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{
"id": "mp-1099945",
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"structure_string": "K16 Na16 W32 O80\n1.0\n0.003136 0.019559 11.645137\n11.759202 0.024042 0.003512\n-5.849072 15.493078 -5.798095\nK Na W O\n16 16 32 80\ndirect\n0.305188 0.067430 0.108703 K\n0.302131 0.560161 0.106473 K\n0.805442 0.062662 0.110152 K\n0.803684 0.561170 0.108086 K\n0.201591 0.934757 0.393449 K\n0.191635 0.927724 0.881598 K\n0.702886 0.437674 0.397008 K\n0.691919 0.428075 0.883847 K\n0.701292 0.933705 0.394329 K\n0.058446 0.293382 0.109775 K\n0.053071 0.791115 0.105546 K\n0.553769 0.291002 0.108010 K\n0.553374 0.794138 0.104959 K\n0.452472 0.713150 0.395364 K\n0.439427 0.706186 0.881700 K\n0.940873 0.703858 0.881308 K\n0.299449 0.070869 0.604436 Na\n0.301638 0.563472 0.600530 Na\n0.803624 0.066970 0.603931 Na\n0.798384 0.568413 0.601824 Na\n0.204038 0.439624 0.406134 Na\n0.198672 0.434838 0.896826 Na\n0.697039 0.934207 0.895406 Na\n0.052089 0.282748 0.604071 Na\n0.050599 0.786975 0.600892 Na\n0.551102 0.285675 0.602889 Na\n0.553229 0.785871 0.602722 Na\n0.456365 0.216267 0.408392 Na\n0.448382 0.210614 0.896360 Na\n0.953568 0.218645 0.406466 Na\n0.946914 0.211314 0.895743 Na\n0.951053 0.717513 0.403994 Na\n0.005679 0.998201 0.995914 W\n0.015907 0.002094 0.504080 W\n0.002483 0.495456 0.994807 W\n0.014961 0.502429 0.502269 W\n0.503553 0.997736 0.993793 W\n0.514604 0.006078 0.506405 W\n0.504609 0.495674 0.994829 W\n0.515914 0.501652 0.506608 W\n0.254690 0.249195 0.995513 W\n0.264668 0.254621 0.505735 W\n0.252717 0.744315 0.992915 W\n0.264591 0.749632 0.503681 W\n0.755531 0.243880 0.993501 W\n0.768339 0.251981 0.506202 W\n0.753028 0.747652 0.993957 W\n0.765031 0.752973 0.506146 W\n0.099236 0.108965 0.259841 W\n0.087733 0.098071 0.748009 W\n0.096002 0.592990 0.256470 W\n0.087437 0.581899 0.737934 W\n0.597212 0.101680 0.257705 W\n0.584758 0.088339 0.746590 W\n0.598071 0.592166 0.250081 W\n0.587110 0.588443 0.742586 W\n0.346806 0.404073 0.260089 W\n0.336273 0.400279 0.748384 W\n0.348178 0.912453 0.248984 W\n0.336212 0.907943 0.738973 W\n0.855408 0.404511 0.252501 W\n0.841306 0.399371 0.743367 W\n0.852222 0.908535 0.251177 W\n0.833832 0.911885 0.746089 W\n0.130315 0.124557 0.490229 O\n0.123185 0.121329 0.985254 O\n0.128691 0.615985 0.483175 O\n0.122809 0.612939 0.982723 O\n0.633035 0.125531 0.494703 O\n0.623159 0.115221 0.981005 O\n0.632212 0.622360 0.493528 O\n0.622782 0.617783 0.984605 O\n0.131463 0.376396 0.002392 O\n0.148326 0.388118 0.522146 O\n0.133962 0.875136 0.005264 O\n0.146244 0.880981 0.519693 O\n0.632728 0.373253 0.004363 O\n0.648457 0.384612 0.523434 O\n0.633691 0.877554 0.003008 O\n0.648823 0.887878 0.525466 O\n0.382060 0.122988 0.489174 O\n0.374151 0.118920 0.982318 O\n0.380929 0.616616 0.492649 O\n0.371111 0.612756 0.983189 O\n0.883687 0.119928 0.488187 O\n0.874098 0.115242 0.982364 O\n0.884237 0.622501 0.491752 O\n0.872509 0.616193 0.985106 O\n0.382641 0.377036 0.002848 O\n0.397882 0.385603 0.521277 O\n0.381891 0.877184 0.004263 O\n0.399049 0.890547 0.526221 O\n0.885071 0.375722 0.005726 O\n0.900172 0.385867 0.521693 O\n0.880799 0.878042 0.003357 O\n0.897918 0.886111 0.521400 O\n0.073420 0.081670 0.137610 O\n0.092148 0.105999 0.639153 O\n0.069977 0.583195 0.139773 O\n0.091708 0.612539 0.638425 O\n0.571332 0.079804 0.136057 O\n0.586860 0.110155 0.642337 O\n0.574359 0.588841 0.134818 O\n0.595377 0.612454 0.640286 O\n0.447050 0.391477 0.367759 O\n0.439536 0.393813 0.857393 O\n0.448417 0.916578 0.365106 O\n0.440800 0.914552 0.854181 O\n0.954501 0.394428 0.364804 O\n0.935455 0.398487 0.856739 O\n0.947714 0.899501 0.364972 O\n0.943400 0.912865 0.857574 O\n0.324850 0.309054 0.138729 O\n0.339226 0.282117 0.640187 O\n0.325245 0.797909 0.137670 O\n0.337446 0.776139 0.639376 O\n0.830133 0.296520 0.136867 O\n0.851107 0.276719 0.640201 O\n0.828645 0.798468 0.137793 O\n0.838012 0.785825 0.642793 O\n0.201262 0.226852 0.367417 O\n0.189293 0.212115 0.857485 O\n0.207427 0.705464 0.366448 O\n0.186809 0.690481 0.854273 O\n0.704989 0.210519 0.367686 O\n0.701214 0.195927 0.855800 O\n0.699550 0.701220 0.366678 O\n0.681829 0.705770 0.855438 O\n0.443869 0.078328 0.273346 O\n0.418687 0.069881 0.750402 O\n0.440415 0.544304 0.250564 O\n0.418718 0.539205 0.730145 O\n0.947931 0.073533 0.276087 O\n0.923166 0.065518 0.749942 O\n0.939730 0.569610 0.270187 O\n0.918126 0.542227 0.727785 O\n0.192280 0.450186 0.273158 O\n0.172114 0.432249 0.751272 O\n0.187744 0.956590 0.247396 O\n0.166937 0.939735 0.728551 O\n0.696721 0.451023 0.253984 O\n0.672681 0.435313 0.731679 O\n0.691755 0.954593 0.248110 O\n0.666504 0.933986 0.746994 O\n",
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"elements": [
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"formula_full": "K16 Na16 W32 O80",
"formula_reduced": "KNaW2O5",
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"updated_at": "2021-11-28T01:35:56.759000Z",
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},
{
"id": "mp-1076889",
"created_at": "2022-09-04T14:45:52.887470Z",
"structure_string": "La28 Sm4 V28 Cr4 O80\n1.0\n-0.020124 -0.017876 11.044417\n11.507048 0.038494 -0.021521\n-5.689455 16.103807 -5.536387\nLa Sm V Cr O\n28 4 28 4 80\ndirect\n0.305294 0.061872 0.115575 La\n0.308998 0.063140 0.618754 La\n0.312299 0.567144 0.621115 La\n0.813473 0.059040 0.613220 La\n0.809169 0.562035 0.117636 La\n0.811752 0.568544 0.618826 La\n0.198573 0.438018 0.389482 La\n0.199344 0.443610 0.891178 La\n0.197418 0.937614 0.386676 La\n0.194853 0.935231 0.880868 La\n0.698153 0.437779 0.389171 La\n0.692503 0.935311 0.384921 La\n0.691177 0.934544 0.879087 La\n0.059968 0.305498 0.113277 La\n0.060818 0.307092 0.614118 La\n0.061135 0.804392 0.618661 La\n0.554862 0.306759 0.109572 La\n0.557391 0.308933 0.614773 La\n0.551987 0.800685 0.112174 La\n0.559669 0.803267 0.618436 La\n0.443875 0.194144 0.382838 La\n0.444557 0.196121 0.884723 La\n0.442490 0.694453 0.381478 La\n0.440094 0.690124 0.881039 La\n0.947280 0.192686 0.384276 La\n0.949742 0.193413 0.887700 La\n0.946812 0.697359 0.383398 La\n0.946010 0.694181 0.880666 La\n0.310279 0.564652 0.113358 Sm\n0.811485 0.062741 0.106853 Sm\n0.697403 0.441631 0.894508 Sm\n0.059932 0.798100 0.108782 Sm\n0.004247 0.999148 0.498388 V\n0.003332 0.498793 0.497591 V\n0.505258 0.001562 0.501569 V\n0.508689 0.501524 0.999784 V\n0.504542 0.499984 0.499218 V\n0.254839 0.249932 0.001988 V\n0.254801 0.249894 0.499818 V\n0.255652 0.754346 0.001693 V\n0.253774 0.750039 0.498892 V\n0.759578 0.249096 0.000571 V\n0.755432 0.249354 0.500195 V\n0.753488 0.749162 0.498910 V\n0.113794 0.108148 0.247661 V\n0.121302 0.118914 0.750912 V\n0.125578 0.610211 0.246517 V\n0.114793 0.620048 0.749313 V\n0.615374 0.102738 0.245525 V\n0.615443 0.111974 0.752009 V\n0.615160 0.621478 0.248973 V\n0.617543 0.618644 0.754159 V\n0.354894 0.389827 0.248827 V\n0.355617 0.382526 0.752287 V\n0.349498 0.882355 0.250030 V\n0.368117 0.877935 0.752860 V\n0.856957 0.394834 0.248338 V\n0.855879 0.392045 0.752041 V\n0.855909 0.889444 0.244954 V\n0.870299 0.882938 0.752313 V\n0.004153 0.997408 0.001155 Cr\n0.004911 0.502182 0.000247 Cr\n0.509706 0.000733 0.002038 Cr\n0.759459 0.752710 0.002055 Cr\n0.116230 0.110829 0.476996 O\n0.114223 0.108215 0.977063 O\n0.113335 0.607984 0.472071 O\n0.114613 0.613255 0.977225 O\n0.615779 0.109781 0.475549 O\n0.617234 0.108668 0.974101 O\n0.615340 0.609705 0.475685 O\n0.623361 0.622493 0.978145 O\n0.140715 0.393774 0.026245 O\n0.138952 0.389302 0.522106 O\n0.139183 0.890728 0.030935 O\n0.139126 0.890310 0.523375 O\n0.644738 0.385457 0.026493 O\n0.639467 0.389125 0.523176 O\n0.648676 0.889139 0.028139 O\n0.639340 0.890459 0.524071 O\n0.368823 0.109060 0.475384 O\n0.372188 0.108782 0.977758 O\n0.368189 0.608295 0.473587 O\n0.366664 0.612589 0.975282 O\n0.866555 0.105858 0.474011 O\n0.865292 0.100813 0.976811 O\n0.867278 0.607231 0.472915 O\n0.867520 0.612677 0.976378 O\n0.386278 0.395256 0.024927 O\n0.389256 0.392351 0.520944 O\n0.396864 0.899107 0.030576 O\n0.391692 0.895011 0.525742 O\n0.890220 0.398057 0.024141 O\n0.890531 0.392448 0.522648 O\n0.895669 0.888981 0.029410 O\n0.889654 0.890098 0.519593 O\n0.065370 0.105335 0.124701 O\n0.066327 0.106943 0.625641 O\n0.079239 0.605832 0.124425 O\n0.070252 0.602855 0.623888 O\n0.593783 0.108440 0.128701 O\n0.577356 0.112423 0.630776 O\n0.569491 0.603303 0.130101 O\n0.571658 0.601456 0.627588 O\n0.447276 0.393638 0.369851 O\n0.468439 0.396100 0.870194 O\n0.444990 0.895492 0.372557 O\n0.447353 0.894988 0.878987 O\n0.942137 0.389220 0.367278 O\n0.948037 0.395143 0.873629 O\n0.949286 0.896687 0.367631 O\n0.947151 0.896571 0.877842 O\n0.332138 0.274800 0.131883 O\n0.332910 0.275596 0.630243 O\n0.327644 0.772672 0.130475 O\n0.324548 0.773506 0.627716 O\n0.838423 0.275406 0.133157 O\n0.829251 0.276182 0.634045 O\n0.839983 0.772185 0.127873 O\n0.825587 0.776610 0.627705 O\n0.185355 0.221023 0.368134 O\n0.190653 0.227820 0.872353 O\n0.190659 0.725944 0.368496 O\n0.191375 0.728678 0.873261 O\n0.696023 0.221878 0.366450 O\n0.702524 0.229636 0.869094 O\n0.687868 0.721272 0.368527 O\n0.703118 0.730643 0.878428 O\n0.431584 0.058673 0.250607 O\n0.434511 0.058647 0.752265 O\n0.430183 0.557969 0.243849 O\n0.432920 0.551170 0.750120 O\n0.909524 0.071060 0.242978 O\n0.927312 0.070419 0.751385 O\n0.937675 0.561079 0.250703 O\n0.931768 0.552900 0.749032 O\n0.168858 0.431694 0.251215 O\n0.170480 0.436251 0.750378 O\n0.154274 0.924514 0.242750 O\n0.184911 0.945759 0.747701 O\n0.670213 0.429727 0.250410 O\n0.672939 0.428129 0.758883 O\n0.672572 0.932949 0.249424 O\n0.686275 0.944899 0.747220 O\n",
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{
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"created_at": "2022-09-04T14:39:45.707999Z",
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"elements": [
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"Si",
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"chemical_system": "Li-N-Si",
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"formula_full": "Li80 Si16 N48",
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"updated_at": "2021-11-28T01:34:42.178000Z",
"spacegroup": 1
},
{
"id": "mp-571470",
"created_at": "2022-09-04T14:45:20.913914Z",
"structure_string": "Na48 Sn24 Se72\n1.0\n12.630123 0.000000 0.000000\n0.000000 14.183434 0.000000\n0.000000 0.000000 24.251028\nNa Sn Se\n48 24 72\ndirect\n0.878775 0.170089 0.831676 Na\n0.573363 0.622490 0.483637 Na\n0.075672 0.907035 0.653874 Na\n0.424328 0.407035 0.653874 Na\n0.936682 0.607197 0.991864 Na\n0.616550 0.114024 0.172617 Na\n0.621225 0.670089 0.668324 Na\n0.073363 0.877510 0.983637 Na\n0.071925 0.400811 0.168664 Na\n0.116550 0.385976 0.827383 Na\n0.573363 0.622490 0.016363 Na\n0.616550 0.114024 0.327383 Na\n0.073363 0.877510 0.516363 Na\n0.928075 0.599189 0.831336 Na\n0.621225 0.670089 0.831676 Na\n0.378775 0.329911 0.331676 Na\n0.936682 0.607197 0.508136 Na\n0.424328 0.407035 0.846126 Na\n0.878775 0.170089 0.668324 Na\n0.563318 0.107197 0.508136 Na\n0.426637 0.377510 0.516363 Na\n0.571925 0.099189 0.831336 Na\n0.428075 0.900811 0.331336 Na\n0.924328 0.092965 0.153874 Na\n0.378775 0.329911 0.168324 Na\n0.121225 0.829911 0.168324 Na\n0.075672 0.907035 0.846126 Na\n0.063318 0.392803 0.008136 Na\n0.063318 0.392803 0.491864 Na\n0.383450 0.885976 0.827383 Na\n0.926637 0.122490 0.016363 Na\n0.883450 0.614024 0.172617 Na\n0.928075 0.599189 0.668664 Na\n0.924328 0.092965 0.346126 Na\n0.383450 0.885976 0.672617 Na\n0.575672 0.592965 0.153874 Na\n0.428075 0.900811 0.168664 Na\n0.575672 0.592965 0.346126 Na\n0.116550 0.385976 0.672617 Na\n0.571925 0.099189 0.668664 Na\n0.121225 0.829911 0.331676 Na\n0.926637 0.122490 0.483637 Na\n0.436682 0.892803 0.008136 Na\n0.071925 0.400811 0.331336 Na\n0.883450 0.614024 0.327383 Na\n0.426637 0.377510 0.983637 Na\n0.563318 0.107197 0.991864 Na\n0.436682 0.892803 0.491864 Na\n0.720216 0.408716 0.582730 Sn\n0.279784 0.591284 0.082730 Sn\n0.779784 0.908716 0.917270 Sn\n0.269170 0.123894 0.916098 Sn\n0.230830 0.623894 0.583902 Sn\n0.273258 0.117924 0.250000 Sn\n0.269170 0.123894 0.583902 Sn\n0.779784 0.908716 0.582730 Sn\n0.720216 0.408716 0.917270 Sn\n0.220216 0.091284 0.417270 Sn\n0.226742 0.617924 0.250000 Sn\n0.230830 0.623894 0.916098 Sn\n0.730830 0.876106 0.083902 Sn\n0.274257 0.181702 0.750000 Sn\n0.725743 0.818298 0.250000 Sn\n0.769170 0.376106 0.416098 Sn\n0.773258 0.382076 0.750000 Sn\n0.730830 0.876106 0.416098 Sn\n0.279784 0.591284 0.417270 Sn\n0.220216 0.091284 0.082730 Sn\n0.225743 0.681702 0.750000 Sn\n0.769170 0.376106 0.083902 Sn\n0.774257 0.318298 0.250000 Sn\n0.726742 0.882076 0.750000 Sn\n0.672643 0.298903 0.667861 Se\n0.585051 0.945050 0.585500 Se\n0.085051 0.554950 0.085500 Se\n0.429787 0.473327 0.087301 Se\n0.440811 0.214018 0.907316 Se\n0.440811 0.214018 0.592684 Se\n0.254323 0.941459 0.250000 Se\n0.770954 0.553104 0.072939 Se\n0.166491 0.200685 0.999537 Se\n0.045606 0.692871 0.250000 Se\n0.229046 0.446896 0.927061 Se\n0.827357 0.798903 0.832139 Se\n0.270954 0.946896 0.927061 Se\n0.587696 0.945372 0.250000 Se\n0.194654 0.857219 0.750000 Se\n0.327357 0.701097 0.332139 Se\n0.270954 0.946896 0.572939 Se\n0.754323 0.558541 0.750000 Se\n0.172643 0.201097 0.332139 Se\n0.245677 0.441459 0.250000 Se\n0.833509 0.799315 0.499537 Se\n0.827357 0.798903 0.667861 Se\n0.805346 0.142781 0.250000 Se\n0.087696 0.554628 0.750000 Se\n0.559189 0.785982 0.092684 Se\n0.305346 0.357219 0.750000 Se\n0.172643 0.201097 0.167861 Se\n0.166491 0.200685 0.500463 Se\n0.729046 0.053104 0.072939 Se\n0.954394 0.307129 0.750000 Se\n0.666491 0.299315 0.499537 Se\n0.859550 0.842032 0.333234 Se\n0.085051 0.554950 0.414500 Se\n0.585051 0.945050 0.914500 Se\n0.672643 0.298903 0.832139 Se\n0.333509 0.700685 0.500463 Se\n0.940811 0.285982 0.407316 Se\n0.059189 0.714018 0.907316 Se\n0.666491 0.299315 0.000463 Se\n0.070213 0.973327 0.412699 Se\n0.833509 0.799315 0.000463 Se\n0.412304 0.054628 0.750000 Se\n0.570213 0.526673 0.587301 Se\n0.414949 0.054950 0.414500 Se\n0.140450 0.157968 0.833234 Se\n0.429787 0.473327 0.412699 Se\n0.859550 0.842032 0.166766 Se\n0.359550 0.657968 0.833234 Se\n0.929787 0.026673 0.587301 Se\n0.770954 0.553104 0.427061 Se\n0.454394 0.192871 0.250000 Se\n0.912304 0.445372 0.250000 Se\n0.929787 0.026673 0.912699 Se\n0.359550 0.657968 0.666766 Se\n0.545606 0.807129 0.750000 Se\n0.940811 0.285982 0.092684 Se\n0.140450 0.157968 0.666766 Se\n0.570213 0.526673 0.912699 Se\n0.640450 0.342032 0.333234 Se\n0.327357 0.701097 0.167861 Se\n0.729046 0.053104 0.427061 Se\n0.414949 0.054950 0.085500 Se\n0.229046 0.446896 0.572939 Se\n0.745677 0.058541 0.750000 Se\n0.059189 0.714018 0.592684 Se\n0.070213 0.973327 0.087301 Se\n0.914949 0.445050 0.914500 Se\n0.333509 0.700685 0.999537 Se\n0.559189 0.785982 0.407316 Se\n0.694654 0.642781 0.250000 Se\n0.914949 0.445050 0.585500 Se\n0.640450 0.342032 0.166766 Se\n",
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],
"chemical_system": "Na-Se-Sn",
"density": 3.6838503173169523,
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"volume": 4344.293166967193,
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"formula_full": "Na48 Sn24 Se72",
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"updated_at": "2021-11-28T01:37:09.056000Z",
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},
{
"id": "mp-1076496",
"created_at": "2022-09-04T14:39:29.127489Z",
"structure_string": "Sr16 Ca16 Mn32 O80\n1.0\n-0.001644 -0.012131 11.042109\n11.166806 0.000284 -0.001684\n-5.581989 15.734863 -5.537130\nSr Ca Mn O\n16 16 32 80\ndirect\n0.308830 0.559834 0.611231 Sr\n0.807545 0.056659 0.608721 Sr\n0.810655 0.558645 0.611191 Sr\n0.195831 0.439001 0.386318 Sr\n0.201014 0.442586 0.894069 Sr\n0.696353 0.439413 0.386208 Sr\n0.697643 0.937564 0.385912 Sr\n0.702146 0.941137 0.893869 Sr\n0.060982 0.299856 0.610579 Sr\n0.060027 0.802286 0.609811 Sr\n0.559114 0.301147 0.610826 Sr\n0.559209 0.801757 0.609687 Sr\n0.445845 0.197095 0.386356 Sr\n0.451413 0.201714 0.892217 Sr\n0.947119 0.196242 0.386322 Sr\n0.950340 0.201899 0.893448 Sr\n0.305222 0.063584 0.104490 Ca\n0.306953 0.058984 0.603990 Ca\n0.305438 0.564030 0.105787 Ca\n0.803787 0.063553 0.104064 Ca\n0.807036 0.563035 0.106189 Ca\n0.201711 0.936146 0.391944 Ca\n0.204385 0.938727 0.899570 Ca\n0.703349 0.439605 0.900074 Ca\n0.053992 0.291132 0.104971 Ca\n0.055945 0.791762 0.104816 Ca\n0.552863 0.290721 0.103476 Ca\n0.555422 0.790925 0.102925 Ca\n0.448114 0.704206 0.392004 Ca\n0.451453 0.709487 0.898324 Ca\n0.950190 0.704742 0.392027 Ca\n0.953958 0.710257 0.899578 Ca\n0.009710 0.000623 0.003731 Mn\n0.004700 0.997972 0.497343 Mn\n0.007175 0.502584 0.003307 Mn\n0.002278 0.499667 0.497615 Mn\n0.507946 0.000805 0.002822 Mn\n0.502192 0.998608 0.497441 Mn\n0.508422 0.502259 0.002997 Mn\n0.501904 0.499004 0.497227 Mn\n0.258140 0.252125 0.003659 Mn\n0.253422 0.247996 0.498557 Mn\n0.258343 0.752302 0.003008 Mn\n0.252600 0.748979 0.496929 Mn\n0.758301 0.253972 0.004665 Mn\n0.752898 0.249126 0.498356 Mn\n0.758447 0.749559 0.001719 Mn\n0.752575 0.746973 0.496283 Mn\n0.104769 0.085391 0.243558 Mn\n0.118442 0.093181 0.755645 Mn\n0.105254 0.598373 0.244872 Mn\n0.114734 0.604173 0.756622 Mn\n0.603262 0.085512 0.241478 Mn\n0.608766 0.099842 0.751852 Mn\n0.603672 0.592177 0.243188 Mn\n0.612891 0.596476 0.759095 Mn\n0.353285 0.408341 0.243420 Mn\n0.368286 0.408191 0.756185 Mn\n0.350709 0.897677 0.244067 Mn\n0.359790 0.904977 0.753872 Mn\n0.854585 0.409114 0.244387 Mn\n0.860180 0.415120 0.759585 Mn\n0.858779 0.896190 0.241659 Mn\n0.867938 0.903178 0.754226 Mn\n0.128404 0.118350 0.493831 O\n0.129963 0.121184 0.994902 O\n0.120884 0.623695 0.489438 O\n0.124955 0.626102 0.993229 O\n0.624920 0.122266 0.494343 O\n0.629190 0.125920 0.997942 O\n0.621959 0.622987 0.491592 O\n0.626787 0.621407 0.990617 O\n0.137518 0.382900 0.017227 O\n0.129205 0.375509 0.502709 O\n0.138381 0.880136 0.013092 O\n0.130959 0.876094 0.499035 O\n0.639401 0.384563 0.016694 O\n0.628421 0.375471 0.500846 O\n0.636454 0.877990 0.013460 O\n0.625267 0.871063 0.497472 O\n0.371431 0.116168 0.491744 O\n0.375211 0.117814 0.993379 O\n0.375775 0.623968 0.492730 O\n0.380115 0.624476 0.993955 O\n0.877562 0.121598 0.496666 O\n0.879672 0.122492 0.997466 O\n0.875251 0.622328 0.491866 O\n0.875554 0.618438 0.989915 O\n0.387665 0.385539 0.015560 O\n0.378510 0.376170 0.501924 O\n0.387776 0.883555 0.014246 O\n0.377877 0.878503 0.502739 O\n0.885341 0.385730 0.014169 O\n0.878407 0.375728 0.501257 O\n0.889909 0.881995 0.015050 O\n0.880503 0.873332 0.498985 O\n0.086867 0.090100 0.133359 O\n0.087071 0.074889 0.640282 O\n0.075175 0.596089 0.131143 O\n0.071766 0.583504 0.638926 O\n0.580055 0.092325 0.131537 O\n0.574598 0.078502 0.635268 O\n0.578228 0.596069 0.131730 O\n0.576364 0.579857 0.643415 O\n0.429678 0.417658 0.356874 O\n0.449008 0.415436 0.873281 O\n0.431982 0.913257 0.358952 O\n0.449042 0.913377 0.870255 O\n0.930821 0.417203 0.357627 O\n0.945637 0.415027 0.872676 O\n0.937492 0.914421 0.357478 O\n0.949546 0.910921 0.871738 O\n0.334259 0.291202 0.133286 O\n0.329631 0.301341 0.639384 O\n0.325311 0.786812 0.131459 O\n0.319459 0.803728 0.638358 O\n0.836271 0.293623 0.134555 O\n0.825860 0.315794 0.644352 O\n0.831481 0.783575 0.129242 O\n0.824205 0.806514 0.636666 O\n0.181091 0.188882 0.357213 O\n0.194502 0.206179 0.870613 O\n0.191253 0.697730 0.359656 O\n0.203190 0.712814 0.872961 O\n0.681661 0.183377 0.356220 O\n0.688522 0.209222 0.870050 O\n0.690078 0.687267 0.357530 O\n0.702830 0.707256 0.872001 O\n0.424608 0.058521 0.238083 O\n0.426757 0.066111 0.745160 O\n0.426262 0.577889 0.246272 O\n0.438695 0.583089 0.762163 O\n0.925999 0.062021 0.236920 O\n0.942768 0.067215 0.752552 O\n0.926615 0.577410 0.247482 O\n0.936909 0.579689 0.763737 O\n0.174002 0.428305 0.237961 O\n0.190407 0.441838 0.753844 O\n0.173689 0.917404 0.245840 O\n0.186966 0.927195 0.762565 O\n0.673012 0.424072 0.236710 O\n0.682906 0.430130 0.762750 O\n0.679346 0.921556 0.237206 O\n0.692619 0.941934 0.754224 O\n",
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"elements": [
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"Mn",
"O"
],
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"density": 4.3504093140404185,
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"formula_full": "Sr16 Ca16 Mn32 O80",
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"updated_at": "2021-11-28T01:34:23.915000Z",
"spacegroup": 1
},
{
"id": "mp-698262",
"created_at": "2022-09-04T14:39:28.135961Z",
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"formula_full": "V4 H64 C16 N12 O48",
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{
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"elements": [
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],
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"density": 5.425460950528131,
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"updated_at": "2021-11-28T01:34:53.974000Z",
"spacegroup": 14
},
{
"id": "mp-1099682",
"created_at": "2022-09-04T14:44:15.785570Z",
"structure_string": "Ba4 Sr28 Ti32 O80\n1.0\n-0.011455 0.011024 11.314798\n11.283031 -0.007520 -0.011503\n-5.644471 15.839322 -5.636832\nBa Sr Ti O\n4 28 32 80\ndirect\n0.308179 0.060962 0.122202 Ba\n0.307212 0.562850 0.122015 Ba\n0.808145 0.062830 0.121440 Ba\n0.058013 0.809144 0.121682 Ba\n0.304643 0.057613 0.612563 Sr\n0.305662 0.562558 0.615014 Sr\n0.804679 0.062521 0.614546 Sr\n0.805819 0.556411 0.113497 Sr\n0.805644 0.560898 0.614883 Sr\n0.191366 0.440922 0.385389 Sr\n0.191830 0.441634 0.886025 Sr\n0.189992 0.938123 0.382639 Sr\n0.189970 0.938298 0.884378 Sr\n0.690468 0.442402 0.384652 Sr\n0.689441 0.438190 0.883012 Sr\n0.689548 0.938766 0.382881 Sr\n0.689825 0.938936 0.884548 Sr\n0.054238 0.306392 0.114165 Sr\n0.055765 0.304718 0.613593 Sr\n0.056281 0.803711 0.616145 Sr\n0.555791 0.308354 0.114565 Sr\n0.556996 0.303087 0.614202 Sr\n0.556400 0.804155 0.116269 Sr\n0.555894 0.803189 0.614771 Sr\n0.438289 0.190533 0.384378 Sr\n0.441090 0.194729 0.884930 Sr\n0.440280 0.695216 0.384571 Sr\n0.440478 0.696901 0.884036 Sr\n0.941896 0.196375 0.384396 Sr\n0.939084 0.195602 0.882861 Sr\n0.942319 0.695236 0.387516 Sr\n0.941534 0.696650 0.885189 Sr\n0.996484 0.000083 0.997628 Ti\n0.997901 0.999477 0.499439 Ti\n0.995963 0.498013 0.997745 Ti\n0.998739 0.500614 0.500887 Ti\n0.496628 0.999901 0.998449 Ti\n0.498288 0.998866 0.499437 Ti\n0.498257 0.499920 0.998886 Ti\n0.498758 0.498759 0.500160 Ti\n0.247435 0.249367 0.998543 Ti\n0.248100 0.249931 0.499442 Ti\n0.248447 0.750256 0.998813 Ti\n0.248353 0.749914 0.500159 Ti\n0.746927 0.250207 0.998311 Ti\n0.749118 0.250699 0.499468 Ti\n0.745896 0.748040 0.997896 Ti\n0.749248 0.750963 0.500504 Ti\n0.118786 0.115845 0.252629 Ti\n0.114369 0.109579 0.749100 Ti\n0.119380 0.611707 0.251628 Ti\n0.113320 0.611112 0.749748 Ti\n0.624286 0.112062 0.252197 Ti\n0.617444 0.110154 0.748794 Ti\n0.620279 0.612238 0.251676 Ti\n0.612446 0.612910 0.749040 Ti\n0.369613 0.388043 0.252104 Ti\n0.365065 0.389325 0.749005 Ti\n0.373228 0.887959 0.253306 Ti\n0.366513 0.889394 0.749448 Ti\n0.869867 0.393494 0.251487 Ti\n0.861949 0.388992 0.749119 Ti\n0.869748 0.882534 0.251666 Ti\n0.866449 0.887299 0.749238 Ti\n0.118273 0.120662 0.491236 O\n0.118793 0.122712 0.992658 O\n0.120711 0.622843 0.495557 O\n0.119510 0.620889 0.993037 O\n0.619223 0.121987 0.491837 O\n0.618983 0.123839 0.994228 O\n0.618354 0.620648 0.490984 O\n0.619067 0.620477 0.992726 O\n0.121167 0.373771 0.001585 O\n0.126944 0.379045 0.507647 O\n0.122922 0.875803 0.000785 O\n0.126370 0.878289 0.506164 O\n0.623813 0.376974 0.003241 O\n0.626704 0.378096 0.505863 O\n0.621627 0.874596 0.003517 O\n0.627021 0.878384 0.506565 O\n0.368874 0.120785 0.492836 O\n0.369832 0.123140 0.992770 O\n0.370211 0.621204 0.494295 O\n0.371888 0.623084 0.993832 O\n0.869968 0.121753 0.493411 O\n0.869622 0.124274 0.992729 O\n0.870316 0.622326 0.495224 O\n0.867209 0.619731 0.991847 O\n0.375653 0.375660 0.002881 O\n0.377867 0.378588 0.509442 O\n0.374973 0.875859 0.002121 O\n0.376617 0.877145 0.506745 O\n0.871751 0.375842 0.000654 O\n0.877581 0.378608 0.507271 O\n0.871616 0.875958 0.000982 O\n0.878760 0.879580 0.510362 O\n0.062346 0.080559 0.130746 O\n0.065718 0.084593 0.630018 O\n0.054851 0.568078 0.128368 O\n0.062632 0.580277 0.629432 O\n0.562100 0.081870 0.131428 O\n0.561091 0.081012 0.628440 O\n0.567911 0.576582 0.130397 O\n0.564878 0.581205 0.628885 O\n0.428824 0.413621 0.371142 O\n0.431284 0.418938 0.868428 O\n0.433800 0.917945 0.373273 O\n0.432549 0.923630 0.870022 O\n0.933285 0.423821 0.372067 O\n0.932458 0.421329 0.868573 O\n0.929512 0.914136 0.371872 O\n0.930300 0.922562 0.869214 O\n0.312790 0.305593 0.129995 O\n0.310305 0.294035 0.630012 O\n0.316411 0.808727 0.130138 O\n0.310686 0.799433 0.629105 O\n0.813106 0.311104 0.128707 O\n0.811868 0.299196 0.628475 O\n0.809667 0.796492 0.130015 O\n0.808239 0.796509 0.629188 O\n0.184430 0.207783 0.372793 O\n0.182016 0.200554 0.867995 O\n0.182075 0.698664 0.372411 O\n0.183123 0.697283 0.869675 O\n0.688736 0.207229 0.370583 O\n0.677941 0.198628 0.868891 O\n0.690962 0.702967 0.371492 O\n0.679812 0.697919 0.868888 O\n0.499798 0.007215 0.258538 O\n0.471024 0.020625 0.747543 O\n0.490684 0.510587 0.257876 O\n0.472840 0.516808 0.747197 O\n0.997779 0.003003 0.257132 O\n0.972745 0.016281 0.747187 O\n0.974715 0.524856 0.253335 O\n0.972531 0.519003 0.748415 O\n0.232715 0.490381 0.252564 O\n0.223002 0.479229 0.748571 O\n0.249193 0.005316 0.257897 O\n0.222257 0.980349 0.749109 O\n0.723968 0.472775 0.251226 O\n0.722788 0.479598 0.748307 O\n0.741865 0.992936 0.251864 O\n0.722114 0.980643 0.748633 O\n",
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"elements": [
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],
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"density": 4.774139524695182,
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"formula_full": "Ba4 Sr28 Ti32 O80",
"formula_reduced": "BaSr7Ti8O20",
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"updated_at": "2021-11-28T01:36:33.671000Z",
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},
{
"id": "mp-1076761",
"created_at": "2022-09-04T14:44:17.406942Z",
"structure_string": "Sr24 Ca8 Fe32 O80\n1.0\n0.004408 -0.013246 11.159865\n11.535419 0.005659 0.004527\n-5.762169 15.514097 -5.600948\nSr Ca Fe O\n24 8 32 80\ndirect\n0.306109 0.063654 0.608525 Sr\n0.305996 0.563914 0.608956 Sr\n0.806313 0.064283 0.609252 Sr\n0.806918 0.564104 0.610262 Sr\n0.196620 0.435439 0.390211 Sr\n0.196947 0.436655 0.892564 Sr\n0.196151 0.935394 0.389114 Sr\n0.696377 0.435649 0.389543 Sr\n0.698174 0.437203 0.892637 Sr\n0.696624 0.935372 0.390189 Sr\n0.697915 0.935955 0.892625 Sr\n0.056011 0.293506 0.109404 Sr\n0.056431 0.294793 0.609069 Sr\n0.056657 0.795900 0.610224 Sr\n0.555865 0.294844 0.608484 Sr\n0.555340 0.794342 0.109224 Sr\n0.556132 0.795148 0.608795 Sr\n0.445906 0.203520 0.388455 Sr\n0.447231 0.205623 0.892682 Sr\n0.445514 0.703694 0.388575 Sr\n0.446702 0.705993 0.892445 Sr\n0.945474 0.203652 0.388483 Sr\n0.947680 0.205593 0.892485 Sr\n0.946082 0.703654 0.388820 Sr\n0.303490 0.066354 0.104298 Ca\n0.303357 0.566895 0.105303 Ca\n0.803294 0.066582 0.105080 Ca\n0.803685 0.567198 0.105382 Ca\n0.199489 0.934241 0.896403 Ca\n0.054778 0.788127 0.104796 Ca\n0.554991 0.288393 0.105853 Ca\n0.950384 0.712321 0.896253 Ca\n0.007381 0.999774 0.002836 Fe\n0.004228 0.999687 0.499701 Fe\n0.006211 0.502834 0.002786 Fe\n0.003644 0.500234 0.499915 Fe\n0.506020 0.002163 0.003019 Fe\n0.503904 0.999976 0.499681 Fe\n0.507307 0.501289 0.004831 Fe\n0.504467 0.500137 0.499847 Fe\n0.257139 0.250843 0.002997 Fe\n0.253813 0.249531 0.499582 Fe\n0.254504 0.751678 0.002124 Fe\n0.253601 0.749878 0.499772 Fe\n0.755857 0.252062 0.003895 Fe\n0.754049 0.250177 0.499812 Fe\n0.758266 0.751492 0.002973 Fe\n0.754217 0.749497 0.499956 Fe\n0.103875 0.085552 0.245580 Fe\n0.108984 0.088982 0.752805 Fe\n0.104621 0.590740 0.246913 Fe\n0.106710 0.594639 0.752836 Fe\n0.604530 0.090630 0.247150 Fe\n0.607978 0.090168 0.750933 Fe\n0.603839 0.585671 0.245980 Fe\n0.609956 0.591181 0.751177 Fe\n0.356904 0.409227 0.246777 Fe\n0.357991 0.410645 0.751086 Fe\n0.352217 0.908254 0.245538 Fe\n0.356417 0.910212 0.752415 Fe\n0.852534 0.408359 0.245777 Fe\n0.859102 0.413663 0.752601 Fe\n0.857076 0.909360 0.246825 Fe\n0.860267 0.907859 0.751631 Fe\n0.123567 0.121768 0.490555 O\n0.127531 0.116765 0.988980 O\n0.123575 0.621744 0.490759 O\n0.121851 0.625106 0.990075 O\n0.623897 0.121916 0.490619 O\n0.625376 0.124283 0.993757 O\n0.623914 0.621723 0.490539 O\n0.627447 0.621578 0.992562 O\n0.138268 0.382625 0.013956 O\n0.132554 0.377840 0.508438 O\n0.135655 0.879065 0.012489 O\n0.132805 0.877933 0.508789 O\n0.636845 0.380455 0.015880 O\n0.633078 0.378165 0.508812 O\n0.638675 0.882526 0.013785 O\n0.632652 0.877764 0.508339 O\n0.373638 0.118797 0.490227 O\n0.373956 0.118085 0.991435 O\n0.373689 0.619150 0.490572 O\n0.373366 0.618085 0.992049 O\n0.874039 0.119106 0.490839 O\n0.874621 0.117485 0.992012 O\n0.874010 0.619090 0.490615 O\n0.878146 0.622430 0.991232 O\n0.388072 0.383200 0.016301 O\n0.382623 0.380353 0.508146 O\n0.381669 0.886589 0.012252 O\n0.382837 0.880441 0.508344 O\n0.883594 0.386880 0.013912 O\n0.882912 0.380656 0.508429 O\n0.889041 0.881111 0.014069 O\n0.882855 0.880396 0.508359 O\n0.088578 0.098373 0.138770 O\n0.083333 0.094410 0.641505 O\n0.087097 0.605095 0.139586 O\n0.079825 0.596244 0.640767 O\n0.586354 0.104827 0.139905 O\n0.581724 0.096146 0.640105 O\n0.588021 0.599732 0.139485 O\n0.581906 0.596417 0.639970 O\n0.441678 0.405408 0.358516 O\n0.442574 0.403150 0.861448 O\n0.439058 0.905709 0.357671 O\n0.445272 0.903409 0.862069 O\n0.939093 0.405765 0.357773 O\n0.942645 0.401365 0.861441 O\n0.941728 0.905469 0.358665 O\n0.945584 0.895114 0.860668 O\n0.334940 0.282991 0.140396 O\n0.331468 0.294002 0.640241 O\n0.332535 0.782596 0.139714 O\n0.330002 0.794709 0.640987 O\n0.833975 0.282305 0.140363 O\n0.833804 0.296964 0.641383 O\n0.836319 0.783535 0.140700 O\n0.831980 0.793358 0.639840 O\n0.188955 0.201794 0.357507 O\n0.193195 0.210060 0.861479 O\n0.188376 0.705120 0.358927 O\n0.193894 0.716076 0.861219 O\n0.688584 0.205254 0.359092 O\n0.692310 0.207572 0.861526 O\n0.689120 0.701837 0.357616 O\n0.697528 0.707451 0.861484 O\n0.427620 0.056549 0.240350 O\n0.435749 0.058660 0.750885 O\n0.427441 0.558611 0.240870 O\n0.437810 0.560015 0.751367 O\n0.927558 0.058763 0.240869 O\n0.936267 0.058689 0.751475 O\n0.927797 0.556697 0.240499 O\n0.936637 0.568788 0.758791 O\n0.185540 0.442268 0.248609 O\n0.186277 0.444568 0.751593 O\n0.176413 0.931449 0.241784 O\n0.186047 0.939728 0.758531 O\n0.676580 0.431525 0.241892 O\n0.685836 0.440309 0.750438 O\n0.685645 0.942210 0.248642 O\n0.688329 0.941413 0.751319 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O-Sr",
"density": 4.566136215310208,
"density_atomic": 0.07211916307653368,
"volume": 1996.6953838217112,
"volume_molar": 8.35026434459484,
"formula_full": "Sr24 Ca8 Fe32 O80",
"formula_reduced": "Sr3Ca(Fe2O5)2",
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"energy_uncorrected": -938.80375431,
"band_gap": 0.7409999999999997,
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"total_magnetization": 159.7345242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.419000Z",
"spacegroup": 1
},
{
"id": "mp-1100047",
"created_at": "2022-09-04T14:42:09.697298Z",
"structure_string": "La20 Sm12 Cr28 Fe4 O80\n1.0\n-0.081857 -0.019558 11.076929\n11.499393 -0.008576 -0.082779\n-5.720785 15.806482 -5.525222\nLa Sm Cr Fe O\n20 12 28 4 80\ndirect\n0.307499 0.062624 0.613089 La\n0.310912 0.561992 0.611653 La\n0.810244 0.062954 0.618517 La\n0.807976 0.565555 0.619915 La\n0.189625 0.433964 0.381382 La\n0.185271 0.437933 0.883049 La\n0.190626 0.934788 0.381317 La\n0.690080 0.436962 0.380136 La\n0.687761 0.934986 0.379027 La\n0.057850 0.307124 0.121179 La\n0.056350 0.297638 0.614896 La\n0.054497 0.808095 0.616887 La\n0.562405 0.300559 0.617222 La\n0.437363 0.193518 0.379029 La\n0.447733 0.198982 0.886551 La\n0.437597 0.691265 0.378251 La\n0.452093 0.700711 0.890058 La\n0.942408 0.199766 0.381705 La\n0.938635 0.191997 0.880061 La\n0.944672 0.693699 0.381483 La\n0.305224 0.062989 0.115868 Sm\n0.306401 0.563347 0.115707 Sm\n0.795789 0.062340 0.114140 Sm\n0.797749 0.559356 0.114903 Sm\n0.187359 0.940268 0.887305 Sm\n0.697537 0.435646 0.887356 Sm\n0.691626 0.935458 0.883767 Sm\n0.057375 0.800821 0.113473 Sm\n0.552684 0.302836 0.117294 Sm\n0.545883 0.802143 0.116377 Sm\n0.560365 0.800470 0.614009 Sm\n0.935213 0.697269 0.883517 Sm\n0.005472 0.000219 0.001654 Cr\n0.001654 0.998291 0.496526 Cr\n0.005841 0.502050 0.001214 Cr\n0.004645 0.503876 0.504253 Cr\n0.504400 0.999505 0.998050 Cr\n0.506294 0.997115 0.499823 Cr\n0.505554 0.499177 0.999136 Cr\n0.506335 0.499919 0.500499 Cr\n0.254076 0.250506 0.000286 Cr\n0.256117 0.250814 0.501348 Cr\n0.251827 0.750933 0.997381 Cr\n0.258814 0.750676 0.503176 Cr\n0.757139 0.247793 0.001246 Cr\n0.752432 0.250922 0.498757 Cr\n0.760293 0.749425 0.004000 Cr\n0.752967 0.750088 0.499623 Cr\n0.115514 0.117893 0.246373 Cr\n0.128538 0.122571 0.753851 Cr\n0.119527 0.625032 0.248208 Cr\n0.620759 0.122321 0.248678 Cr\n0.619492 0.117867 0.751026 Cr\n0.621662 0.624192 0.248849 Cr\n0.618465 0.621316 0.752392 Cr\n0.370913 0.377358 0.248393 Cr\n0.363540 0.876697 0.247802 Cr\n0.867134 0.380005 0.248425 Cr\n0.867955 0.378992 0.751530 Cr\n0.867967 0.873796 0.751966 Cr\n0.117634 0.611765 0.752766 Fe\n0.367530 0.397250 0.751380 Fe\n0.370170 0.893457 0.751144 Fe\n0.862707 0.887987 0.243181 Fe\n0.116294 0.116883 0.478055 O\n0.114395 0.112682 0.973719 O\n0.121698 0.619449 0.485643 O\n0.108753 0.618967 0.971372 O\n0.614747 0.114907 0.475296 O\n0.620903 0.109402 0.973055 O\n0.615086 0.616628 0.477329 O\n0.624621 0.609442 0.974832 O\n0.141408 0.389691 0.025915 O\n0.135152 0.389863 0.523481 O\n0.138751 0.885950 0.025265 O\n0.142488 0.877778 0.521838 O\n0.640718 0.372458 0.025655 O\n0.639894 0.387417 0.524224 O\n0.641071 0.871854 0.026937 O\n0.640538 0.881509 0.525563 O\n0.370802 0.104478 0.481439 O\n0.357510 0.111668 0.971599 O\n0.369395 0.610855 0.481801 O\n0.362292 0.617041 0.976238 O\n0.863026 0.118296 0.476002 O\n0.864139 0.103032 0.973249 O\n0.867246 0.616868 0.480628 O\n0.869132 0.610034 0.974951 O\n0.390127 0.391373 0.027239 O\n0.392611 0.390293 0.524601 O\n0.385223 0.891565 0.023065 O\n0.395768 0.884739 0.525769 O\n0.886592 0.397892 0.027107 O\n0.888718 0.390900 0.525019 O\n0.892611 0.894254 0.030882 O\n0.886502 0.887049 0.521175 O\n0.089965 0.105854 0.123691 O\n0.080101 0.102243 0.629708 O\n0.091738 0.608900 0.123801 O\n0.075778 0.609402 0.633894 O\n0.587632 0.109275 0.125248 O\n0.579289 0.100854 0.625535 O\n0.589793 0.611474 0.125868 O\n0.577038 0.606315 0.626170 O\n0.450533 0.397649 0.375707 O\n0.459920 0.394068 0.865903 O\n0.451521 0.894064 0.373921 O\n0.463886 0.890736 0.865641 O\n0.949790 0.404175 0.376838 O\n0.949123 0.395449 0.876701 O\n0.949682 0.888029 0.360231 O\n0.958148 0.892126 0.876514 O\n0.336817 0.264495 0.124096 O\n0.333120 0.279728 0.635757 O\n0.332082 0.767171 0.122482 O\n0.340923 0.779603 0.632711 O\n0.833962 0.263786 0.124645 O\n0.823190 0.273438 0.625507 O\n0.844667 0.765184 0.129533 O\n0.822261 0.773720 0.625663 O\n0.199213 0.224923 0.372048 O\n0.198056 0.234756 0.877097 O\n0.199176 0.724962 0.377266 O\n0.200271 0.732156 0.869725 O\n0.697114 0.230564 0.374837 O\n0.701771 0.231365 0.876405 O\n0.697176 0.728202 0.375629 O\n0.711660 0.733776 0.878472 O\n0.415940 0.062763 0.244799 O\n0.416810 0.068656 0.749762 O\n0.419514 0.565732 0.244141 O\n0.409308 0.577249 0.751213 O\n0.909030 0.064633 0.244571 O\n0.927252 0.058424 0.749823 O\n0.916444 0.571896 0.244895 O\n0.933318 0.570597 0.756166 O\n0.175291 0.439029 0.251654 O\n0.180772 0.441089 0.749953 O\n0.156186 0.926647 0.245027 O\n0.183569 0.921195 0.755793 O\n0.668182 0.431808 0.245417 O\n0.664563 0.430339 0.755185 O\n0.675887 0.926369 0.243414 O\n0.658156 0.922053 0.749941 O\n",
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"elements": [
"La",
"Sm",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-La-O-Sm",
"density": 6.225833272541902,
"density_atomic": 0.0715886842846366,
"volume": 2011.4910818510925,
"volume_molar": 8.412140578049973,
"formula_full": "La20 Sm12 Cr28 Fe4 O80",
"formula_reduced": "La5Sm3Cr7FeO20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1262.2675188100002,
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"updated_at": "2021-11-28T01:35:38.882000Z",
"spacegroup": 1
}
]
}