0.000000\n1.865664 5.522058 0.000000\n2.247204 1.556398 6.990721\nFe O F\n6 2 10\ndirect\n0.651254 0.665074 0.846414 Fe\n0.338173 0.339811 0.649334 Fe\n0.650341 0.663066 0.327965 Fe\n0.338660 0.363928 0.169603 Fe\n0.996794 0.002742 0.495435 Fe\n0.020915 0.980412 0.005820 Fe\n0.422647 0.422493 0.381229 O\n0.307355 0.679610 0.008103 O\n0.029829 0.631963 0.675327 F\n0.361933 0.987660 0.316420 F\n0.885170 0.894360 0.311287 F\n0.248440 0.244695 0.948215 F\n0.559044 0.550400 0.637482 F\n0.772452 0.768901 0.036437 F\n0.109063 0.118312 0.688063 F\n0.977407 0.368957 0.317952 F\n0.628164 0.039591 0.672665 F\n0.702360 0.278027 0.012249 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.139324068619161,
"density_atomic": 0.08054831316604973,
"volume": 223.4683669028939,
"volume_molar": 7.4764331160919575,
"formula_full": "Fe6 O2 F10",
"formula_reduced": "Fe3OF5",
"formula_anonymous": "AB3C5",
"energy": -122.51088917,
"energy_per_atom": -6.806160509444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.98088917,
"band_gap": 1.1912,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0000544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.087000Z",
"spacegroup": 1
},
{
"id": "mp-1079623",
"created_at": "2022-09-04T14:46:13.839531Z",
"structure_string": "Ta3 Mn3 Si3\n1.0\n3.203657 -5.548898 0.000000\n3.203657 5.548898 0.000000\n0.000000 0.000000 3.476731\nTa Mn Si\n3 3 3\ndirect\n0.410616 0.000000 0.500000 Ta\n0.000000 0.410616 0.500000 Ta\n0.589384 0.589384 0.500000 Ta\n0.753532 0.000000 0.000000 Mn\n0.000000 0.753532 0.000000 Mn\n0.246468 0.246468 0.000000 Mn\n0.333333 0.666667 0.000000 Si\n0.666667 0.333333 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Ta",
"density": 10.638329306969558,
"density_atomic": 0.07280960417584242,
"volume": 123.6100663075177,
"volume_molar": 8.271080207297834,
"formula_full": "Ta3 Mn3 Si3",
"formula_reduced": "TaMnSi",
"formula_anonymous": "ABC",
"energy": -84.09190041000001,
"energy_per_atom": -9.343544490000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.30490041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9529287,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.811000Z",
"spacegroup": 189
},
{
"id": "mp-1214379",
"created_at": "2022-09-04T14:46:13.844619Z",
"structure_string": "Bi8 Se4 O28\n1.0\n-0.230061 0.000000 6.009267\n7.908896 0.000000 -2.852911\n0.000000 13.082436 0.000000\nBi Se O\n8 4 28\ndirect\n0.444805 0.044600 0.133954 Bi\n0.555195 0.955400 0.866046 Bi\n0.055195 0.955400 0.633954 Bi\n0.944805 0.044600 0.366046 Bi\n0.205565 0.714128 0.377402 Bi\n0.794435 0.285872 0.622598 Bi\n0.294435 0.285872 0.877402 Bi\n0.705565 0.714128 0.122598 Bi\n0.081455 0.371823 0.139249 Se\n0.918545 0.628177 0.860751 Se\n0.418545 0.628177 0.639249 Se\n0.581455 0.371823 0.360751 Se\n0.930214 0.122158 0.535099 O\n0.069786 0.877842 0.464901 O\n0.569786 0.877842 0.035099 O\n0.430214 0.122158 0.964901 O\n0.428823 0.114427 0.597644 O\n0.571177 0.885573 0.402356 O\n0.071177 0.885573 0.097644 O\n0.928823 0.114427 0.902356 O\n0.313691 0.290727 0.417575 O\n0.686309 0.709273 0.582425 O\n0.186309 0.709273 0.917575 O\n0.813691 0.290727 0.082425 O\n0.135053 0.224775 0.212028 O\n0.864947 0.775225 0.787972 O\n0.364947 0.775225 0.712028 O\n0.635053 0.224775 0.287972 O\n0.116185 0.552750 0.201983 O\n0.883815 0.447250 0.798017 O\n0.383815 0.447250 0.701983 O\n0.616185 0.552750 0.298017 O\n0.299194 0.423432 0.049443 O\n0.700806 0.576568 0.950557 O\n0.200806 0.576568 0.549443 O\n0.799194 0.423432 0.450557 O\n0.368222 0.097027 0.769595 O\n0.631778 0.902973 0.230405 O\n0.131778 0.902973 0.269595 O\n0.868222 0.097027 0.730405 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Bi",
"Se",
"O"
],
"chemical_system": "Bi-O-Se",
"density": 6.595995130601866,
"density_atomic": 0.06523391075639275,
"volume": 613.1780164058324,
"volume_molar": 9.23161081433378,
"formula_full": "Bi8 Se4 O28",
"formula_reduced": "Bi2SeO7",
"formula_anonymous": "AB2C7",
"energy": -231.44223685,
"energy_per_atom": -5.78605592125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.20623685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4381385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.702000Z",
"spacegroup": 14
},
{
"id": "mp-1096146",
"created_at": "2022-09-04T14:46:13.849108Z",
"structure_string": "Y2 Rh1 Pb1\n1.0\n-5.268432 6.407531 9.102130\n5.268432 -6.407531 9.102130\n5.268432 6.407531 -9.102130\nY Rh Pb\n2 1 1\ndirect\n0.000000 0.228854 0.228854 Y\n0.000000 0.771146 0.771146 Y\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Rh",
"Pb"
],
"chemical_system": "Pb-Rh-Y",
"density": 0.6592044118384887,
"density_atomic": 0.003254504460245529,
"volume": 1229.0657606590678,
"volume_molar": 185.0401753496344,
"formula_full": "Y2 Rh1 Pb1",
"formula_reduced": "Y2RhPb",
"formula_anonymous": "ABC2",
"energy": -17.07662455,
"energy_per_atom": -4.2691561375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.07662455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1148599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.938000Z",
"spacegroup": 71
}
]
}