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=12123",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12121",
"results": [
{
"id": "mp-755125",
"created_at": "2022-09-04T14:45:07.742140Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n2.862649 -2.975617 3.901467\n5.716154 -0.000034 -7.796201\n2.862644 2.975642 3.901490\nLi Mn Si O\n4 4 4 16\ndirect\n0.500176 0.999972 0.999935 Li\n0.000164 0.499983 0.499872 Li\n0.750005 0.249954 0.249929 Li\n0.250012 0.749955 0.749920 Li\n0.499931 0.500087 0.500222 Mn\n0.500160 0.000197 0.500081 Mn\n0.000371 0.000099 0.000029 Mn\n0.999283 0.499748 0.000141 Mn\n0.067232 0.182966 0.567222 Si\n0.567095 0.683016 0.067180 Si\n0.432695 0.317097 0.932771 Si\n0.932821 0.817053 0.432818 Si\n0.886307 0.128698 0.386201 O\n0.385934 0.628588 0.886212 O\n0.378066 0.135531 0.877932 O\n0.877957 0.635445 0.377928 O\n0.122062 0.364519 0.622051 O\n0.622173 0.864609 0.122047 O\n0.613564 0.371248 0.113848 O\n0.113937 0.871358 0.613829 O\n0.359701 0.122958 0.394447 O\n0.859538 0.622868 0.894490 O\n0.894647 0.122892 0.859652 O\n0.394502 0.622910 0.359679 O\n0.605554 0.377059 0.640282 O\n0.105694 0.877051 0.140242 O\n0.140132 0.377024 0.105551 O\n0.640284 0.877113 0.605491 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.851165851598374,
"density_atomic": 0.10544529630651614,
"volume": 265.5405312590477,
"volume_molar": 5.711151631168447,
"formula_full": "Li4 Mn4 Si4 O16",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
"energy": -217.19538518,
"energy_per_atom": -7.7569780421428565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.53138518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.946000Z",
"spacegroup": 74
},
{
"id": "mp-1176350",
"created_at": "2022-09-04T14:45:06.966888Z",
"structure_string": "Na10 Mn4 As2 C8 O32\n1.0\n0.000000 7.112710 7.195045\n7.052946 0.000000 7.195045\n7.052946 7.112710 0.000000\nNa Mn As C O\n10 4 2 8 32\ndirect\n0.789157 0.210843 0.210843 Na\n0.540633 0.540633 0.959367 Na\n0.536972 0.963028 0.963028 Na\n0.791998 0.791998 0.208002 Na\n0.211759 0.788241 0.211759 Na\n0.788241 0.211759 0.788241 Na\n0.959367 0.959367 0.540633 Na\n0.210843 0.789157 0.789157 Na\n0.208002 0.208002 0.791998 Na\n0.963028 0.536972 0.536972 Na\n0.369987 0.377396 0.875920 Mn\n0.377396 0.369987 0.376697 Mn\n0.376697 0.875920 0.377396 Mn\n0.875920 0.376697 0.369987 Mn\n0.000000 0.000000 0.000000 As\n0.750000 0.750000 0.750000 As\n0.587518 0.229680 0.591448 C\n0.591355 0.591448 0.229680 C\n0.229680 0.587518 0.591355 C\n0.591448 0.591355 0.587518 C\n0.160145 0.153337 0.163868 C\n0.522649 0.163868 0.153337 C\n0.153337 0.160145 0.522649 C\n0.163868 0.522649 0.160145 C\n0.518220 0.281116 0.014430 O\n0.572769 0.479423 0.219943 O\n0.727865 0.219943 0.479423 O\n0.281116 0.518220 0.186234 O\n0.722662 0.568160 0.243335 O\n0.209703 0.926848 0.933637 O\n0.929811 0.933637 0.926848 O\n0.566736 0.223139 0.734264 O\n0.475860 0.734264 0.223139 O\n0.223139 0.566736 0.475860 O\n0.734264 0.475860 0.566736 O\n0.926848 0.209703 0.929811 O\n0.933637 0.929811 0.209703 O\n0.272138 0.175071 0.023849 O\n0.528943 0.023849 0.175071 O\n0.568160 0.722662 0.465843 O\n0.186234 0.014430 0.281116 O\n0.219943 0.727865 0.572769 O\n0.479423 0.572769 0.727865 O\n0.833062 0.809487 0.540977 O\n0.816474 0.540977 0.809487 O\n0.018273 0.265676 0.189250 O\n0.526801 0.189250 0.265676 O\n0.189250 0.526801 0.018273 O\n0.265676 0.018273 0.526801 O\n0.809487 0.833062 0.816474 O\n0.540977 0.816474 0.833062 O\n0.014430 0.186234 0.518220 O\n0.465843 0.243335 0.568160 O\n0.175071 0.272138 0.528943 O\n0.023849 0.528943 0.272138 O\n0.243335 0.465843 0.722662 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Na",
"Mn",
"As",
"C",
"O"
],
"chemical_system": "As-C-Mn-Na-O",
"density": 2.777719935554964,
"density_atomic": 0.07757447697402141,
"volume": 721.8869167336263,
"volume_molar": 7.763043973879102,
"formula_full": "Na10 Mn4 As2 C8 O32",
"formula_reduced": "Na5Mn2As(CO4)4",
"formula_anonymous": "AB2C4D5E16",
"energy": -398.88544747,
"energy_per_atom": -7.122954419107143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -370.22944747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9997849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.924000Z",
"spacegroup": 22
},
{
"id": "mp-1516659",
"created_at": "2022-09-04T14:45:06.280471Z",
"structure_string": "Ba1 Sm1 Eu1 Sb1 O6\n1.0\n0.000000 -4.277488 -4.277488\n4.277488 0.000000 -4.277488\n4.277488 -4.277488 0.000000\nBa Sm Eu Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 -0.000000 Sb\n0.765839 0.234161 0.234161 O\n0.234161 0.765839 0.765839 O\n0.765839 0.234161 0.765839 O\n0.234161 0.765839 0.234161 O\n0.765839 0.765839 0.234161 O\n0.234161 0.234161 0.765839 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sm",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-O-Sb-Sm",
"density": 6.9740858726191925,
"density_atomic": 0.06388569220814086,
"volume": 156.52957108799575,
"volume_molar": 9.426431101943368,
"formula_full": "Ba1 Sm1 Eu1 Sb1 O6",
"formula_reduced": "BaSmEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.51431442,
"energy_per_atom": -8.051431442,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.39231442,
"band_gap": 0.5838999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.003000Z",
"spacegroup": 216
},
{
"id": "mp-758145",
"created_at": "2022-09-04T14:45:08.871324Z",
"structure_string": "Li4 Ti4 P8 O28\n1.0\n8.176574 0.000000 0.000000\n0.000000 6.859656 0.000000\n0.000000 3.085558 9.143605\nLi Ti P O\n4 4 8 28\ndirect\n0.131367 0.793486 0.537293 Li\n0.368633 0.793486 0.037293 Li\n0.631367 0.206514 0.962707 Li\n0.868633 0.206514 0.462707 Li\n0.773492 0.714705 0.993831 Ti\n0.726508 0.714705 0.493831 Ti\n0.273492 0.285295 0.506169 Ti\n0.226508 0.285295 0.006169 Ti\n0.536994 0.944107 0.706400 P\n0.963006 0.944107 0.206400 P\n0.918824 0.465403 0.793729 P\n0.418824 0.534597 0.706271 P\n0.581176 0.465403 0.293729 P\n0.081176 0.534597 0.206271 P\n0.036994 0.055893 0.793600 P\n0.463006 0.055893 0.293600 P\n0.586558 0.908675 0.866540 O\n0.937910 0.857631 0.849608 O\n0.677342 0.934416 0.603989 O\n0.399815 0.768116 0.711558 O\n0.913442 0.908675 0.366540 O\n0.562090 0.857631 0.349608 O\n0.822658 0.934416 0.103989 O\n0.770812 0.486794 0.885550 O\n0.916334 0.608582 0.633315 O\n0.100185 0.768116 0.211558 O\n0.081974 0.481073 0.862904 O\n0.581974 0.518927 0.637096 O\n0.416334 0.391418 0.866685 O\n0.270812 0.513206 0.614450 O\n0.729188 0.486794 0.385550 O\n0.583666 0.608582 0.133315 O\n0.418026 0.481073 0.362904 O\n0.918026 0.518927 0.137096 O\n0.899815 0.231884 0.788442 O\n0.083666 0.391418 0.366685 O\n0.229188 0.513206 0.114450 O\n0.177342 0.065584 0.896011 O\n0.437910 0.142369 0.650392 O\n0.086558 0.091325 0.633460 O\n0.600185 0.231884 0.288442 O\n0.322658 0.065584 0.396011 O\n0.062090 0.142369 0.150392 O\n0.413442 0.091325 0.133460 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Ti",
"P",
"O"
],
"chemical_system": "Li-O-P-Ti",
"density": 2.9626581315829066,
"density_atomic": 0.08579490769700712,
"volume": 512.8509509607514,
"volume_molar": 7.019228671785232,
"formula_full": "Li4 Ti4 P8 O28",
"formula_reduced": "LiTiP2O7",
"formula_anonymous": "ABC2D7",
"energy": -345.19948791,
"energy_per_atom": -7.845442907045455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -325.96348791,
"band_gap": 0.0988999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0072484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.425000Z",
"spacegroup": 14
},
{
"id": "mp-1097148",
"created_at": "2022-09-04T14:45:07.746854Z",
"structure_string": "Sc1 Ti1 Co2\n1.0\n-4.392267 5.209414 7.289224\n4.392267 -5.209414 7.289224\n4.392267 5.209414 -7.289224\nSc Ti Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ti\n0.000000 0.266708 0.266708 Co\n0.000000 0.733292 0.733292 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ti",
"Co"
],
"chemical_system": "Co-Sc-Ti",
"density": 0.5244120818653935,
"density_atomic": 0.0059957166203520075,
"volume": 667.1429377469746,
"volume_molar": 100.44071695380495,
"formula_full": "Sc1 Ti1 Co2",
"formula_reduced": "ScTiCo2",
"formula_anonymous": "ABC2",
"energy": -17.90289487,
"energy_per_atom": -4.4757237175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.90289487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.813000Z",
"spacegroup": 71
},
{
"id": "mp-866774",
"created_at": "2022-09-04T14:45:06.945902Z",
"structure_string": "Gd3 Ni19 B10\n1.0\n4.354167 6.556156 0.000000\n-4.354167 6.556156 0.000000\n0.000000 0.141118 5.754883\nGd Ni B\n3 19 10\ndirect\n0.374420 0.374420 0.887969 Gd\n0.625580 0.625580 0.112031 Gd\n0.000000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Ni\n0.378653 0.878269 0.426209 Ni\n0.121731 0.621347 0.573791 Ni\n0.621347 0.121731 0.573791 Ni\n0.878269 0.378653 0.426209 Ni\n0.712195 0.229121 0.198944 Ni\n0.770879 0.287805 0.801056 Ni\n0.287805 0.770879 0.801056 Ni\n0.229121 0.712195 0.198944 Ni\n0.817288 0.817288 0.771286 Ni\n0.182712 0.182712 0.228714 Ni\n0.044855 0.518368 0.198682 Ni\n0.481632 0.955145 0.801318 Ni\n0.955145 0.481632 0.801318 Ni\n0.518368 0.044855 0.198682 Ni\n0.378069 0.378069 0.376319 Ni\n0.621931 0.621931 0.623681 Ni\n0.837155 0.837155 0.201562 Ni\n0.162845 0.162845 0.798438 Ni\n0.652004 0.857121 0.475239 B\n0.142879 0.347996 0.524761 B\n0.616817 0.383183 0.500000 B\n0.383183 0.616817 0.500000 B\n0.857121 0.652004 0.475239 B\n0.347996 0.142879 0.524761 B\n0.700106 0.063574 0.931495 B\n0.936426 0.299894 0.068505 B\n0.299894 0.936426 0.068505 B\n0.063574 0.700106 0.931495 B\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Gd",
"Ni",
"B"
],
"chemical_system": "B-Gd-Ni",
"density": 8.566566885571678,
"density_atomic": 0.0973933093900418,
"volume": 328.5646642506627,
"volume_molar": 6.183320802748845,
"formula_full": "Gd3 Ni19 B10",
"formula_reduced": "Gd3Ni19B10",
"formula_anonymous": "A3B10C19",
"energy": -232.06028616,
"energy_per_atom": -7.2518839425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.06028616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.1016554,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.862000Z",
"spacegroup": 12
},
{
"id": "mp-558328",
"created_at": "2022-09-04T14:45:06.960535Z",
"structure_string": "Rb2 W6 O18\n1.0\n7.491812 0.000000 0.000000\n-3.745906 6.488100 0.000000\n0.000000 0.000000 7.696854\nRb W O\n2 6 18\ndirect\n0.000000 0.000000 0.999736 Rb\n0.000000 0.000000 0.494984 Rb\n0.000027 0.490619 0.242039 W\n0.000027 0.517532 0.741965 W\n0.490592 0.999973 0.242039 W\n0.509381 0.509408 0.242039 W\n0.482468 0.482495 0.741965 W\n0.517505 0.999973 0.741965 W\n0.422790 0.211664 0.242461 O\n0.495043 0.496064 0.491822 O\n0.211632 0.422731 0.241299 O\n0.784950 0.577879 0.741315 O\n0.001021 0.504957 0.491822 O\n0.503936 0.998979 0.491822 O\n0.999039 0.503744 0.992013 O\n0.504706 0.000961 0.992013 O\n0.792929 0.215050 0.741315 O\n0.215040 0.792938 0.742493 O\n0.207062 0.422102 0.742493 O\n0.577269 0.788901 0.241299 O\n0.788336 0.211127 0.242461 O\n0.496256 0.495294 0.992013 O\n0.577898 0.784960 0.742493 O\n0.211099 0.788368 0.241299 O\n0.422121 0.207071 0.741315 O\n0.788873 0.577210 0.242461 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 6.932704445578998,
"density_atomic": 0.06949534156357043,
"volume": 374.12579627681464,
"volume_molar": 8.665531565869468,
"formula_full": "Rb2 W6 O18",
"formula_reduced": "Rb(WO3)3",
"formula_anonymous": "AB3C9",
"energy": -226.60969579,
"energy_per_atom": -8.715757530384614,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.61569579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.971642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.943000Z",
"spacegroup": 185
},
{
"id": "mp-756031",
"created_at": "2022-09-04T14:45:06.965860Z",
"structure_string": "Li4 Co4 O2 F12\n1.0\n5.335740 0.000000 0.000000\n0.847824 6.629698 0.000000\n2.194165 2.437642 7.704649\nLi Co O F\n4 4 2 12\ndirect\n0.101102 0.429749 0.258497 Li\n0.566513 0.254017 0.346584 Li\n0.433487 0.745983 0.653416 Li\n0.898898 0.570251 0.741503 Li\n0.300463 0.001050 0.191033 Co\n0.780072 0.790871 0.294996 Co\n0.219928 0.209129 0.705004 Co\n0.699537 0.998950 0.808967 Co\n0.444856 0.880371 0.370580 O\n0.555144 0.119629 0.629420 O\n0.388910 0.286073 0.154437 F\n0.925100 0.078324 0.261971 F\n0.695744 0.918689 0.064125 F\n0.138749 0.731623 0.205222 F\n0.735432 0.509622 0.291510 F\n0.193028 0.295053 0.475133 F\n0.806972 0.704947 0.524867 F\n0.264568 0.490378 0.708490 F\n0.861251 0.268377 0.794778 F\n0.304256 0.081311 0.935875 F\n0.074900 0.921676 0.738029 F\n0.611090 0.713927 0.845563 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.1893703807362273,
"density_atomic": 0.08072004915637822,
"volume": 272.54691033920955,
"volume_molar": 7.46052662620827,
"formula_full": "Li4 Co4 O2 F12",
"formula_reduced": "Li2Co2OF6",
"formula_anonymous": "AB2C2D6",
"energy": -118.53765663,
"energy_per_atom": -5.388075301363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.06765663000002,
"band_gap": 0.6906999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.7503814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.047000Z",
"spacegroup": 2
},
{
"id": "mp-1226571",
"created_at": "2022-09-04T14:45:08.512954Z",
"structure_string": "Ce1 Sm3 S4\n1.0\n1.996779 6.671198 0.000000\n-1.996779 6.671198 0.000000\n0.000000 1.269132 6.848999\nCe Sm S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.751547 0.751547 0.749108 Sm\n0.500000 0.500000 0.500000 Sm\n0.248453 0.248453 0.250892 Sm\n0.374446 0.374446 0.874619 S\n0.124957 0.124957 0.625147 S\n0.875043 0.875043 0.374853 S\n0.625554 0.625554 0.125381 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Sm",
"S"
],
"chemical_system": "Ce-S-Sm",
"density": 6.547302497461421,
"density_atomic": 0.043842878232039716,
"volume": 182.4697721180568,
"volume_molar": 13.735733151750768,
"formula_full": "Ce1 Sm3 S4",
"formula_reduced": "CeSm3S4",
"formula_anonymous": "AB3C4",
"energy": -54.9198218,
"energy_per_atom": -6.864977725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.9078218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5698778,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.861000Z",
"spacegroup": 12
},
{
"id": "mp-1177389",
"created_at": "2022-09-04T14:45:06.992154Z",
"structure_string": "Li4 Mn3 Cr2 Sn1 P6 O24\n1.0\n8.620503 0.000000 0.000000\n4.091885 7.766609 0.000000\n4.212441 2.615009 7.399593\nLi Mn Cr Sn P O\n4 3 2 1 6 24\ndirect\n0.747237 0.149123 0.350223 Li\n0.296204 0.844484 0.641363 Li\n0.637229 0.307631 0.846391 Li\n0.859892 0.631731 0.318428 Li\n0.152924 0.150887 0.149682 Mn\n0.347254 0.353655 0.348522 Mn\n0.653333 0.657910 0.659651 Mn\n0.014600 0.997901 0.003674 Cr\n0.493795 0.499795 0.500351 Cr\n0.850121 0.846620 0.851198 Sn\n0.243968 0.556475 0.948991 P\n0.572744 0.955894 0.247246 P\n0.924127 0.243282 0.538598 P\n0.063563 0.741558 0.449892 P\n0.435642 0.049113 0.750716 P\n0.747535 0.437016 0.052869 P\n0.100737 0.282662 0.482791 O\n0.287569 0.537543 0.104391 O\n0.066839 0.903547 0.271845 O\n0.579520 0.093141 0.300934 O\n0.014430 0.803640 0.610269 O\n0.254900 0.593106 0.440576 O\n0.248661 0.070049 0.905225 O\n0.448523 0.231307 0.594219 O\n0.161594 0.416861 0.991397 O\n0.602350 0.423865 0.243477 O\n0.103571 0.766725 0.894442 O\n0.418592 0.032307 0.170348 O\n0.595697 0.983555 0.826248 O\n0.901224 0.248148 0.073930 O\n0.409104 0.562822 0.765538 O\n0.810782 0.601075 0.001097 O\n0.567877 0.767925 0.403825 O\n0.775864 0.903452 0.097014 O\n0.745435 0.416172 0.554341 O\n0.926987 0.173511 0.410782 O\n0.458113 0.905315 0.684127 O\n0.886568 0.106130 0.743984 O\n0.678615 0.467017 0.907508 O\n0.916282 0.664051 0.486900 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Li",
"Mn",
"Cr",
"Sn",
"P",
"O"
],
"chemical_system": "Cr-Li-Mn-O-P-Sn",
"density": 3.301879995096932,
"density_atomic": 0.0807398818249103,
"volume": 495.4181142690128,
"volume_molar": 7.458694047954399,
"formula_full": "Li4 Mn3 Cr2 Sn1 P6 O24",
"formula_reduced": "Li4Mn3Cr2Sn(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -309.60151655,
"energy_per_atom": -7.740037913749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.11151655,
"band_gap": 1.915,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.0195302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.383000Z",
"spacegroup": 1
},
{
"id": "mp-1175976",
"created_at": "2022-09-04T14:45:06.282953Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n-5.084252 0.000000 0.000000\n-0.054515 -5.790941 0.000000\n1.078485 1.355009 9.657790\nLi Mn Co O\n9 2 5 16\ndirect\n0.138996 0.181639 0.733484 Li\n0.381140 0.061140 0.267086 Li\n0.601361 0.933604 0.732522 Li\n0.627613 0.432765 0.737927 Li\n0.869756 0.316697 0.262759 Li\n0.134667 0.686771 0.730059 Li\n0.367567 0.570700 0.266742 Li\n0.889123 0.813992 0.267193 Li\n0.249069 0.874452 0.499558 Li\n0.999542 0.995203 0.998482 Mn\n0.499319 0.251889 0.999844 Mn\n0.499839 0.751103 0.001841 Co\n0.740936 0.630883 0.496945 Co\n0.998825 0.497449 0.000410 Co\n0.249891 0.374830 0.499274 Co\n0.759502 0.117947 0.503808 Co\n0.804924 0.230117 0.894291 O\n0.065814 0.115954 0.386228 O\n0.336916 0.985055 0.880219 O\n0.304654 0.470350 0.892067 O\n0.547735 0.338566 0.389929 O\n0.805415 0.719950 0.897810 O\n0.068106 0.578237 0.386567 O\n0.585741 0.833987 0.378016 O\n0.430739 0.172822 0.611241 O\n0.662601 0.040177 0.117754 O\n0.914748 0.918534 0.624687 O\n0.952556 0.412561 0.611414 O\n0.192090 0.274637 0.104038 O\n0.435586 0.632490 0.612589 O\n0.694487 0.516672 0.109738 O\n0.190740 0.768826 0.105478 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.222156320999005,
"density_atomic": 0.11253717582800894,
"volume": 284.35048031510706,
"volume_molar": 5.35124568009745,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.35128916,
"energy_per_atom": -6.51097778625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.83328916,
"band_gap": 0.2753999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9997518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.934000Z",
"spacegroup": 1
},
{
"id": "mp-1379411",
"created_at": "2022-09-04T14:45:06.319470Z",
"structure_string": "Y4 Mo4 O12\n1.0\n5.519375 0.000000 0.000000\n0.000000 5.863007 0.000000\n0.000000 0.000000 8.051045\nY Mo O\n4 4 12\ndirect\n0.521107 0.432561 0.250000 Y\n0.021107 0.067439 0.750000 Y\n0.978893 0.932561 0.250000 Y\n0.478893 0.567439 0.750000 Y\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.181989 0.811665 0.929284 O\n0.681989 0.688335 0.070716 O\n0.318011 0.311665 0.570716 O\n0.818011 0.188335 0.429284 O\n0.818011 0.188335 0.070716 O\n0.318011 0.311665 0.929284 O\n0.681989 0.688335 0.429284 O\n0.181989 0.811665 0.570716 O\n0.638213 0.935959 0.750000 O\n0.138213 0.564041 0.250000 O\n0.861787 0.435959 0.750000 O\n0.361787 0.064041 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Mo",
"O"
],
"chemical_system": "Mo-O-Y",
"density": 5.936242918990277,
"density_atomic": 0.07676573753133648,
"volume": 260.53289713833357,
"volume_molar": 7.84482889588823,
"formula_full": "Y4 Mo4 O12",
"formula_reduced": "YMoO3",
"formula_anonymous": "ABC3",
"energy": -186.56327968,
"energy_per_atom": -9.328163984,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.51127968,
"band_gap": 2.2163000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9978243,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.800000Z",
"spacegroup": 62
}
]
}