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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=11553",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=11551",
"results": [
{
"id": "mp-1193463",
"created_at": "2022-09-04T14:39:36.365098Z",
"structure_string": "Mn8 Si2 Te2 Br4 O14\n1.0\n5.581701 -0.005783 -0.338366\n-0.007003 6.575346 -0.003380\n0.033793 -0.006740 13.193908\nMn Si Te Br O\n8 2 2 4 14\ndirect\n0.148866 0.751378 0.336501 Mn\n0.851131 0.248621 0.663498 Mn\n0.354071 0.504728 0.633385 Mn\n0.645923 0.495275 0.366611 Mn\n0.959280 0.250182 0.176447 Mn\n0.040746 0.749816 0.823566 Mn\n0.645999 0.002870 0.367501 Mn\n0.353995 0.997128 0.632498 Mn\n0.156267 0.250492 0.438835 Si\n0.843729 0.749506 0.561163 Si\n0.706351 0.749218 0.156549 Te\n0.293648 0.250782 0.843450 Te\n0.426506 0.249999 0.179018 Br\n0.573509 0.750011 0.820981 Br\n0.850517 0.250042 0.982429 Br\n0.149489 0.749959 0.017578 Br\n0.491589 0.749499 0.267088 O\n0.508404 0.250501 0.732908 O\n0.154175 0.250528 0.565484 O\n0.845819 0.749468 0.434514 O\n0.879315 0.249480 0.387663 O\n0.120685 0.750519 0.612331 O\n0.294175 0.038558 0.408686 O\n0.705853 0.537790 0.591666 O\n0.705822 0.961441 0.591312 O\n0.294144 0.462209 0.408334 O\n0.896773 0.952821 0.228510 O\n0.102842 0.452581 0.770868 O\n0.103222 0.047178 0.771492 O\n0.897155 0.547421 0.229133 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Mn",
"Si",
"Te",
"Br",
"O"
],
"chemical_system": "Br-Mn-O-Si-Te",
"density": 4.438334049765421,
"density_atomic": 0.06194350923744473,
"volume": 484.31224464540117,
"volume_molar": 9.721988363487206,
"formula_full": "Mn8 Si2 Te2 Br4 O14",
"formula_reduced": "Mn4SiTeBr2O7",
"formula_anonymous": "ABC2D4E7",
"energy": -228.7537451,
"energy_per_atom": -7.625124836666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -203.6557451,
"band_gap": 2.6949,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0033232,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.397000Z",
"spacegroup": 11
},
{
"id": "mp-1193890",
"created_at": "2022-09-04T14:45:59.076200Z",
"structure_string": "Mn8 Si2 Te2 Cl4 O14\n1.0\n5.528049 -0.006125 -0.387253\n-0.007493 6.522898 -0.003771\n0.047686 -0.007417 12.906023\nMn Si Te Cl O\n8 2 2 4 14\ndirect\n0.144807 0.751426 0.333013 Mn\n0.855202 0.248563 0.666988 Mn\n0.358919 0.506150 0.641047 Mn\n0.641075 0.493849 0.358953 Mn\n0.982944 0.250227 0.168429 Mn\n0.017103 0.749763 0.831558 Mn\n0.640904 0.004290 0.359589 Mn\n0.359095 0.995713 0.640413 Mn\n0.155412 0.250500 0.438047 Si\n0.844584 0.749500 0.561952 Si\n0.704634 0.749182 0.145892 Te\n0.295363 0.250811 0.854111 Te\n0.426205 0.250143 0.177803 Cl\n0.573785 0.749860 0.822196 Cl\n0.857946 0.250163 0.984740 Cl\n0.142052 0.749858 0.015261 Cl\n0.485287 0.749444 0.256391 O\n0.514708 0.250557 0.743611 O\n0.161943 0.250571 0.567675 O\n0.838049 0.749430 0.432325 O\n0.874150 0.249527 0.387318 O\n0.125849 0.750482 0.612683 O\n0.291075 0.037788 0.404259 O\n0.709239 0.536844 0.596109 O\n0.708922 0.962213 0.595739 O\n0.290755 0.463160 0.403895 O\n0.893786 0.955047 0.220525 O\n0.105705 0.454737 0.778805 O\n0.106208 0.044947 0.779477 O\n0.894293 0.545255 0.221194 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Mn",
"Si",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Si-Te",
"density": 3.983463527115516,
"density_atomic": 0.06444729131702936,
"volume": 465.49667778004635,
"volume_molar": 9.344288389679345,
"formula_full": "Mn8 Si2 Te2 Cl4 O14",
"formula_reduced": "Mn4SiTeCl2O7",
"formula_anonymous": "ABC2D4E7",
"energy": -231.72064927,
"energy_per_atom": -7.724021642333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.30264927,
"band_gap": 2.4894000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0029971,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.490000Z",
"spacegroup": 11
},
{
"id": "mp-704550",
"created_at": "2022-09-04T14:44:22.570117Z",
"structure_string": "Mn8 Sn4 C36 Br4 O36\n1.0\n12.815900 0.000000 0.000000\n0.000000 8.896231 0.000000\n0.000000 1.941339 15.091698\nMn Sn C Br O\n8 4 36 4 36\ndirect\n0.507741 0.442468 0.603941 Mn\n0.307095 0.746556 0.063956 Mn\n0.692905 0.253444 0.936044 Mn\n0.807095 0.253444 0.436044 Mn\n0.992259 0.442468 0.103941 Mn\n0.492259 0.557532 0.396059 Mn\n0.007741 0.557532 0.896059 Mn\n0.192905 0.746556 0.563956 Mn\n0.166666 0.537630 0.023640 Sn\n0.333334 0.537630 0.523640 Sn\n0.666666 0.462370 0.476360 Sn\n0.833334 0.462370 0.976360 Sn\n0.023012 0.245265 0.083569 C\n0.363306 0.580051 0.136214 C\n0.873201 0.378700 0.157744 C\n0.593581 0.120369 0.905795 C\n0.476988 0.245265 0.583569 C\n0.126799 0.621300 0.842256 C\n0.636694 0.419949 0.863786 C\n0.713951 0.200694 0.349144 C\n0.460890 0.360134 0.375014 C\n0.741428 0.116216 0.521875 C\n0.258572 0.883784 0.478125 C\n0.579327 0.579109 0.300070 C\n0.523012 0.754735 0.416431 C\n0.758572 0.116216 0.021875 C\n0.079327 0.420891 0.199930 C\n0.906419 0.120369 0.405795 C\n0.093581 0.879631 0.594205 C\n0.611828 0.314215 0.026998 C\n0.976988 0.754735 0.916431 C\n0.960890 0.639866 0.124986 C\n0.388172 0.685785 0.973002 C\n0.888172 0.314215 0.526998 C\n0.039110 0.360134 0.875014 C\n0.863306 0.419949 0.363786 C\n0.286049 0.799306 0.650856 C\n0.786049 0.200694 0.849144 C\n0.111828 0.685785 0.473002 C\n0.136694 0.580051 0.636214 C\n0.406419 0.879631 0.094205 C\n0.213951 0.799306 0.150856 C\n0.420673 0.420891 0.699930 C\n0.626799 0.378700 0.657744 C\n0.539110 0.639866 0.624986 C\n0.241428 0.883784 0.978125 C\n0.920673 0.579109 0.800070 C\n0.373201 0.621300 0.342256 C\n0.284296 0.309408 0.001798 Br\n0.715704 0.690592 0.998202 Br\n0.215704 0.309408 0.501798 Br\n0.784296 0.690592 0.498202 Br\n0.156864 0.838080 0.202252 O\n0.061045 0.648249 0.417129 O\n0.038638 0.118611 0.077135 O\n0.561045 0.351751 0.082871 O\n0.939129 0.757719 0.144400 O\n0.797247 0.035044 0.077890 O\n0.202753 0.964956 0.922110 O\n0.702753 0.035044 0.577890 O\n0.597814 0.524002 0.823550 O\n0.796912 0.337092 0.195738 O\n0.961362 0.881389 0.922865 O\n0.097814 0.475998 0.676450 O\n0.843136 0.161920 0.797748 O\n0.367706 0.406039 0.762904 O\n0.656864 0.161920 0.297748 O\n0.029499 0.962114 0.612664 O\n0.538638 0.881389 0.422865 O\n0.461362 0.118611 0.577135 O\n0.296912 0.662908 0.304262 O\n0.343136 0.838080 0.702252 O\n0.470501 0.962114 0.112664 O\n0.060871 0.242281 0.855600 O\n0.132294 0.406039 0.262904 O\n0.438955 0.648249 0.917129 O\n0.529499 0.037886 0.887336 O\n0.439129 0.242281 0.355600 O\n0.938955 0.351751 0.582871 O\n0.402186 0.475998 0.176450 O\n0.867706 0.593961 0.737096 O\n0.297247 0.964956 0.422110 O\n0.902186 0.524002 0.323550 O\n0.203088 0.662908 0.804262 O\n0.632294 0.593961 0.237096 O\n0.560871 0.757719 0.644400 O\n0.970501 0.037886 0.387336 O\n0.703088 0.337092 0.695738 O\n",
"nsites": 88,
"nelements": 5,
"elements": [
"Mn",
"Sn",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-Mn-O-Sn",
"density": 2.163984709264616,
"density_atomic": 0.05114337744061206,
"volume": 1720.652886137331,
"volume_molar": 11.77501577206734,
"formula_full": "Mn8 Sn4 C36 Br4 O36",
"formula_reduced": "Mn2SnC9BrO9",
"formula_anonymous": "ABC2D9E9",
"energy": -673.31327612,
"energy_per_atom": -7.651287228636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -633.10127612,
"band_gap": 2.198,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.05e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.936000Z",
"spacegroup": 14
},
{
"id": "mp-637502",
"created_at": "2022-09-04T14:44:04.598448Z",
"structure_string": "Mn8 Sn4 C40 Br8 O40\n1.0\n7.761680 0.000000 0.000000\n0.000000 15.462349 0.000000\n0.000000 5.985673 16.033726\nMn Sn C Br O\n8 4 40 8 40\ndirect\n0.852601 0.822577 0.361081 Mn\n0.354507 0.637829 0.112320 Mn\n0.647399 0.822577 0.861081 Mn\n0.854507 0.362171 0.387680 Mn\n0.352601 0.177423 0.138919 Mn\n0.145493 0.637829 0.612320 Mn\n0.147399 0.177423 0.638919 Mn\n0.645493 0.362171 0.887680 Mn\n0.639768 0.240737 0.047650 Sn\n0.360232 0.759263 0.952350 Sn\n0.139768 0.759263 0.452350 Sn\n0.860232 0.240737 0.547650 Sn\n0.685247 0.427812 0.421644 C\n0.486529 0.877862 0.776530 C\n0.142320 0.550895 0.717298 C\n0.633979 0.922677 0.899084 C\n0.357680 0.550895 0.217298 C\n0.331314 0.129256 0.708285 C\n0.019334 0.286540 0.364435 C\n0.476159 0.421520 0.927240 C\n0.681114 0.290566 0.364110 C\n0.814753 0.427812 0.921644 C\n0.857589 0.714593 0.336362 C\n0.366021 0.077323 0.100916 C\n0.866021 0.922677 0.399084 C\n0.480666 0.286540 0.864435 C\n0.642320 0.449105 0.782702 C\n0.519334 0.713460 0.135565 C\n0.318886 0.709434 0.635890 C\n0.513471 0.122138 0.223470 C\n0.720386 0.759814 0.454689 C\n0.181114 0.709434 0.135890 C\n0.279614 0.240186 0.545311 C\n0.818886 0.290566 0.864110 C\n0.023841 0.421520 0.427240 C\n0.831314 0.870744 0.791715 C\n0.779614 0.759814 0.954689 C\n0.642411 0.714593 0.836362 C\n0.168686 0.129256 0.208285 C\n0.986529 0.122138 0.723470 C\n0.976159 0.578480 0.572760 C\n0.142411 0.285407 0.663638 C\n0.314753 0.572188 0.578356 C\n0.668686 0.870744 0.291715 C\n0.357589 0.285407 0.163638 C\n0.857680 0.449105 0.282702 C\n0.185247 0.572188 0.078356 C\n0.980666 0.713460 0.635565 C\n0.523841 0.578480 0.072760 C\n0.013471 0.877862 0.276530 C\n0.133979 0.077323 0.600916 C\n0.220386 0.240186 0.045311 C\n0.824914 0.098290 0.060300 Br\n0.324914 0.901710 0.439700 Br\n0.176053 0.690634 0.861637 Br\n0.823947 0.309366 0.138363 Br\n0.323947 0.690634 0.361637 Br\n0.175086 0.901710 0.939700 Br\n0.676053 0.309366 0.638363 Br\n0.675086 0.098290 0.560300 Br\n0.129745 0.016909 0.576356 O\n0.610983 0.088241 0.276199 O\n0.357538 0.280988 0.486347 O\n0.140536 0.493456 0.782491 O\n0.121406 0.240330 0.349300 O\n0.356177 0.353137 0.177959 O\n0.556970 0.901707 0.245953 O\n0.142462 0.280988 0.986347 O\n0.943030 0.901707 0.745953 O\n0.857538 0.719012 0.013653 O\n0.918433 0.471740 0.938206 O\n0.925560 0.248266 0.847317 O\n0.870255 0.983091 0.423644 O\n0.629745 0.983091 0.923644 O\n0.418433 0.528260 0.561794 O\n0.640536 0.506544 0.717509 O\n0.143823 0.353137 0.677959 O\n0.621406 0.759670 0.150700 O\n0.574440 0.248266 0.347317 O\n0.859464 0.506544 0.217509 O\n0.871933 0.541425 0.547790 O\n0.628067 0.541425 0.047790 O\n0.889017 0.088241 0.776199 O\n0.642462 0.719012 0.513653 O\n0.856177 0.646863 0.322041 O\n0.359464 0.493456 0.282491 O\n0.378594 0.240330 0.849300 O\n0.878594 0.759670 0.650700 O\n0.425560 0.751734 0.652683 O\n0.443030 0.098293 0.754047 O\n0.581567 0.471740 0.438206 O\n0.056970 0.098293 0.254047 O\n0.074440 0.751734 0.152683 O\n0.110983 0.911759 0.223801 O\n0.389017 0.911759 0.723801 O\n0.370255 0.016909 0.076356 O\n0.128067 0.458575 0.452210 O\n0.371933 0.458575 0.952210 O\n0.643823 0.646863 0.822041 O\n0.081567 0.528260 0.061794 O\n",
"nsites": 100,
"nelements": 5,
"elements": [
"Mn",
"Sn",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-Mn-O-Sn",
"density": 2.3074996711811555,
"density_atomic": 0.05196780064722998,
"volume": 1924.2684653680888,
"volume_molar": 11.588215558475815,
"formula_full": "Mn8 Sn4 C40 Br8 O40",
"formula_reduced": "Mn2SnC10(BrO5)2",
"formula_anonymous": "AB2C2D10E10",
"energy": -752.9067237,
"energy_per_atom": -7.5290672370000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -707.8107237,
"band_gap": 2.4829,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.1571954,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.865000Z",
"spacegroup": 14
},
{
"id": "mp-705194",
"created_at": "2022-09-04T14:40:25.791195Z",
"structure_string": "Mn16 Sn8 C80 Br8 O80\n1.0\n12.605288 0.000000 0.000000\n0.000000 16.794212 0.000000\n0.000000 5.408401 16.542480\nMn Sn C Br O\n16 8 80 8 80\ndirect\n0.171748 0.605690 0.339526 Mn\n0.943418 0.918225 0.337223 Mn\n0.443418 0.081775 0.162777 Mn\n0.828252 0.394310 0.660474 Mn\n0.328252 0.605690 0.839526 Mn\n0.161609 0.812631 0.078039 Mn\n0.697877 0.705306 0.320439 Mn\n0.802123 0.705306 0.820439 Mn\n0.338391 0.812631 0.578039 Mn\n0.197877 0.294694 0.179561 Mn\n0.838391 0.187369 0.921961 Mn\n0.302123 0.294694 0.679561 Mn\n0.556582 0.918225 0.837223 Mn\n0.671748 0.394310 0.160474 Mn\n0.056582 0.081775 0.662777 Mn\n0.661609 0.187369 0.421961 Mn\n0.623380 0.800137 0.764957 Sn\n0.055091 0.714310 0.213041 Sn\n0.876620 0.800137 0.264957 Sn\n0.123380 0.199863 0.735043 Sn\n0.944909 0.285690 0.786959 Sn\n0.444909 0.714310 0.713041 Sn\n0.376620 0.199863 0.235043 Sn\n0.555091 0.285690 0.286959 Sn\n0.054534 0.606541 0.403905 C\n0.401763 0.909132 0.588989 C\n0.170392 0.291338 0.286224 C\n0.192052 0.088163 0.619689 C\n0.514947 0.997746 0.882279 C\n0.792805 0.290228 0.928545 C\n0.753913 0.465801 0.577687 C\n0.281650 0.613579 0.266092 C\n0.329608 0.291338 0.786224 C\n0.707195 0.290228 0.428545 C\n0.454567 0.802701 0.514717 C\n0.746087 0.465801 0.077687 C\n0.514677 0.829069 0.925844 C\n0.610853 0.479303 0.193949 C\n0.718350 0.386421 0.733908 C\n0.635802 0.810501 0.294983 C\n0.268864 0.812047 0.151077 C\n0.731136 0.187953 0.848923 C\n0.599274 0.999454 0.742129 C\n0.400726 0.000546 0.257871 C\n0.445466 0.606541 0.903905 C\n0.389147 0.520697 0.806051 C\n0.598237 0.090868 0.411011 C\n0.864198 0.810501 0.794983 C\n0.829608 0.708662 0.713776 C\n0.775782 0.300168 0.639248 C\n0.807948 0.911837 0.380311 C\n0.218350 0.613579 0.766092 C\n0.985323 0.829069 0.425844 C\n0.292805 0.709772 0.571455 C\n0.774416 0.606512 0.336131 C\n0.900726 0.999454 0.242129 C\n0.231136 0.812047 0.651077 C\n0.741637 0.126326 0.506572 C\n0.110853 0.520697 0.306051 C\n0.253913 0.534199 0.922313 C\n0.274416 0.393488 0.163869 C\n0.225584 0.393488 0.663869 C\n0.045433 0.802701 0.014717 C\n0.573537 0.085485 0.210904 C\n0.224218 0.699832 0.360752 C\n0.425061 0.349369 0.640253 C\n0.954567 0.197299 0.985283 C\n0.098237 0.909132 0.088989 C\n0.889147 0.479303 0.693949 C\n0.485053 0.002254 0.117721 C\n0.758363 0.126326 0.006572 C\n0.759392 0.708433 0.921744 C\n0.073537 0.914515 0.289096 C\n0.781650 0.386421 0.233908 C\n0.259392 0.291567 0.578256 C\n0.099274 0.000546 0.757871 C\n0.574939 0.650631 0.359747 C\n0.901763 0.090868 0.911011 C\n0.545433 0.197299 0.485283 C\n0.768864 0.187953 0.348923 C\n0.240608 0.291567 0.078256 C\n0.074939 0.349369 0.140253 C\n0.554534 0.393459 0.096095 C\n0.426463 0.914515 0.789096 C\n0.135802 0.189499 0.205017 C\n0.692052 0.911837 0.880311 C\n0.364198 0.189499 0.705017 C\n0.670392 0.708662 0.213776 C\n0.246087 0.534199 0.422313 C\n0.724218 0.300168 0.139248 C\n0.926463 0.085485 0.710904 C\n0.241637 0.873674 0.993428 C\n0.725584 0.606512 0.836131 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{
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"formula_full": "Mn8 Sn4 C40 Cl8 O40",
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{
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"structure_string": "Mn8 Sn4 C36 Cl4 O36\n1.0\n12.454281 0.000000 0.000000\n0.000000 8.819151 0.000000\n0.000000 6.827262 14.028954\nMn Sn C Cl O\n8 4 36 4 36\ndirect\n0.189642 0.313260 0.429525 Mn\n0.689642 0.686740 0.070475 Mn\n0.014263 0.950436 0.109125 Mn\n0.810358 0.686740 0.570475 Mn\n0.985737 0.049564 0.890875 Mn\n0.310358 0.313260 0.929525 Mn\n0.514263 0.049564 0.390875 Mn\n0.485737 0.950436 0.609125 Mn\n0.168140 0.062502 0.977634 Sn\n0.831860 0.937498 0.022366 Sn\n0.331860 0.062502 0.477634 Sn\n0.668140 0.937498 0.522366 Sn\n0.716688 0.543482 0.665334 C\n0.587903 0.523348 0.097411 C\n0.917913 0.874339 0.205471 C\n0.216688 0.456518 0.834666 C\n0.412097 0.476652 0.902589 C\n0.283312 0.456518 0.334666 C\n0.105991 0.150426 0.525599 C\n0.243666 0.365943 0.020626 C\n0.871042 0.064069 0.816307 C\n0.544411 0.268368 0.372258 C\n0.135538 0.240318 0.341534 C\n0.605991 0.849574 0.974401 C\n0.864462 0.759682 0.658466 C\n0.044411 0.731632 0.127742 C\n0.017715 0.827709 0.913745 C\n0.417913 0.125661 0.294529 C\n0.082087 0.125661 0.794529 C\n0.982285 0.172291 0.086255 C\n0.517715 0.172291 0.586255 C\n0.756334 0.634057 0.979374 C\n0.783312 0.543482 0.165334 C\n0.482285 0.827709 0.413745 C\n0.635538 0.759682 0.158466 C\n0.582087 0.874339 0.705471 C\n0.364462 0.240318 0.841534 C\n0.894009 0.849574 0.474401 C\n0.128958 0.935931 0.183693 C\n0.394009 0.150426 0.025599 C\n0.628958 0.064069 0.316307 C\n0.087903 0.476652 0.402589 C\n0.256334 0.365943 0.520626 C\n0.743666 0.634057 0.479374 C\n0.455589 0.731632 0.627742 C\n0.955589 0.268368 0.872258 C\n0.371042 0.935931 0.683693 C\n0.912097 0.523348 0.597411 C\n0.220437 0.824634 0.494673 Cl\n0.779563 0.175366 0.505327 Cl\n0.720437 0.175366 0.005327 Cl\n0.279563 0.824634 0.994673 Cl\n0.447117 0.051828 0.083968 O\n0.101010 0.200763 0.285826 O\n0.947117 0.948172 0.416032 O\n0.359997 0.176490 0.228931 O\n0.936355 0.408222 0.853227 O\n0.976839 0.420350 0.613280 O\n0.699703 0.085449 0.263048 O\n0.161817 0.547186 0.774403 O\n0.476839 0.579650 0.886720 O\n0.052883 0.051828 0.583968 O\n0.795625 0.601723 0.922559 O\n0.461316 0.693684 0.422471 O\n0.800297 0.085449 0.763048 O\n0.961316 0.306316 0.077529 O\n0.523161 0.420350 0.113280 O\n0.140003 0.176490 0.728931 O\n0.538684 0.306316 0.577529 O\n0.552883 0.948172 0.916032 O\n0.398990 0.200763 0.785826 O\n0.898990 0.799237 0.714174 O\n0.338183 0.547186 0.274404 O\n0.704375 0.601723 0.422559 O\n0.204375 0.398277 0.077441 O\n0.640003 0.823510 0.771069 O\n0.038684 0.693684 0.922471 O\n0.023161 0.579650 0.386720 O\n0.563645 0.408222 0.353227 O\n0.300297 0.914551 0.736952 O\n0.838183 0.452814 0.225597 O\n0.063645 0.591778 0.146773 O\n0.436355 0.591778 0.646773 O\n0.295625 0.398277 0.577441 O\n0.199703 0.914551 0.236952 O\n0.601010 0.799237 0.214174 O\n0.859997 0.823510 0.271069 O\n0.661817 0.452814 0.725597 O\n",
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{
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"energy_uncorrected": -216.06128569,
"band_gap": 0.9937,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.323000Z",
"spacegroup": 63
}
]
}