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=-elements&page=38",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=36",
"results": [
{
"id": "mp-1203018",
"created_at": "2022-09-04T14:48:15.280906Z",
"structure_string": "Sr8 Li4 Ta4 Al4 N16 O2\n1.0\n10.090111 0.000000 0.000000\n0.000000 6.052111 0.000000\n0.000000 5.504155 9.481740\nSr Li Ta Al N O\n8 4 4 4 16 2\ndirect\n0.760317 0.432658 0.069407 Sr\n0.739683 0.432658 0.569407 Sr\n0.239683 0.567342 0.930593 Sr\n0.260317 0.567342 0.430593 Sr\n0.934551 0.767749 0.697040 Sr\n0.565449 0.767749 0.197040 Sr\n0.065449 0.232251 0.302960 Sr\n0.434551 0.232251 0.802960 Sr\n0.006546 0.809971 0.996635 Li\n0.493454 0.809971 0.496635 Li\n0.993454 0.190029 0.003365 Li\n0.506546 0.190029 0.503365 Li\n0.597531 0.773241 0.760625 Ta\n0.902469 0.773241 0.260625 Ta\n0.402469 0.226759 0.239375 Ta\n0.097531 0.226759 0.739375 Ta\n0.755825 0.117709 0.899701 Al\n0.744175 0.117709 0.399701 Al\n0.244175 0.882291 0.100299 Al\n0.255825 0.882291 0.600299 Al\n0.634227 0.887578 0.896156 N\n0.865773 0.887578 0.396156 N\n0.365773 0.112422 0.103844 N\n0.134227 0.112422 0.603844 N\n0.666288 0.430035 0.833319 N\n0.833712 0.430035 0.333319 N\n0.333712 0.569965 0.166681 N\n0.166288 0.569965 0.666681 N\n0.811272 0.990363 0.085057 N\n0.688728 0.990363 0.585057 N\n0.188728 0.009637 0.914943 N\n0.311272 0.009637 0.414943 N\n0.910004 0.193030 0.787743 N\n0.589996 0.193030 0.287743 N\n0.089996 0.806970 0.212257 N\n0.410004 0.806970 0.712257 N\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 38,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Ta",
"Al",
"N",
"O"
],
"chemical_system": "Al-Li-N-O-Sr-Ta",
"density": 5.209607772044781,
"density_atomic": 0.06562853741211169,
"volume": 579.0164080814504,
"volume_molar": 9.176100820568672,
"formula_full": "Sr8 Li4 Ta4 Al4 N16 O2",
"formula_reduced": "Sr4Li2Ta2Al2N8O",
"formula_anonymous": "AB2C2D2E4F8",
"energy": -283.72032335,
"energy_per_atom": -7.466324298684211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.57032335,
"band_gap": 2.5814,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:39.976000Z",
"spacegroup": 14
},
{
"id": "mp-1232976",
"created_at": "2022-09-04T14:41:36.302867Z",
"structure_string": "Sr2 Li1 Pr2 Fe2 Ru2 O12\n1.0\n0.060082 -5.736705 -0.112289\n-5.630161 0.056060 0.062802\n0.092068 -0.155838 -8.125614\nSr Li Pr Fe Ru O\n2 1 2 2 2 12\ndirect\n0.442121 0.501775 0.689039 Sr\n0.977124 0.011057 0.261701 Sr\n0.729786 0.464828 0.888181 Li\n0.026848 0.984672 0.759656 Pr\n0.475003 0.477299 0.247658 Pr\n0.049275 0.499912 0.023804 Fe\n0.499807 0.003131 0.497097 Fe\n0.984129 0.510613 0.500639 Ru\n0.514117 0.992873 0.000380 Ru\n0.984649 0.408748 0.743957 O\n0.484276 0.081710 0.756807 O\n0.027694 0.575075 0.264892 O\n0.516943 0.903043 0.247634 O\n0.241965 0.257623 0.460252 O\n0.739372 0.267663 0.059768 O\n0.790843 0.780095 0.957931 O\n0.234675 0.770623 0.537080 O\n0.759201 0.780757 0.547838 O\n0.294650 0.727670 0.942035 O\n0.253819 0.214082 0.053291 O\n0.711797 0.286751 0.452030 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Pr",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Li-O-Pr-Ru-Sr",
"density": 6.1399052601035695,
"density_atomic": 0.08006470986041687,
"volume": 262.28784237913254,
"volume_molar": 7.521591935446807,
"formula_full": "Sr2 Li1 Pr2 Fe2 Ru2 O12",
"formula_reduced": "Sr2LiPr2Fe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -158.43462702,
"energy_per_atom": -7.544506048571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.67862702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.9972393,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.180000Z",
"spacegroup": 1
},
{
"id": "mp-1235879",
"created_at": "2022-09-04T14:41:16.885150Z",
"structure_string": "Sr2 Li1 Pr2 Fe2 Ru2 O12\n1.0\n0.109661 -5.906955 -0.078309\n-5.518335 0.114707 0.057899\n0.080511 -0.108215 -7.937308\nSr Li Pr Fe Ru O\n2 1 2 2 2 12\ndirect\n0.551855 0.510939 0.754901 Sr\n0.903629 0.033841 0.220557 Sr\n0.215384 0.867533 0.361643 Li\n0.071344 0.984963 0.747466 Pr\n0.436222 0.451650 0.250213 Pr\n0.996060 0.510254 0.996459 Fe\n0.548669 0.985147 0.515132 Fe\n0.000848 0.489654 0.500694 Ru\n0.493991 0.997208 0.996929 Ru\n0.980852 0.408004 0.746548 O\n0.482406 0.068218 0.748945 O\n0.039345 0.591988 0.253797 O\n0.501233 0.899742 0.254531 O\n0.195055 0.192953 0.449396 O\n0.701568 0.304311 0.040722 O\n0.790123 0.802192 0.952165 O\n0.300708 0.699282 0.543744 O\n0.814572 0.794793 0.544543 O\n0.275342 0.717014 0.953743 O\n0.213193 0.214295 0.033369 O\n0.701885 0.297447 0.451172 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Pr",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Li-O-Pr-Ru-Sr",
"density": 6.228520690211466,
"density_atomic": 0.08122026005218402,
"volume": 258.55617781213084,
"volume_molar": 7.414579510248766,
"formula_full": "Sr2 Li1 Pr2 Fe2 Ru2 O12",
"formula_reduced": "Sr2LiPr2Fe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -159.43446067,
"energy_per_atom": -7.5921171747619045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.67846067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0113972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.056000Z",
"spacegroup": 1
},
{
"id": "mp-1235305",
"created_at": "2022-09-04T14:47:21.080520Z",
"structure_string": "Sr2 Li1 Pr2 Fe2 Ru2 O12\n1.0\n-0.091341 -5.939375 0.061514\n-5.515182 -0.095138 0.061520\n0.086322 0.085416 -7.934650\nSr Li Pr Fe Ru O\n2 1 2 2 2 12\ndirect\n0.563406 0.512056 0.753510 Sr\n0.945314 0.041516 0.251399 Sr\n0.728989 0.643834 0.136538 Li\n0.066441 0.984307 0.744330 Pr\n0.398955 0.464904 0.279747 Pr\n0.044728 0.512551 0.983311 Fe\n0.508838 0.993089 0.504904 Fe\n0.990026 0.502289 0.502886 Ru\n0.504996 0.011493 0.000990 Ru\n0.989331 0.413404 0.750400 O\n0.471835 0.072416 0.753779 O\n0.007126 0.577288 0.244390 O\n0.531948 0.889349 0.248799 O\n0.209934 0.204493 0.466209 O\n0.679913 0.314807 0.055757 O\n0.812523 0.812042 0.952774 O\n0.280190 0.708381 0.539777 O\n0.793892 0.799115 0.548008 O\n0.298027 0.721510 0.955914 O\n0.215005 0.212996 0.045715 O\n0.696674 0.298635 0.464198 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Pr",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Li-O-Pr-Ru-Sr",
"density": 6.199065204120832,
"density_atomic": 0.08083615885717561,
"volume": 259.7847336747358,
"volume_molar": 7.449810635658909,
"formula_full": "Sr2 Li1 Pr2 Fe2 Ru2 O12",
"formula_reduced": "Sr2LiPr2Fe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -159.28442266,
"energy_per_atom": -7.584972507619047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.52842266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.1086753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.583000Z",
"spacegroup": 1
},
{
"id": "mp-1235654",
"created_at": "2022-09-04T14:47:30.918258Z",
"structure_string": "Sr2 Li1 Pr2 Fe2 Ru2 O12\n1.0\n0.023045 -5.664160 0.118948\n-5.648898 0.025880 0.022766\n0.029496 0.158946 -8.136352\nSr Li Pr Fe Ru O\n2 1 2 2 2 12\ndirect\n0.472378 0.491405 0.760390 Sr\n0.991357 0.010533 0.246971 Sr\n0.181888 0.960358 0.571102 Li\n0.925459 0.018873 0.822190 Pr\n0.476082 0.492916 0.253279 Pr\n0.989913 0.508701 0.014265 Fe\n0.562150 0.005472 0.489936 Fe\n0.028661 0.504110 0.500143 Ru\n0.483044 0.994753 0.001965 Ru\n0.003310 0.421401 0.737358 O\n0.480819 0.045756 0.740295 O\n0.029109 0.570358 0.254687 O\n0.525047 0.922212 0.249356 O\n0.247721 0.224658 0.445486 O\n0.743387 0.249781 0.032876 O\n0.719756 0.727065 0.976045 O\n0.343431 0.696937 0.506808 O\n0.865927 0.837289 0.547589 O\n0.210123 0.766357 0.961442 O\n0.239839 0.256695 0.034893 O\n0.730596 0.306276 0.452927 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Pr",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Li-O-Pr-Ru-Sr",
"density": 6.188762207091044,
"density_atomic": 0.08070180719653308,
"volume": 260.2172210203262,
"volume_molar": 7.4622130150496915,
"formula_full": "Sr2 Li1 Pr2 Fe2 Ru2 O12",
"formula_reduced": "Sr2LiPr2Fe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -158.51571884,
"energy_per_atom": -7.548367563809524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.75971884,
"band_gap": 0.0051999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9885644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.278000Z",
"spacegroup": 1
},
{
"id": "mp-1235689",
"created_at": "2022-09-04T14:42:44.760833Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-4.023986 4.312499 0.001175\n-4.037322 -4.325118 -0.006178\n-2.006352 2.163585 8.806597\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.378705 0.040625 0.173107 Sr\n0.949705 0.462230 0.172198 Sr\n0.110963 0.487777 0.793465 Sr\n0.595560 0.011575 0.794469 Sr\n0.620797 0.747532 0.251988 Li\n0.523663 0.510834 0.969833 Mn\n0.006095 0.989289 0.970654 Mn\n0.504395 0.246795 0.497462 Cu\n0.485959 0.751032 0.523824 Cu\n0.994453 0.254611 0.499512 Cu\n0.171625 0.998058 0.662128 S\n0.667664 0.502600 0.661906 S\n0.324758 0.484660 0.368441 S\n0.809969 0.010989 0.365025 S\n0.250812 0.250183 0.999440 O\n0.724353 0.750576 0.049250 O\n0.759465 0.250636 0.982195 O\n0.256477 0.749996 0.986531 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Li-Mn-O-S-Sr",
"density": 4.604891287656568,
"density_atomic": 0.058711803733607654,
"volume": 306.5823029670691,
"volume_molar": 10.257121016625867,
"formula_full": "Sr4 Li1 Mn2 Cu3 S4 O4",
"formula_reduced": "Sr4LiMn2Cu3(SO)4",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -106.84874992,
"energy_per_atom": -5.936041662222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.75274992,
"band_gap": 0.3009000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.426000Z",
"spacegroup": 5
},
{
"id": "mp-1232983",
"created_at": "2022-09-04T14:46:09.219108Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-4.272147 4.267558 0.117146\n-4.132291 -4.127720 0.005485\n-2.267338 2.253833 8.639959\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.490039 0.000511 0.210848 Sr\n0.903070 0.498852 0.186429 Sr\n0.082928 0.501326 0.800589 Sr\n0.582845 0.997486 0.808358 Sr\n0.106299 0.998288 0.148721 Li\n0.486069 0.497569 0.999831 Mn\n0.013063 0.000478 0.928842 Mn\n0.504521 0.281310 0.508548 Cu\n0.507413 0.722695 0.511261 Cu\n0.004240 0.268465 0.496707 Cu\n0.191365 0.003441 0.641830 S\n0.662273 0.490268 0.667676 S\n0.340921 0.490894 0.349255 S\n0.810690 0.002565 0.382883 S\n0.225244 0.240712 0.011474 O\n0.747776 0.749405 0.995840 O\n0.748426 0.247723 0.992771 O\n0.228234 0.758011 0.008139 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Li-Mn-O-S-Sr",
"density": 4.666492116889039,
"density_atomic": 0.0594972068125943,
"volume": 302.53521071496385,
"volume_molar": 10.12172013212096,
"formula_full": "Sr4 Li1 Mn2 Cu3 S4 O4",
"formula_reduced": "Sr4LiMn2Cu3(SO)4",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -107.07870702,
"energy_per_atom": -5.948817056666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.98270702,
"band_gap": 0.4184000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.153000Z",
"spacegroup": 1
},
{
"id": "mp-1235184",
"created_at": "2022-09-04T14:41:10.947009Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-4.120866 4.120244 -0.000187\n-4.120979 -4.120357 0.000070\n-2.060309 2.059852 8.846498\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.408871 0.001982 0.186238 Sr\n0.904872 0.498038 0.186244 Sr\n0.095127 0.498045 0.813757 Sr\n0.591129 0.001985 0.813761 Sr\n0.000000 0.750013 0.499999 Li\n0.500004 0.500571 0.999993 Mn\n0.000000 0.999446 0.999998 Mn\n0.500003 0.250000 0.499998 Cu\n0.500004 0.750009 0.499996 Cu\n0.999999 0.250003 0.499996 Cu\n0.176128 0.001256 0.650794 S\n0.673127 0.498679 0.650784 S\n0.326861 0.498677 0.349240 S\n0.823869 0.001248 0.349221 S\n0.248779 0.250013 0.002423 O\n0.750079 0.750011 0.999843 O\n0.751222 0.250012 0.997570 O\n0.249924 0.750011 0.000147 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Li-Mn-O-S-Sr",
"density": 4.699343132972754,
"density_atomic": 0.05991605327134279,
"volume": 300.4203217205097,
"volume_molar": 10.05096369202997,
"formula_full": "Sr4 Li1 Mn2 Cu3 S4 O4",
"formula_reduced": "Sr4LiMn2Cu3(SO)4",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -108.79410221,
"energy_per_atom": -6.044116789444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.69810221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9470069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.131000Z",
"spacegroup": 21
},
{
"id": "mp-1236109",
"created_at": "2022-09-04T14:40:09.447051Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-3.999016 4.251523 0.065076\n-4.269779 -4.530507 -0.166377\n-1.890010 2.373053 8.524252\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.374440 0.962305 0.225830 Sr\n0.914515 0.443896 0.185564 Sr\n0.069309 0.608070 0.777605 Sr\n0.626477 0.021316 0.807896 Sr\n0.124825 0.205975 0.857009 Li\n0.501837 0.494272 0.996352 Mn\n0.982758 0.942559 0.067697 Mn\n0.476385 0.281155 0.518551 Cu\n0.545904 0.719933 0.479239 Cu\n0.982556 0.276891 0.498153 Cu\n0.183534 0.016639 0.615585 S\n0.655902 0.516223 0.653803 S\n0.342493 0.479767 0.338043 S\n0.802961 0.005965 0.357868 S\n0.260885 0.182802 0.015230 O\n0.720945 0.801941 0.992534 O\n0.815756 0.317397 0.947086 O\n0.212266 0.691643 0.015955 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Li-Mn-O-S-Sr",
"density": 4.5878448480391825,
"density_atomic": 0.058494463702181615,
"volume": 307.72142970051146,
"volume_molar": 10.29523202513847,
"formula_full": "Sr4 Li1 Mn2 Cu3 S4 O4",
"formula_reduced": "Sr4LiMn2Cu3(SO)4",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -107.43788932,
"energy_per_atom": -5.968771628888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.34188932,
"band_gap": 1.0064000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0008289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.177000Z",
"spacegroup": 1
},
{
"id": "mp-1235142",
"created_at": "2022-09-04T14:47:23.840807Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-4.089313 4.379273 -0.000500\n-4.088616 -4.378625 0.000104\n-2.044273 2.188985 8.445207\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.396361 0.999033 0.195219 Sr\n0.908211 0.500880 0.195145 Sr\n0.052228 0.545583 0.803473 Sr\n0.644088 0.955081 0.803652 Sr\n0.355962 0.249750 0.786603 Li\n0.488056 0.495390 0.022919 Mn\n0.988486 0.004525 0.023309 Mn\n0.507539 0.249976 0.485141 Cu\n0.504893 0.749917 0.490192 Cu\n0.004495 0.250027 0.490721 Cu\n0.184987 0.006581 0.644582 S\n0.669282 0.493385 0.645078 S\n0.333981 0.490997 0.349191 S\n0.816606 0.008821 0.349186 S\n0.249525 0.249551 0.000566 O\n0.750315 0.750434 0.999381 O\n0.751298 0.250371 0.997006 O\n0.247852 0.749698 0.004349 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Li-Mn-O-S-Sr",
"density": 4.667991881842641,
"density_atomic": 0.05951632863330666,
"volume": 302.4380100947087,
"volume_molar": 10.118468155359094,
"formula_full": "Sr4 Li1 Mn2 Cu3 S4 O4",
"formula_reduced": "Sr4LiMn2Cu3(SO)4",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -107.0215794,
"energy_per_atom": -5.9456432999999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.9255794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0012391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.986000Z",
"spacegroup": 5
},
{
"id": "mp-1236434",
"created_at": "2022-09-04T14:47:28.981384Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-4.037972 4.317452 -0.000371\n-4.029744 -4.309507 0.001493\n-2.020243 2.156811 8.876700\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.455293 0.965575 0.167885 Sr\n0.877047 0.534023 0.167629 Sr\n0.089477 0.520360 0.789404 Sr\n0.620834 0.979663 0.790020 Sr\n0.120269 0.249970 0.260420 Li\n0.501056 0.484979 0.969158 Mn\n0.030061 0.015005 0.968861 Mn\n0.502475 0.249360 0.497768 Cu\n0.502018 0.749422 0.497204 Cu\n0.984081 0.251618 0.525885 Cu\n0.175278 0.014825 0.666857 S\n0.657448 0.486414 0.667313 S\n0.325587 0.495309 0.371169 S\n0.803987 0.003570 0.369848 S\n0.219950 0.249909 0.060146 O\n0.753841 0.750067 0.992291 O\n0.757983 0.250011 0.984045 O\n0.258730 0.749919 0.982668 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Li-Mn-O-S-Sr",
"density": 4.570123565337172,
"density_atomic": 0.05826851950352113,
"volume": 308.9146618683571,
"volume_molar": 10.33515320332806,
"formula_full": "Sr4 Li1 Mn2 Cu3 S4 O4",
"formula_reduced": "Sr4LiMn2Cu3(SO)4",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -106.95428245,
"energy_per_atom": -5.941904580555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.85828245,
"band_gap": 0.3556999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0006331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.583000Z",
"spacegroup": 5
},
{
"id": "mp-1235403",
"created_at": "2022-09-04T14:42:06.555813Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-4.007662 4.242807 -0.054111\n-4.323633 -4.563239 0.195871\n-2.155912 1.849791 8.522908\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.356045 0.098875 0.214286 Sr\n0.924800 0.541105 0.205542 Sr\n0.112552 0.497069 0.786510 Sr\n0.621447 0.922461 0.804330 Sr\n0.465329 0.682791 0.129734 Li\n0.560934 0.414512 0.925043 Mn\n0.013004 0.017847 0.000368 Mn\n0.512451 0.236870 0.515514 Cu\n0.463137 0.806939 0.476172 Cu\n0.971892 0.244243 0.516822 Cu\n0.177706 0.007251 0.665778 S\n0.684509 0.488454 0.643555 S\n0.327903 0.504525 0.383114 S\n0.803764 0.031538 0.351725 S\n0.206584 0.320281 0.019992 O\n0.767148 0.659230 0.984839 O\n0.718880 0.162338 0.982224 O\n0.254622 0.822002 0.048023 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Li-Mn-O-S-Sr",
"density": 4.51279620966509,
"density_atomic": 0.05753760269256232,
"volume": 312.8388941780989,
"volume_molar": 10.466443644129198,
"formula_full": "Sr4 Li1 Mn2 Cu3 S4 O4",
"formula_reduced": "Sr4LiMn2Cu3(SO)4",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -107.3992413,
"energy_per_atom": -5.966624516666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.3032413,
"band_gap": 1.0902000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0014135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.044000Z",
"spacegroup": 1
}
]
}