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{
"id": "mp-1199849",
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"structure_string": "Dy12 P36 O108\n1.0\n20.285748 0.000000 0.000000\n0.000000 10.209474 0.000000\n0.000000 1.527091 11.341772\nDy P O\n12 36 108\ndirect\n0.177190 0.527991 0.502658 Dy\n0.677190 0.972009 0.497342 Dy\n0.822810 0.472009 0.497342 Dy\n0.322810 0.027991 0.502658 Dy\n0.653718 0.981519 0.999876 Dy\n0.153718 0.518481 0.000124 Dy\n0.346282 0.018481 0.000124 Dy\n0.846282 0.481519 0.999876 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 Dy\n0.551278 0.967115 0.272184 P\n0.051278 0.532885 0.727816 P\n0.448722 0.032885 0.727816 P\n0.948722 0.467115 0.272184 P\n0.540735 0.817906 0.818722 P\n0.040735 0.682094 0.181278 P\n0.459265 0.182094 0.181278 P\n0.959265 0.317906 0.818722 P\n0.374732 0.323093 0.345982 P\n0.874732 0.176907 0.654018 P\n0.625268 0.676907 0.654018 P\n0.125268 0.823093 0.345982 P\n0.273281 0.509026 0.237815 P\n0.773281 0.990974 0.762185 P\n0.726719 0.490974 0.762185 P\n0.226719 0.009026 0.237815 P\n0.117300 0.191841 0.146303 P\n0.617300 0.308159 0.853697 P\n0.882700 0.808159 0.853697 P\n0.382700 0.691841 0.146303 P\n0.066172 0.308808 0.360324 P\n0.566172 0.191192 0.639676 P\n0.933828 0.691192 0.639676 P\n0.433828 0.808808 0.360324 P\n0.208081 0.198300 0.678086 P\n0.708081 0.301700 0.321914 P\n0.791919 0.801700 0.321914 P\n0.291919 0.698300 0.678086 P\n0.778018 0.175390 0.132655 P\n0.278018 0.324610 0.867345 P\n0.221982 0.824610 0.867345 P\n0.721982 0.675390 0.132655 P\n0.888416 0.022999 0.245705 P\n0.388416 0.477001 0.754295 P\n0.111584 0.977001 0.754295 P\n0.611584 0.522999 0.245705 P\n0.587107 0.945720 0.387432 O\n0.087107 0.554280 0.612568 O\n0.412893 0.054280 0.612568 O\n0.912893 0.445720 0.387432 O\n0.589817 0.962735 0.161069 O\n0.089817 0.537265 0.838931 O\n0.410183 0.037265 0.838931 O\n0.910183 0.462735 0.161069 O\n0.513120 0.690993 0.879311 O\n0.013120 0.809007 0.120689 O\n0.486880 0.309007 0.120689 O\n0.986880 0.190993 0.879311 O\n0.571110 0.912952 0.892204 O\n0.071110 0.587048 0.107796 O\n0.428890 0.087048 0.107796 O\n0.928890 0.412952 0.892204 O\n0.425408 0.418554 0.379030 O\n0.925408 0.081446 0.620970 O\n0.574592 0.581446 0.620970 O\n0.074592 0.918554 0.379030 O\n0.333750 0.247934 0.441403 O\n0.833750 0.252066 0.558597 O\n0.666250 0.752066 0.558597 O\n0.166250 0.747934 0.441403 O\n0.258467 0.537678 0.360805 O\n0.758467 0.962322 0.639195 O\n0.741533 0.462322 0.639195 O\n0.241533 0.037678 0.360805 O\n0.216312 0.476588 0.163905 O\n0.716312 0.023412 0.836095 O\n0.783688 0.523412 0.836095 O\n0.283688 0.976588 0.163905 O\n0.067609 0.088959 0.125209 O\n0.567609 0.411041 0.874791 O\n0.932391 0.911041 0.874791 O\n0.432391 0.588959 0.125209 O\n0.120554 0.311484 0.055369 O\n0.620554 0.188516 0.944631 O\n0.879446 0.688516 0.944631 O\n0.379446 0.811484 0.055369 O\n0.104901 0.423834 0.392596 O\n0.604901 0.076166 0.607404 O\n0.895099 0.576166 0.607404 O\n0.395099 0.923834 0.392596 O\n0.040851 0.207405 0.456994 O\n0.540851 0.292595 0.543006 O\n0.959149 0.792595 0.543006 O\n0.459149 0.707405 0.456994 O\n0.485563 0.892287 0.732987 O\n0.985563 0.607713 0.267013 O\n0.514437 0.107713 0.267013 O\n0.014437 0.392287 0.732987 O\n0.594070 0.789603 0.722030 O\n0.094070 0.710397 0.277970 O\n0.405930 0.210397 0.277970 O\n0.905930 0.289603 0.722030 O\n0.327441 0.393191 0.242364 O\n0.827441 0.106809 0.757636 O\n0.672559 0.606809 0.757636 O\n0.172559 0.893191 0.242364 O\n0.190127 0.130149 0.159189 O\n0.690127 0.369851 0.840811 O\n0.809873 0.869851 0.840811 O\n0.309873 0.630149 0.159189 O\n0.110226 0.231694 0.276122 O\n0.610226 0.268306 0.723878 O\n0.889774 0.768306 0.723878 O\n0.389774 0.731694 0.276122 O\n0.492860 0.860848 0.271133 O\n0.992860 0.639152 0.728867 O\n0.507140 0.139152 0.728867 O\n0.007140 0.360848 0.271133 O\n0.192319 0.323326 0.598939 O\n0.692319 0.176674 0.401061 O\n0.807681 0.676674 0.401061 O\n0.307681 0.823326 0.598939 O\n0.256824 0.103930 0.636880 O\n0.756824 0.396070 0.363120 O\n0.743176 0.896070 0.363120 O\n0.243176 0.603930 0.636880 O\n0.740718 0.062036 0.093706 O\n0.240718 0.437964 0.906294 O\n0.259282 0.937964 0.906294 O\n0.759282 0.562036 0.093706 O\n0.815112 0.267208 0.042396 O\n0.315112 0.232792 0.957604 O\n0.184888 0.732792 0.957604 O\n0.684888 0.767208 0.042396 O\n0.932574 0.053535 0.343477 O\n0.432574 0.446465 0.656523 O\n0.067426 0.946465 0.656523 O\n0.567426 0.553535 0.343477 O\n0.915527 0.028643 0.123201 O\n0.415527 0.471357 0.876799 O\n0.084473 0.971357 0.876799 O\n0.584473 0.528643 0.123201 O\n0.228313 0.233936 0.805390 O\n0.728313 0.266064 0.194610 O\n0.771687 0.766064 0.194610 O\n0.271687 0.733936 0.805390 O\n0.825853 0.121010 0.242055 O\n0.325853 0.378990 0.757945 O\n0.174147 0.878990 0.757945 O\n0.674147 0.621010 0.242055 O\n0.140557 0.122777 0.714106 O\n0.640557 0.377223 0.285894 O\n0.859443 0.877223 0.285894 O\n0.359443 0.622777 0.714106 O\n",
"nsites": 156,
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"elements": [
"Dy",
"P",
"O"
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"chemical_system": "Dy-O-P",
"density": 3.388288419358046,
"density_atomic": 0.06641241792038928,
"volume": 2348.958295525428,
"volume_molar": 9.067793266040901,
"formula_full": "Dy12 P36 O108",
"formula_reduced": "Dy(PO3)3",
"formula_anonymous": "AB3C9",
"energy": -1255.1838423499998,
"energy_per_atom": -8.046050271474359,
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"updated_at": "2021-11-28T01:35:05.682000Z",
"spacegroup": 14
},
{
"id": "mp-1247681",
"created_at": "2022-09-04T14:40:22.485024Z",
"structure_string": "Ca32 Ti8 Mn24 O92\n1.0\n10.916153 -0.003079 -0.032141\n-0.004136 15.410424 -0.008786\n-0.031504 -0.006269 10.764671\nCa Ti Mn O\n32 8 24 92\ndirect\n0.009329 0.119754 0.504941 Ca\n0.011940 0.117485 0.999129 Ca\n0.019827 0.625680 0.496267 Ca\n0.022061 0.625538 0.995560 Ca\n0.528927 0.132012 0.504660 Ca\n0.536976 0.122659 0.973208 Ca\n0.526581 0.624567 0.498261 Ca\n0.522203 0.624474 0.993308 Ca\n0.491619 0.384596 0.997136 Ca\n0.481463 0.385107 0.506701 Ca\n0.488016 0.866544 0.995913 Ca\n0.483853 0.863702 0.513676 Ca\n0.967821 0.387506 0.001041 Ca\n0.974848 0.382857 0.504286 Ca\n0.973312 0.868647 0.005387 Ca\n0.968729 0.868018 0.504923 Ca\n0.231099 0.391007 0.252554 Ca\n0.229789 0.384158 0.739668 Ca\n0.228536 0.870511 0.244974 Ca\n0.232882 0.864439 0.751060 Ca\n0.729394 0.384310 0.244650 Ca\n0.724282 0.380184 0.747019 Ca\n0.730455 0.865654 0.246598 Ca\n0.724759 0.870555 0.744897 Ca\n0.242115 0.120594 0.264614 Ca\n0.276229 0.119661 0.736803 Ca\n0.274592 0.626455 0.255158 Ca\n0.272922 0.624410 0.758374 Ca\n0.774435 0.118350 0.252699 Ca\n0.767336 0.124761 0.752738 Ca\n0.770526 0.624728 0.254620 Ca\n0.771555 0.625677 0.754571 Ca\n0.995877 0.992966 0.249531 Ti\n0.989242 0.996248 0.757178 Ti\n0.251560 0.996560 0.996394 Ti\n0.232012 0.990803 0.512065 Ti\n0.257351 0.243708 0.966611 Ti\n0.244996 0.254376 0.498289 Ti\n0.987859 0.251596 0.266748 Ti\n0.988734 0.252569 0.749703 Ti\n0.999963 0.502942 0.249894 Mn\n0.001431 0.501655 0.750246 Mn\n0.506698 0.987649 0.243956 Mn\n0.501917 0.999027 0.748455 Mn\n0.499497 0.503890 0.250969 Mn\n0.500295 0.501582 0.749995 Mn\n0.249887 0.502186 0.004433 Mn\n0.251257 0.504470 0.500475 Mn\n0.747114 0.997431 0.998978 Mn\n0.744412 -0.000062 0.500571 Mn\n0.748660 0.502950 0.000370 Mn\n0.751216 0.500787 0.500497 Mn\n0.250665 0.748108 0.004027 Mn\n0.251223 0.747593 0.499659 Mn\n0.749462 0.250799 0.000425 Mn\n0.747852 0.251608 0.501807 Mn\n0.749953 0.748630 0.000634 Mn\n0.750173 0.748300 0.500196 Mn\n0.000723 0.747270 0.250754 Mn\n0.001267 0.748557 0.751084 Mn\n0.516006 0.255931 0.259427 Mn\n0.504302 0.251533 0.744490 Mn\n0.499628 0.747471 0.251524 Mn\n0.500419 0.747227 0.751407 Mn\n0.103155 0.264327 0.591337 O\n0.106499 0.771851 0.105688 O\n0.107271 0.773003 0.604478 O\n0.590290 0.259986 0.099714 O\n0.599660 0.270303 0.595337 O\n0.607674 0.772078 0.108660 O\n0.608169 0.765479 0.607509 O\n0.396919 0.210955 0.365129 O\n0.405032 0.229036 0.896448 O\n0.396068 0.725365 0.397137 O\n0.396372 0.731566 0.897609 O\n0.900784 0.231409 0.404285 O\n0.902223 0.233109 0.900242 O\n0.897454 0.730931 0.396255 O\n0.897704 0.730157 0.896591 O\n0.152145 0.244021 0.333647 O\n0.151533 0.230483 0.839191 O\n0.147607 0.730253 0.352116 O\n0.148539 0.731651 0.852995 O\n0.656357 0.223957 0.351511 O\n0.651244 0.230906 0.850161 O\n0.646213 0.728659 0.354220 O\n0.645314 0.729678 0.855604 O\n0.354129 0.264179 0.638098 O\n0.357752 0.773252 0.145843 O\n0.356204 0.768979 0.644044 O\n0.862358 0.271901 0.143641 O\n0.851913 0.272022 0.649962 O\n0.857731 0.770247 0.145275 O\n0.857457 0.771667 0.645964 O\n0.357306 0.484629 0.147130 O\n0.356343 0.481204 0.643375 O\n0.353103 0.999831 0.163243 O\n0.355500 0.983846 0.640850 O\n0.855957 0.481424 0.145798 O\n0.857588 0.477643 0.645855 O\n0.851708 0.980658 0.145844 O\n0.852913 0.979384 0.645831 O\n0.142910 0.009980 0.357755 O\n0.145805 0.025530 0.860604 O\n0.148150 0.520798 0.352117 O\n0.148933 0.515253 0.852838 O\n0.627492 0.029521 0.356632 O\n0.648370 0.019432 0.848730 O\n0.646590 0.519208 0.354028 O\n0.645377 0.520177 0.854428 O\n0.393993 0.022899 0.896086 O\n0.395611 0.523356 0.397464 O\n0.395740 0.513154 0.897307 O\n0.888807 0.019391 0.393585 O\n0.894349 0.015858 0.897567 O\n0.898921 0.518342 0.396881 O\n0.898023 0.518311 0.896683 O\n0.102613 0.483152 0.105156 O\n0.107800 0.478602 0.604716 O\n0.104833 0.984192 0.106111 O\n0.100227 0.977151 0.607144 O\n0.607182 0.481251 0.107625 O\n0.607622 0.481784 0.605633 O\n0.601698 0.985461 0.094205 O\n0.598324 0.980370 0.598673 O\n0.012497 0.377156 0.278418 O\n0.014454 0.375278 0.785185 O\n0.006501 0.872556 0.285497 O\n0.012405 0.874410 0.789767 O\n0.496885 0.377278 0.284671 O\n0.505638 0.375195 0.782464 O\n0.505862 0.872721 0.298571 O\n0.506136 0.874162 0.782716 O\n0.494095 0.125660 0.715550 O\n0.491792 0.626803 0.208710 O\n0.488871 0.623978 0.714658 O\n0.998490 0.129110 0.217288 O\n0.988550 0.124254 0.715734 O\n0.987934 0.625786 0.209927 O\n0.989741 0.624930 0.710780 O\n0.226729 0.148509 0.061650 O\n0.244653 0.119561 0.515158 O\n0.240743 0.628989 0.037813 O\n0.234936 0.625674 0.542990 O\n0.745784 0.124179 0.036950 O\n0.744081 0.126239 0.540498 O\n0.740567 0.626005 0.038055 O\n0.745410 0.623875 0.537729 O\n0.264600 0.375136 0.464164 O\n0.252685 0.356639 0.014811 O\n0.269096 0.876394 0.458490 O\n0.263703 0.880211 0.969888 O\n0.759105 0.374854 0.459249 O\n0.751623 0.375996 0.965992 O\n0.753789 0.875044 0.461797 O\n0.756244 0.874095 0.961942 O\n",
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"elements": [
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"chemical_system": "Ca-Mn-O-Ti",
"density": 4.086038962780285,
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"volume": 1810.8440202373704,
"volume_molar": 6.9904856309447005,
"formula_full": "Ca32 Ti8 Mn24 O92",
"formula_reduced": "Ca8Ti2Mn6O23",
"formula_anonymous": "A2B6C8D23",
"energy": -1234.9712329600002,
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"total_magnetization": 80.0000019,
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"updated_at": "2021-11-28T01:34:52.310000Z",
"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:43:52.550706Z",
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"elements": [
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"updated_at": "2021-11-28T01:36:19.712000Z",
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},
{
"id": "mp-1247610",
"created_at": "2022-09-04T14:43:53.187992Z",
"structure_string": "Sr4 Ca28 Ti4 Mn28 O92\n1.0\n10.897786 -0.007180 -0.027969\n-0.009858 15.404631 -0.010354\n-0.027483 -0.007361 10.797732\nSr Ca Ti Mn O\n4 28 4 28 92\ndirect\n0.013298 0.119373 0.505692 Sr\n0.496531 0.381895 0.996524 Sr\n0.239684 0.385113 0.253122 Sr\n0.247486 0.118061 0.264612 Sr\n0.010923 0.117758 0.992042 Ca\n0.020350 0.625626 0.497065 Ca\n0.020619 0.626185 0.994621 Ca\n0.526534 0.129242 0.506388 Ca\n0.536337 0.121577 0.972376 Ca\n0.524680 0.625106 0.497818 Ca\n0.521605 0.625129 0.994726 Ca\n0.479231 0.384521 0.511051 Ca\n0.486481 0.867679 0.996058 Ca\n0.481519 0.864794 0.515486 Ca\n0.967875 0.386064 0.998968 Ca\n0.975637 0.381049 0.506883 Ca\n0.974050 0.870981 0.003589 Ca\n0.973039 0.871880 0.507194 Ca\n0.223788 0.380820 0.727440 Ca\n0.227600 0.868691 0.246661 Ca\n0.226714 0.869589 0.743825 Ca\n0.735973 0.387345 0.246975 Ca\n0.728684 0.380453 0.747553 Ca\n0.734345 0.865652 0.247243 Ca\n0.728595 0.871848 0.745452 Ca\n0.273209 0.115556 0.733921 Ca\n0.273749 0.626726 0.255957 Ca\n0.272116 0.625019 0.754888 Ca\n0.771549 0.116944 0.249695 Ca\n0.774156 0.123446 0.756815 Ca\n0.770949 0.625046 0.254576 Ca\n0.770742 0.625845 0.754237 Ca\n0.995933 0.991711 0.249885 Ti\n0.250888 0.993115 0.993500 Ti\n0.256302 0.245603 0.959340 Ti\n0.984014 0.251743 0.268215 Ti\n0.995295 0.996005 0.752921 Mn\n0.000765 0.503337 0.249002 Mn\n0.000200 0.501708 0.749834 Mn\n0.509187 0.984167 0.240525 Mn\n0.502275 0.997970 0.747944 Mn\n0.501435 0.506165 0.251340 Mn\n0.499926 0.502966 0.748714 Mn\n0.242382 0.991629 0.507427 Mn\n0.249345 0.503999 0.001503 Mn\n0.250221 0.504245 0.501275 Mn\n0.750475 0.997195 0.995640 Mn\n0.744785 0.999512 0.501350 Mn\n0.750168 0.504524 0.000744 Mn\n0.750632 0.501454 0.500893 Mn\n0.251731 0.250944 0.498895 Mn\n0.250020 0.747991 0.001560 Mn\n0.250498 0.748939 0.500187 Mn\n0.752253 0.249622 0.998966 Mn\n0.747633 0.250585 0.506636 Mn\n0.749825 0.749306 0.000050 Mn\n0.750410 0.748830 0.500246 Mn\n0.994657 0.251948 0.745584 Mn\n0.000380 0.746952 0.250032 Mn\n0.000207 0.749191 0.750346 Mn\n0.522138 0.258283 0.265639 Mn\n0.505080 0.250079 0.742876 Mn\n0.499821 0.748451 0.252081 Mn\n0.500396 0.748014 0.751400 Mn\n0.098716 0.268555 0.602055 O\n0.105750 0.771933 0.104570 O\n0.105845 0.772139 0.603163 O\n0.592592 0.251753 0.107113 O\n0.598013 0.267953 0.594216 O\n0.607280 0.772966 0.108704 O\n0.607994 0.766582 0.606863 O\n0.399548 0.221275 0.371886 O\n0.406269 0.231428 0.890361 O\n0.396037 0.726404 0.397222 O\n0.396769 0.730409 0.897946 O\n0.889779 0.234102 0.400992 O\n0.900143 0.234947 0.903119 O\n0.896700 0.729787 0.395574 O\n0.895674 0.730105 0.896013 O\n0.143347 0.242788 0.349346 O\n0.144574 0.230261 0.840286 O\n0.146887 0.730673 0.351371 O\n0.147202 0.730435 0.852882 O\n0.654258 0.219505 0.357184 O\n0.649151 0.229593 0.851413 O\n0.646890 0.728534 0.354013 O\n0.644702 0.728956 0.856089 O\n0.351576 0.264255 0.646136 O\n0.357478 0.772993 0.145578 O\n0.355314 0.769436 0.646086 O\n0.860127 0.271896 0.142343 O\n0.849526 0.273613 0.649621 O\n0.856991 0.769576 0.144308 O\n0.856514 0.771257 0.644897 O\n0.361583 0.490311 0.141981 O\n0.355318 0.484427 0.644984 O\n0.357296 0.991311 0.157853 O\n0.355160 0.978734 0.645749 O\n0.857525 0.482488 0.143687 O\n0.855912 0.479241 0.645106 O\n0.853479 0.980283 0.142668 O\n0.852523 0.977700 0.646485 O\n0.136433 0.005718 0.363421 O\n0.145489 0.022578 0.861509 O\n0.145892 0.521545 0.353153 O\n0.147548 0.516152 0.852357 O\n0.621820 0.030313 0.355203 O\n0.648557 0.019812 0.849156 O\n0.646735 0.520604 0.355302 O\n0.643876 0.520261 0.856551 O\n0.394749 0.020994 0.896121 O\n0.394911 0.521910 0.395797 O\n0.393983 0.517750 0.893763 O\n0.880837 0.016615 0.387052 O\n0.895304 0.014645 0.898768 O\n0.897149 0.518477 0.395681 O\n0.895775 0.518655 0.896535 O\n0.102106 0.483997 0.103462 O\n0.104810 0.481422 0.603969 O\n0.109118 0.984758 0.109275 O\n0.098971 0.978337 0.615734 O\n0.613344 0.486442 0.112995 O\n0.607360 0.483500 0.604153 O\n0.603817 0.985995 0.093499 O\n0.597880 0.980733 0.598295 O\n0.006673 0.376847 0.276592 O\n0.011262 0.375973 0.787668 O\n0.003925 0.871327 0.283738 O\n0.011141 0.873319 0.792481 O\n0.500363 0.379679 0.280750 O\n0.509322 0.375562 0.771808 O\n0.509157 0.871211 0.301113 O\n0.510651 0.874147 0.784977 O\n0.492573 0.123578 0.715565 O\n0.491663 0.628859 0.209948 O\n0.490377 0.625780 0.712646 O\n0.998554 0.130606 0.216528 O\n0.986021 0.125113 0.725138 O\n0.987828 0.625716 0.209155 O\n0.989259 0.625286 0.712124 O\n0.232202 0.150139 0.053310 O\n0.256885 0.117901 0.517384 O\n0.237378 0.629220 0.039554 O\n0.237225 0.626981 0.540043 O\n0.747645 0.123633 0.035144 O\n0.744642 0.125422 0.543239 O\n0.741004 0.627135 0.038575 O\n0.743830 0.624923 0.538865 O\n0.264373 0.377404 0.476073 O\n0.250624 0.358294 0.009129 O\n0.269352 0.873849 0.458745 O\n0.261997 0.877265 0.965270 O\n0.756216 0.374979 0.461285 O\n0.747711 0.375491 0.967200 O\n0.755090 0.874252 0.461337 O\n0.756048 0.873937 0.960886 O\n",
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"formula_full": "Sr4 Ca28 Ti4 Mn28 O92",
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"updated_at": "2021-11-28T01:36:30.652000Z",
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},
{
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},
{
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{
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{
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"elements": [
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"updated_at": "2021-11-28T01:37:39.836000Z",
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},
{
"id": "mp-1247632",
"created_at": "2022-09-04T14:45:29.305909Z",
"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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}
]
}