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{
"id": "mp-1212295",
"created_at": "2022-09-04T14:47:24.750334Z",
"structure_string": "Mn48 Al108\n1.0\n0.000000 -12.406774 0.000000\n-14.743460 0.000000 0.000000\n0.000000 0.000000 -12.486358\nMn Al\n48 108\ndirect\n0.936879 0.874594 0.840825 Mn\n0.063121 0.125406 0.159175 Mn\n0.063121 0.625406 0.340825 Mn\n0.436879 0.125406 0.159175 Mn\n0.936879 0.374594 0.659175 Mn\n0.563121 0.874594 0.840825 Mn\n0.563121 0.374594 0.659175 Mn\n0.436879 0.625406 0.340825 Mn\n0.750000 0.667099 0.655381 Mn\n0.250000 0.332900 0.344619 Mn\n0.250000 0.832901 0.155381 Mn\n0.750000 0.167100 0.844619 Mn\n0.750000 0.457480 0.352771 Mn\n0.250000 0.542520 0.647229 Mn\n0.250000 0.042520 0.852771 Mn\n0.750000 0.957480 0.147229 Mn\n0.750000 0.776361 0.478039 Mn\n0.250000 0.223639 0.521961 Mn\n0.250000 0.723639 0.978039 Mn\n0.750000 0.276361 0.021961 Mn\n0.750000 0.944276 0.754879 Mn\n0.250000 0.055724 0.245121 Mn\n0.250000 0.555724 0.254879 Mn\n0.750000 0.444276 0.745121 Mn\n0.750000 0.946321 0.544045 Mn\n0.250000 0.053679 0.455955 Mn\n0.250000 0.553679 0.044045 Mn\n0.750000 0.446321 0.955955 Mn\n0.750000 0.767025 0.826559 Mn\n0.250000 0.232975 0.173441 Mn\n0.250000 0.732975 0.326559 Mn\n0.750000 0.267025 0.673441 Mn\n0.442572 0.822498 0.650957 Mn\n0.557428 0.177502 0.349043 Mn\n0.557428 0.677502 0.150957 Mn\n0.942572 0.177502 0.349043 Mn\n0.442572 0.322498 0.849043 Mn\n0.057428 0.822498 0.650957 Mn\n0.057428 0.322498 0.849043 Mn\n0.942572 0.677502 0.150957 Mn\n0.938984 0.682367 0.540732 Mn\n0.061016 0.317633 0.459268 Mn\n0.061016 0.817633 0.040732 Mn\n0.438984 0.317633 0.459268 Mn\n0.938984 0.182367 0.959268 Mn\n0.561016 0.682367 0.540732 Mn\n0.561016 0.182367 0.959268 Mn\n0.438984 0.817633 0.040732 Mn\n0.851848 0.817618 0.653152 Al\n0.148152 0.182382 0.346848 Al\n0.148152 0.682382 0.153152 Al\n0.351848 0.182382 0.346848 Al\n0.851848 0.317618 0.846848 Al\n0.648152 0.817618 0.653152 Al\n0.648152 0.317618 0.846848 Al\n0.351848 0.682382 0.153152 Al\n0.750000 0.904253 0.338402 Al\n0.250000 0.095747 0.661598 Al\n0.250000 0.595747 0.838402 Al\n0.750000 0.404253 0.161598 Al\n0.932973 0.978321 0.653949 Al\n0.067027 0.021679 0.346051 Al\n0.067027 0.521679 0.153949 Al\n0.432973 0.021679 0.346051 Al\n0.932973 0.478321 0.846051 Al\n0.567027 0.978321 0.653949 Al\n0.567027 0.478321 0.846051 Al\n0.432973 0.521679 0.153949 Al\n0.932566 0.693946 0.766417 Al\n0.067434 0.306054 0.233583 Al\n0.067434 0.806054 0.266417 Al\n0.432566 0.306054 0.233583 Al\n0.932566 0.193946 0.733583 Al\n0.567434 0.693946 0.766417 Al\n0.567434 0.193946 0.733583 Al\n0.432566 0.806054 0.266417 Al\n0.377121 0.664338 0.663186 Al\n0.622879 0.335662 0.336814 Al\n0.622879 0.835662 0.163186 Al\n0.877121 0.335662 0.336814 Al\n0.377121 0.164338 0.836814 Al\n0.122879 0.664338 0.663186 Al\n0.122879 0.164338 0.836814 Al\n0.877121 0.835662 0.163186 Al\n0.371711 0.947629 0.541079 Al\n0.628289 0.052371 0.458921 Al\n0.628289 0.552371 0.041079 Al\n0.871711 0.052371 0.458921 Al\n0.371711 0.447629 0.958921 Al\n0.128289 0.947629 0.541079 Al\n0.128289 0.447629 0.958921 Al\n0.871711 0.552371 0.041079 Al\n0.377284 0.949033 0.763010 Al\n0.622716 0.050967 0.236990 Al\n0.622716 0.550967 0.263010 Al\n0.877284 0.050967 0.236990 Al\n0.377284 0.449033 0.736990 Al\n0.122716 0.949033 0.763010 Al\n0.122716 0.449033 0.736990 Al\n0.877284 0.550967 0.263010 Al\n0.933741 0.866638 0.469483 Al\n0.066259 0.133362 0.530517 Al\n0.066259 0.633362 0.969483 Al\n0.433741 0.133362 0.530517 Al\n0.933741 0.366638 0.030517 Al\n0.566259 0.866638 0.469483 Al\n0.566259 0.366638 0.030517 Al\n0.433741 0.633362 0.969483 Al\n0.750000 0.897092 0.954156 Al\n0.250000 0.102908 0.045844 Al\n0.250000 0.602908 0.454156 Al\n0.750000 0.397092 0.545844 Al\n0.919493 0.477599 0.449135 Al\n0.080507 0.522401 0.550865 Al\n0.080507 0.022401 0.949135 Al\n0.419493 0.522401 0.550865 Al\n0.919493 0.977599 0.050865 Al\n0.580507 0.477599 0.449135 Al\n0.580507 0.977599 0.050865 Al\n0.419493 0.022401 0.949135 Al\n0.382366 0.777166 0.842755 Al\n0.617634 0.222834 0.157245 Al\n0.617634 0.722834 0.342755 Al\n0.882366 0.222834 0.157245 Al\n0.382366 0.277166 0.657245 Al\n0.117634 0.777166 0.842755 Al\n0.117634 0.277166 0.657245 Al\n0.882366 0.722834 0.342755 Al\n0.750000 0.682175 0.155975 Al\n0.250000 0.317825 0.844025 Al\n0.250000 0.817825 0.655975 Al\n0.750000 0.182175 0.344025 Al\n0.880024 0.740494 0.973081 Al\n0.119976 0.259506 0.026919 Al\n0.119976 0.759506 0.473081 Al\n0.380024 0.259506 0.026919 Al\n0.880024 0.240494 0.526919 Al\n0.619976 0.740494 0.973081 Al\n0.619976 0.240494 0.526919 Al\n0.380024 0.759506 0.473081 Al\n0.750000 0.597415 0.849945 Al\n0.250000 0.402585 0.150055 Al\n0.250000 0.902585 0.349945 Al\n0.750000 0.097415 0.650055 Al\n0.750000 0.603918 0.463823 Al\n0.250000 0.396082 0.536177 Al\n0.250000 0.896082 0.963823 Al\n0.750000 0.103918 0.036177 Al\n0.883154 0.541709 0.648322 Al\n0.116846 0.458291 0.351678 Al\n0.116846 0.958291 0.148322 Al\n0.383154 0.458291 0.351678 Al\n0.883154 0.041709 0.851678 Al\n0.616846 0.541709 0.648322 Al\n0.616846 0.041709 0.851678 Al\n0.383154 0.958291 0.148322 Al\n",
"nsites": 156,
"nelements": 2,
"elements": [
"Mn",
"Al"
],
"chemical_system": "Al-Mn",
"density": 4.035792086649246,
"density_atomic": 0.06830154516245837,
"volume": 2283.989324530606,
"volume_molar": 8.816990517090149,
"formula_full": "Mn48 Al108",
"formula_reduced": "Mn4Al9",
"formula_anonymous": "A4B9",
"energy": -880.59764651,
"energy_per_atom": -5.644856708397436,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -880.59764651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 60.0580876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.411000Z",
"spacegroup": 62
},
{
"id": "mp-1247584",
"created_at": "2022-09-04T14:43:56.878417Z",
"structure_string": "Sr4 Ca28 Ti8 Mn24 O92\n1.0\n10.935836 -0.002474 -0.032183\n-0.003169 15.459026 -0.016266\n-0.031573 -0.011472 10.823855\nSr Ca Ti Mn O\n4 28 8 24 92\ndirect\n0.005639 0.120149 0.503829 Sr\n0.496530 0.381881 0.996826 Sr\n0.240598 0.386577 0.251541 Sr\n0.247158 0.118742 0.265194 Sr\n0.010510 0.116890 0.997200 Ca\n0.019706 0.625609 0.495860 Ca\n0.020743 0.625706 0.996079 Ca\n0.528560 0.131952 0.506268 Ca\n0.537730 0.121866 0.972303 Ca\n0.525985 0.624563 0.497388 Ca\n0.521609 0.624703 0.994405 Ca\n0.483018 0.385697 0.508660 Ca\n0.486731 0.866715 0.996446 Ca\n0.484736 0.863505 0.514455 Ca\n0.967624 0.388835 0.000990 Ca\n0.974583 0.384060 0.503629 Ca\n0.973203 0.867975 0.004607 Ca\n0.969448 0.867225 0.503787 Ca\n0.227865 0.386368 0.736816 Ca\n0.227640 0.868690 0.246051 Ca\n0.231160 0.863607 0.750072 Ca\n0.734844 0.387182 0.246367 Ca\n0.725549 0.380982 0.746528 Ca\n0.732867 0.864701 0.247839 Ca\n0.725989 0.870411 0.744782 Ca\n0.277833 0.117322 0.737791 Ca\n0.274308 0.626357 0.254314 Ca\n0.273723 0.625031 0.757697 Ca\n0.771851 0.117765 0.250283 Ca\n0.766385 0.125227 0.753165 Ca\n0.769652 0.624579 0.253375 Ca\n0.769953 0.625588 0.754550 Ca\n0.994289 0.991407 0.248375 Ti\n0.988452 0.995553 0.757778 Ti\n0.251013 0.994134 0.994318 Ti\n0.232889 0.989056 0.514533 Ti\n0.255722 0.244179 0.962025 Ti\n0.245788 0.255685 0.503750 Ti\n0.985534 0.252692 0.266201 Ti\n0.988535 0.253725 0.751136 Ti\n0.000561 0.503669 0.249447 Mn\n0.000260 0.502764 0.749997 Mn\n0.508791 0.984788 0.241837 Mn\n0.502707 0.998073 0.748977 Mn\n0.501507 0.506355 0.250762 Mn\n0.500241 0.503203 0.748236 Mn\n0.249532 0.504257 0.001917 Mn\n0.250920 0.506131 0.501614 Mn\n0.747962 0.996587 0.997940 Mn\n0.742675 0.999063 0.499620 Mn\n0.749859 0.504246 0.000274 Mn\n0.750866 0.501871 0.500792 Mn\n0.249922 0.747914 0.003384 Mn\n0.251768 0.747702 0.499589 Mn\n0.750741 0.249790 0.001164 Mn\n0.746564 0.251890 0.502757 Mn\n0.749652 0.749094 0.000300 Mn\n0.750033 0.748053 0.500176 Mn\n0.000339 0.746815 0.250305 Mn\n0.000612 0.748294 0.750994 Mn\n0.519464 0.257876 0.264278 Mn\n0.504449 0.250949 0.744590 Mn\n0.499704 0.748123 0.251621 Mn\n0.500884 0.747587 0.751559 Mn\n0.103480 0.265245 0.596331 O\n0.106235 0.771975 0.105317 O\n0.107633 0.772800 0.604039 O\n0.594708 0.252195 0.105907 O\n0.599732 0.269018 0.595401 O\n0.607300 0.772889 0.109112 O\n0.608900 0.766143 0.608064 O\n0.397516 0.221444 0.373054 O\n0.405929 0.229548 0.896432 O\n0.396003 0.725375 0.397240 O\n0.396234 0.731049 0.897367 O\n0.892387 0.235943 0.398879 O\n0.900608 0.234331 0.900397 O\n0.897417 0.730810 0.396058 O\n0.897602 0.730285 0.896167 O\n0.144792 0.244251 0.344807 O\n0.150798 0.230614 0.836290 O\n0.147751 0.730552 0.351858 O\n0.148046 0.731235 0.852477 O\n0.655305 0.221038 0.355851 O\n0.649511 0.231310 0.851519 O\n0.646385 0.728405 0.354341 O\n0.645011 0.729467 0.855831 O\n0.353622 0.261846 0.643433 O\n0.357500 0.773419 0.145476 O\n0.356647 0.768978 0.644166 O\n0.863707 0.271990 0.140263 O\n0.852809 0.271102 0.648001 O\n0.857600 0.769830 0.144456 O\n0.857757 0.771726 0.645417 O\n0.361979 0.491073 0.140878 O\n0.355867 0.484055 0.642640 O\n0.356739 0.993264 0.157615 O\n0.357129 0.981338 0.642102 O\n0.858246 0.482725 0.144542 O\n0.857045 0.478148 0.645473 O\n0.853197 0.979230 0.142618 O\n0.855387 0.979823 0.643814 O\n0.138444 0.004957 0.362866 O\n0.146147 0.022856 0.860783 O\n0.146463 0.522086 0.353977 O\n0.147558 0.516417 0.851650 O\n0.623520 0.029863 0.356601 O\n0.648986 0.019289 0.848739 O\n0.646410 0.520510 0.355863 O\n0.643765 0.519479 0.855643 O\n0.394183 0.022131 0.895274 O\n0.393977 0.521945 0.395821 O\n0.392805 0.516950 0.892122 O\n0.881543 0.014833 0.386465 O\n0.894498 0.013385 0.898131 O\n0.898045 0.518578 0.396269 O\n0.897297 0.518915 0.895735 O\n0.102175 0.485410 0.103928 O\n0.105599 0.479988 0.605695 O\n0.107175 0.984463 0.107712 O\n0.103097 0.975420 0.611381 O\n0.614367 0.486530 0.112326 O\n0.608117 0.483533 0.604853 O\n0.603631 0.985173 0.093736 O\n0.598930 0.980119 0.599287 O\n0.007964 0.377652 0.277292 O\n0.012079 0.375911 0.786200 O\n0.005272 0.871532 0.283630 O\n0.010964 0.873345 0.789762 O\n0.498574 0.379191 0.280201 O\n0.506018 0.375957 0.771338 O\n0.507593 0.871744 0.300463 O\n0.507928 0.873760 0.784088 O\n0.495530 0.124526 0.716622 O\n0.492342 0.628797 0.209854 O\n0.490766 0.625368 0.713089 O\n0.997733 0.129187 0.218603 O\n0.987535 0.123742 0.725823 O\n0.987061 0.626108 0.210185 O\n0.987764 0.625270 0.709754 O\n0.224827 0.148357 0.053775 O\n0.252450 0.116897 0.515962 O\n0.238424 0.630504 0.038175 O\n0.235006 0.626593 0.542874 O\n0.748782 0.122494 0.034651 O\n0.746254 0.126088 0.539960 O\n0.741466 0.627247 0.036967 O\n0.744804 0.624486 0.538433 O\n0.263951 0.375333 0.475753 O\n0.248311 0.356439 0.012062 O\n0.270471 0.875362 0.458902 O\n0.262449 0.878432 0.967170 O\n0.756702 0.375971 0.460755 O\n0.749537 0.376344 0.967980 O\n0.753272 0.873382 0.462628 O\n0.756179 0.873538 0.961097 O\n",
"nsites": 156,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.216206413981069,
"density_atomic": 0.0852536044404464,
"volume": 1829.834656539047,
"volume_molar": 7.063796070002818,
"formula_full": "Sr4 Ca28 Ti8 Mn24 O92",
"formula_reduced": "SrCa7Ti2Mn6O23",
"formula_anonymous": "AB2C6D7E23",
"energy": -1232.43522155,
"energy_per_atom": -7.900225779166667,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1129.19922155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 80.0002145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.845000Z",
"spacegroup": 1
},
{
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{
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{
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{
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"structure_string": "Sr4 Ca28 Mn32 O92\n1.0\n10.904333 -0.004457 -0.023966\n-0.006066 15.288699 -0.012150\n-0.023588 -0.008624 10.755649\nSr Ca Mn O\n4 28 32 92\ndirect\n0.014452 0.123185 0.501067 Sr\n0.493373 0.380459 0.997177 Sr\n0.237256 0.383760 0.252548 Sr\n0.249558 0.119164 0.257961 Sr\n0.018480 0.117047 0.988336 Ca\n0.022643 0.625737 0.495072 Ca\n0.022402 0.626461 0.994936 Ca\n0.526921 0.129631 0.508465 Ca\n0.533482 0.121434 0.975030 Ca\n0.524053 0.625013 0.496204 Ca\n0.522111 0.625868 0.994966 Ca\n0.478221 0.381885 0.512134 Ca\n0.478858 0.870775 0.997150 Ca\n0.479802 0.865923 0.514808 Ca\n0.968640 0.383561 0.999109 Ca\n0.975400 0.377492 0.503414 Ca\n0.976389 0.872841 0.005055 Ca\n0.973424 0.872585 0.504742 Ca\n0.224041 0.379837 0.740083 Ca\n0.224188 0.871855 0.243519 Ca\n0.227240 0.872823 0.748475 Ca\n0.738027 0.382611 0.246990 Ca\n0.727621 0.377958 0.745222 Ca\n0.735034 0.867477 0.245776 Ca\n0.727872 0.873107 0.745887 Ca\n0.273850 0.120269 0.745219 Ca\n0.272444 0.626650 0.255066 Ca\n0.272835 0.625960 0.755402 Ca\n0.778771 0.120732 0.253973 Ca\n0.774439 0.123715 0.755814 Ca\n0.772509 0.625234 0.254758 Ca\n0.772351 0.625404 0.754872 Ca\n0.997871 0.996240 0.248245 Mn\n0.996810 0.996512 0.752853 Mn\n0.999965 0.502100 0.249100 Mn\n0.999492 0.501128 0.749209 Mn\n0.511323 0.984644 0.239536 Mn\n0.500933 0.998097 0.748491 Mn\n0.501547 0.505278 0.251149 Mn\n0.499966 0.502811 0.748064 Mn\n0.251673 0.000365 0.998542 Mn\n0.239672 0.993052 0.508802 Mn\n0.249127 0.503457 0.000090 Mn\n0.249715 0.502652 0.502615 Mn\n0.752233 0.998741 0.996867 Mn\n0.746586 0.998915 0.500218 Mn\n0.750190 0.503441 0.000379 Mn\n0.750592 0.500942 0.500216 Mn\n0.256284 0.246357 0.968991 Mn\n0.249973 0.250624 0.501419 Mn\n0.249618 0.750259 0.000364 Mn\n0.250291 0.749801 0.499906 Mn\n0.752333 0.248634 0.999772 Mn\n0.751083 0.249739 0.505710 Mn\n0.749795 0.750076 0.999318 Mn\n0.750183 0.748789 0.500454 Mn\n0.991555 0.251567 0.257840 Mn\n0.996194 0.250765 0.749394 Mn\n0.999895 0.748831 0.249391 Mn\n0.000066 0.749620 0.749722 Mn\n0.520570 0.257970 0.267249 Mn\n0.503110 0.251000 0.745393 Mn\n0.499283 0.748781 0.251222 Mn\n0.500409 0.748707 0.751187 Mn\n0.103977 0.269478 0.603991 O\n0.104266 0.770724 0.104060 O\n0.105235 0.772069 0.602981 O\n0.592442 0.253132 0.109967 O\n0.597954 0.267284 0.599252 O\n0.605568 0.773336 0.105815 O\n0.607506 0.767742 0.606101 O\n0.396329 0.221442 0.373651 O\n0.407116 0.230933 0.897722 O\n0.396137 0.727266 0.397534 O\n0.396438 0.730356 0.896603 O\n0.885779 0.233181 0.399850 O\n0.896830 0.231595 0.901616 O\n0.895516 0.729973 0.396890 O\n0.895523 0.729300 0.896327 O\n0.144511 0.239832 0.348792 O\n0.136713 0.228356 0.851714 O\n0.146153 0.730351 0.352241 O\n0.146162 0.730174 0.852649 O\n0.651070 0.219921 0.358469 O\n0.647423 0.229473 0.853508 O\n0.646971 0.728944 0.353418 O\n0.645644 0.729011 0.854713 O\n0.351977 0.267199 0.648433 O\n0.355816 0.772143 0.146623 O\n0.355000 0.770683 0.646707 O\n0.859650 0.273765 0.141512 O\n0.850506 0.271245 0.647696 O\n0.855560 0.769516 0.145273 O\n0.855234 0.771229 0.645811 O\n0.360223 0.488239 0.140876 O\n0.354478 0.481900 0.646338 O\n0.358907 0.990796 0.157644 O\n0.357452 0.978260 0.641443 O\n0.856439 0.481121 0.144202 O\n0.854721 0.479385 0.645903 O\n0.852683 0.979326 0.146880 O\n0.851151 0.978992 0.646072 O\n0.140516 0.009382 0.359773 O\n0.146730 0.021728 0.856704 O\n0.145804 0.520597 0.353715 O\n0.146959 0.518283 0.851907 O\n0.622867 0.030253 0.354895 O\n0.647510 0.020481 0.850561 O\n0.646557 0.520665 0.354465 O\n0.644455 0.519953 0.855113 O\n0.395205 0.020362 0.894635 O\n0.394713 0.520807 0.396125 O\n0.394029 0.519496 0.893278 O\n0.884805 0.018232 0.388512 O\n0.894038 0.017122 0.897023 O\n0.896132 0.519375 0.396539 O\n0.896331 0.519052 0.897726 O\n0.102479 0.481639 0.102790 O\n0.104353 0.479394 0.604321 O\n0.106012 0.981099 0.105412 O\n0.098455 0.977251 0.613048 O\n0.612958 0.484992 0.111475 O\n0.605994 0.482723 0.603027 O\n0.605288 0.984941 0.093852 O\n0.599712 0.980842 0.598984 O\n0.007803 0.376446 0.281777 O\n0.009495 0.376039 0.788365 O\n0.007697 0.873316 0.288558 O\n0.009813 0.873495 0.792241 O\n0.498919 0.379053 0.281173 O\n0.510197 0.375723 0.774832 O\n0.508708 0.871538 0.300400 O\n0.511676 0.874301 0.786418 O\n0.490442 0.124554 0.716861 O\n0.490322 0.628375 0.210009 O\n0.489489 0.625608 0.710643 O\n0.999573 0.127211 0.210756 O\n0.987491 0.124171 0.722646 O\n0.988444 0.625362 0.210038 O\n0.988745 0.625234 0.710319 O\n0.240272 0.135627 0.037626 O\n0.256699 0.120254 0.524397 O\n0.237654 0.626149 0.038602 O\n0.238268 0.626075 0.540562 O\n0.743551 0.124236 0.039038 O\n0.742749 0.124204 0.542886 O\n0.739952 0.626489 0.039257 O\n0.740539 0.625199 0.539930 O\n0.265514 0.375383 0.472876 O\n0.250634 0.366206 0.989288 O\n0.268058 0.875054 0.458073 O\n0.262938 0.876717 0.964684 O\n0.755221 0.375457 0.461438 O\n0.750231 0.375119 0.964199 O\n0.756531 0.875108 0.459470 O\n0.759602 0.874447 0.960430 O\n",
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"elements": [
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"formula_full": "Sr4 Ca28 Mn32 O92",
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"updated_at": "2021-11-28T01:36:58.548000Z",
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{
"id": "mp-1182635",
"created_at": "2022-09-04T14:42:02.995869Z",
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{
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"elements": [
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"formula_full": "H8 Os20 C64 O64",
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"updated_at": "2021-11-28T01:35:30.297000Z",
"spacegroup": 62
},
{
"id": "mp-699908",
"created_at": "2022-09-04T14:42:16.826748Z",
"structure_string": "Mn36 P24 O96\n1.0\n10.197574 0.000000 0.000000\n0.000000 9.079192 0.000000\n0.000000 3.376882 21.048957\nMn P O\n36 24 96\ndirect\n0.295680 0.100647 0.703554 Mn\n0.584146 0.792704 0.783241 Mn\n0.894400 0.599832 0.606797 Mn\n0.204320 0.600647 0.203554 Mn\n0.885729 0.721898 0.424394 Mn\n0.779849 0.737042 0.140747 Mn\n0.915854 0.292704 0.283241 Mn\n0.385729 0.778102 0.075606 Mn\n0.216310 0.955392 0.542959 Mn\n0.387407 0.105639 0.416746 Mn\n0.610377 0.543202 0.256854 Mn\n0.394400 0.900168 0.893203 Mn\n0.094272 0.064844 0.059581 Mn\n0.105600 0.400168 0.393203 Mn\n0.612593 0.894361 0.583254 Mn\n0.110377 0.956798 0.243146 Mn\n0.405728 0.564844 0.559581 Mn\n0.716310 0.544608 0.957041 Mn\n0.905728 0.935156 0.940419 Mn\n0.889623 0.043202 0.756854 Mn\n0.112593 0.605639 0.916746 Mn\n0.114271 0.278102 0.575606 Mn\n0.887407 0.394361 0.083254 Mn\n0.704320 0.899353 0.296446 Mn\n0.415854 0.207296 0.216759 Mn\n0.720151 0.237042 0.640747 Mn\n0.389623 0.456798 0.743146 Mn\n0.605600 0.099832 0.106797 Mn\n0.084146 0.707296 0.716759 Mn\n0.594272 0.435156 0.440419 Mn\n0.795680 0.399353 0.796446 Mn\n0.279849 0.762958 0.359253 Mn\n0.783690 0.044608 0.457041 Mn\n0.283690 0.455392 0.042959 Mn\n0.614271 0.221898 0.924394 Mn\n0.220151 0.262958 0.859253 Mn\n0.369239 0.449607 0.327870 P\n0.943247 0.299835 0.939076 P\n0.854043 0.372165 0.499087 P\n0.068384 0.349451 0.718141 P\n0.145957 0.627835 0.500913 P\n0.568384 0.150549 0.781859 P\n0.556753 0.799835 0.439076 P\n0.575381 0.466988 0.105564 P\n0.056753 0.700165 0.060924 P\n0.443247 0.200165 0.560924 P\n0.869239 0.050393 0.172130 P\n0.924619 0.966988 0.605564 P\n0.643025 0.192038 0.330832 P\n0.130761 0.949607 0.827870 P\n0.354043 0.127835 0.000913 P\n0.645957 0.872165 0.999087 P\n0.431616 0.849451 0.218141 P\n0.075381 0.033012 0.394436 P\n0.424619 0.533012 0.894436 P\n0.630761 0.550393 0.672130 P\n0.856975 0.692038 0.830832 P\n0.356975 0.807962 0.669168 P\n0.931616 0.650549 0.281859 P\n0.143025 0.307962 0.169168 P\n0.391935 0.089599 0.517362 O\n0.551527 0.777254 0.256649 O\n0.501443 0.843001 0.981800 O\n0.739985 0.431079 0.691337 O\n0.078518 0.898452 0.766322 O\n0.051527 0.722746 0.243351 O\n0.469639 0.690813 0.862508 O\n0.802255 0.177768 0.125266 O\n0.260015 0.568921 0.308663 O\n0.040500 0.056626 0.570010 O\n0.934721 0.724788 0.889718 O\n0.108065 0.589599 0.017362 O\n0.302255 0.322232 0.374734 O\n0.948473 0.277254 0.756649 O\n0.181357 0.379853 0.763187 O\n0.742841 0.582342 0.853290 O\n0.566776 0.126187 0.597089 O\n0.942206 0.611576 0.786503 O\n0.866949 0.056908 0.655513 O\n0.514714 0.475290 0.642268 O\n0.557794 0.111576 0.286503 O\n0.959500 0.943374 0.429990 O\n0.616161 0.265010 0.823969 O\n0.421482 0.398452 0.266322 O\n0.366949 0.443092 0.844487 O\n0.197745 0.822232 0.874734 O\n0.669462 0.777768 0.392920 O\n0.814971 0.946850 0.557233 O\n0.792130 0.837897 0.795377 O\n0.485286 0.524710 0.357732 O\n0.185029 0.053150 0.442767 O\n0.921482 0.101548 0.233678 O\n0.681357 0.120147 0.736813 O\n0.318643 0.879853 0.263187 O\n0.257159 0.417658 0.146710 O\n0.978824 0.147289 0.978736 O\n0.330538 0.222232 0.607080 O\n0.966242 0.500061 0.324446 O\n0.295799 0.983364 0.040933 O\n0.466242 0.999939 0.175554 O\n0.704201 0.016636 0.959067 O\n0.258561 0.249742 0.015247 O\n0.540500 0.443374 0.929990 O\n0.891935 0.410401 0.982638 O\n0.883839 0.765010 0.323969 O\n0.530361 0.309187 0.137492 O\n0.998557 0.343001 0.481800 O\n0.065279 0.275212 0.110282 O\n0.533758 0.000061 0.824446 O\n0.057794 0.388424 0.213497 O\n0.795799 0.516636 0.459067 O\n0.478824 0.352711 0.521264 O\n0.649558 0.881626 0.072148 O\n0.001443 0.656999 0.518200 O\n0.707870 0.337897 0.295377 O\n0.850442 0.381626 0.572148 O\n0.933224 0.626187 0.097089 O\n0.830538 0.277768 0.892920 O\n0.498557 0.156999 0.018200 O\n0.442206 0.888424 0.713497 O\n0.383839 0.734990 0.176031 O\n0.760015 0.931079 0.191337 O\n0.578518 0.601548 0.733678 O\n0.818643 0.620147 0.236813 O\n0.030361 0.190813 0.362508 O\n0.169462 0.722232 0.107080 O\n0.433224 0.873813 0.402911 O\n0.133051 0.943092 0.344487 O\n0.565279 0.224788 0.389718 O\n0.149558 0.618374 0.427852 O\n0.608065 0.910401 0.482638 O\n0.758561 0.250258 0.484753 O\n0.021176 0.852711 0.021264 O\n0.033758 0.499939 0.675554 O\n0.741439 0.750258 0.984753 O\n0.633051 0.556908 0.155513 O\n0.685029 0.446850 0.057233 O\n0.204201 0.483364 0.540933 O\n0.985286 0.975290 0.142268 O\n0.459500 0.556626 0.070010 O\n0.969639 0.809187 0.637492 O\n0.757159 0.082342 0.353290 O\n0.448473 0.222746 0.743351 O\n0.116161 0.234990 0.676031 O\n0.014714 0.024710 0.857732 O\n0.314971 0.553150 0.942767 O\n0.241439 0.749742 0.515247 O\n0.066776 0.373813 0.902911 O\n0.242841 0.917658 0.646710 O\n0.434721 0.775212 0.610282 O\n0.239985 0.068921 0.808663 O\n0.521176 0.647289 0.478736 O\n0.350442 0.118374 0.927852 O\n0.207870 0.162103 0.204623 O\n0.292130 0.662103 0.704623 O\n0.697745 0.677768 0.625266 O\n",
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"formula_full": "Mn36 P24 O96",
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"spacegroup": 14
}
]
}