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{
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"results": [
{
"id": "mp-1073562",
"created_at": "2022-09-04T14:43:45.742774Z",
"structure_string": "Mg4 Si8\n1.0\n5.164897 0.000000 0.000000\n2.410168 5.127053 0.000000\n0.622466 0.574787 7.641980\nMg Si\n4 8\ndirect\n0.363915 0.921165 0.754295 Mg\n0.195446 0.020915 0.120088 Mg\n0.538651 0.713801 0.408740 Mg\n0.292486 0.459563 0.903506 Mg\n0.614732 0.204968 0.200986 Si\n0.837635 0.396892 0.752875 Si\n0.026490 0.181764 0.464394 Si\n0.523207 0.228752 0.519699 Si\n0.735319 0.581240 0.062306 Si\n0.805798 0.977421 0.905125 Si\n0.109951 0.546935 0.302534 Si\n0.956443 0.766353 0.605670 Si\n",
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{
"id": "mp-772589",
"created_at": "2022-09-04T14:40:39.229661Z",
"structure_string": "Li4 Fe2 Si8 O20\n1.0\n6.930816 0.078449 0.035061\n3.472655 6.948351 0.246849\n1.686857 -3.154403 8.884761\nLi Fe Si O\n4 2 8 20\ndirect\n0.295891 0.304939 0.408216 Li\n0.400914 0.808023 0.046724 Li\n0.599086 0.191977 0.953276 Li\n0.704109 0.695061 0.591784 Li\n0.230668 0.698990 0.574069 Fe\n0.769332 0.301010 0.425931 Fe\n0.121296 0.266054 0.144330 Si\n0.230865 0.066111 0.815778 Si\n0.217840 0.593549 0.224697 Si\n0.368432 0.375935 0.747897 Si\n0.631568 0.624065 0.252103 Si\n0.782160 0.406451 0.775303 Si\n0.769135 0.933889 0.184222 Si\n0.878704 0.733946 0.855670 Si\n0.113833 0.202288 0.292927 O\n0.969880 0.222269 0.821760 O\n0.289926 0.365413 0.114385 O\n0.230342 0.066136 0.992088 O\n0.149738 0.599490 0.394254 O\n0.124637 0.563031 0.861888 O\n0.390145 0.161301 0.763329 O\n0.411359 0.390059 0.581406 O\n0.441875 0.616948 0.170746 O\n0.663285 0.160724 0.287180 O\n0.336715 0.839276 0.712820 O\n0.558125 0.383052 0.829254 O\n0.588641 0.609941 0.418594 O\n0.609855 0.838699 0.236671 O\n0.875363 0.436969 0.138113 O\n0.850262 0.400510 0.605746 O\n0.769658 0.933864 0.007912 O\n0.710074 0.634587 0.885615 O\n0.030120 0.777731 0.178240 O\n0.886167 0.797712 0.707073 O\n",
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"elements": [
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],
"chemical_system": "Fe-Li-O-Si",
"density": 2.641386201384235,
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"volume": 430.0840024383615,
"volume_molar": 7.6177247097294005,
"formula_full": "Li4 Fe2 Si8 O20",
"formula_reduced": "Li2Fe(Si2O5)2",
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"energy": -265.0575445,
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"spacegroup": 2
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{
"id": "mp-1176379",
"created_at": "2022-09-04T14:47:40.074960Z",
"structure_string": "Na6 Mn4 P4 C4 O28\n1.0\n6.579794 0.000000 0.000000\n0.000000 10.256055 0.000000\n0.000000 5.017497 9.107475\nNa Mn P C O\n6 4 4 4 28\ndirect\n0.222093 0.756501 0.245013 Na\n0.777907 0.756501 0.745013 Na\n0.740174 0.239305 0.257292 Na\n0.259153 0.238573 0.259634 Na\n0.740847 0.238573 0.759634 Na\n0.259826 0.239305 0.757292 Na\n0.502400 0.655237 0.066640 Mn\n0.497600 0.655237 0.566640 Mn\n0.998422 0.351667 0.432710 Mn\n0.001578 0.351667 0.932710 Mn\n0.999949 0.575742 0.068267 P\n0.000051 0.575742 0.568267 P\n0.497933 0.427584 0.429046 P\n0.502067 0.427584 0.929046 P\n0.498360 0.923596 0.903021 C\n0.501640 0.923596 0.403021 C\n0.000182 0.078585 0.595339 C\n0.999818 0.078585 0.095339 C\n0.000288 0.942559 0.673478 O\n0.999712 0.942559 0.173478 O\n0.487663 0.859229 0.046874 O\n0.512337 0.859229 0.546874 O\n0.508729 0.825171 0.856700 O\n0.491271 0.825171 0.356700 O\n0.187624 0.668405 0.062308 O\n0.811877 0.672048 0.051373 O\n0.188123 0.672048 0.551373 O\n0.812376 0.668405 0.562308 O\n0.000401 0.536796 0.439630 O\n0.490606 0.575798 0.283845 O\n0.999599 0.536796 0.939630 O\n0.509394 0.575798 0.783845 O\n0.997046 0.424130 0.214103 O\n0.501377 0.460962 0.062070 O\n0.002954 0.424130 0.714103 O\n0.498623 0.460962 0.562070 O\n0.685929 0.331802 0.440156 O\n0.311890 0.328177 0.443920 O\n0.688110 0.328177 0.943920 O\n0.314071 0.331802 0.940156 O\n0.999555 0.176524 0.644623 O\n0.000445 0.176524 0.144623 O\n0.999771 0.148926 0.449255 O\n0.000229 0.148926 0.949255 O\n0.499686 0.061826 0.820842 O\n0.500314 0.061826 0.320842 O\n",
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"elements": [
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"C",
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],
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"density": 2.641343756477165,
"density_atomic": 0.07484576053855464,
"volume": 614.5972686897131,
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"formula_full": "Na6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Mn2P2(CO7)2",
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"updated_at": "2021-11-28T01:38:15.615000Z",
"spacegroup": 7
},
{
"id": "mp-1210321",
"created_at": "2022-09-04T14:42:12.046071Z",
"structure_string": "Na12 Mn2 S8 O32\n1.0\n0.047049 0.000000 -8.421074\n0.000000 -9.400189 0.000000\n-9.189463 0.000000 3.972140\nNa Mn S O\n12 2 8 32\ndirect\n0.911110 0.848777 0.553018 Na\n0.088890 0.151223 0.446982 Na\n0.588890 0.348777 0.446982 Na\n0.411110 0.651223 0.553018 Na\n0.532236 0.984732 0.688582 Na\n0.467764 0.015268 0.311418 Na\n0.967764 0.484732 0.311418 Na\n0.032236 0.515268 0.688582 Na\n0.816507 0.362682 0.889298 Na\n0.183493 0.637318 0.110702 Na\n0.683493 0.862682 0.110702 Na\n0.316507 0.137318 0.889298 Na\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.775075 0.693680 0.859086 S\n0.224925 0.306320 0.140914 S\n0.724925 0.193680 0.140914 S\n0.275075 0.806320 0.859086 S\n0.655170 0.648353 0.339702 S\n0.344830 0.351647 0.660298 S\n0.844830 0.148353 0.660298 S\n0.155170 0.851647 0.339702 S\n0.841815 0.811885 0.969285 O\n0.158185 0.188115 0.030715 O\n0.658185 0.311885 0.030715 O\n0.341815 0.688115 0.969285 O\n0.923088 0.604038 0.863321 O\n0.076912 0.395962 0.136679 O\n0.576912 0.104038 0.136679 O\n0.423088 0.895962 0.863321 O\n0.001834 0.915209 0.354649 O\n0.998166 0.084791 0.645351 O\n0.498166 0.415209 0.645351 O\n0.501834 0.584791 0.354649 O\n0.679895 0.755214 0.711727 O\n0.320105 0.244786 0.288273 O\n0.820105 0.255214 0.288273 O\n0.179895 0.744786 0.711727 O\n0.658941 0.604467 0.903657 O\n0.341058 0.395533 0.096343 O\n0.841059 0.104467 0.096343 O\n0.158942 0.895533 0.903657 O\n0.817992 0.604239 0.463959 O\n0.182008 0.395761 0.536041 O\n0.682008 0.104239 0.536041 O\n0.317992 0.895761 0.463959 O\n0.329150 0.403584 0.797117 O\n0.670850 0.596416 0.202883 O\n0.170850 0.903584 0.202883 O\n0.829150 0.096416 0.797117 O\n0.858742 0.306475 0.668272 O\n0.141258 0.693525 0.331728 O\n0.641258 0.806475 0.331728 O\n0.358742 0.193525 0.668272 O\n",
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],
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"volume": 725.6782601186345,
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"formula_full": "Na12 Mn2 S8 O32",
"formula_reduced": "Na6Mn(SO4)4",
"formula_anonymous": "AB4C6D16",
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{
"id": "mp-25891",
"created_at": "2022-09-04T14:43:22.021651Z",
"structure_string": "Li12 Ni4 P8 O32\n1.0\n10.390088 0.000000 0.000000\n0.000000 8.173350 0.000000\n0.000000 2.197826 7.979897\nLi Ni P O\n12 4 8 32\ndirect\n0.336402 0.609484 0.651305 Li\n0.847575 0.644623 0.581850 Li\n0.645820 0.162829 0.593311 Li\n0.145820 0.837171 0.406689 Li\n0.347575 0.355377 0.418150 Li\n0.836402 0.390516 0.348695 Li\n0.166566 0.605119 0.160755 Li\n0.658158 0.651910 0.088353 Li\n0.923105 0.454263 0.034389 Li\n0.423105 0.545737 0.965611 Li\n0.158158 0.348090 0.911647 Li\n0.666566 0.394881 0.839245 Li\n0.161179 0.096075 0.670816 Ni\n0.661179 0.903925 0.329184 Ni\n0.341002 0.092648 0.167881 Ni\n0.841002 0.907352 0.832119 Ni\n0.404448 0.231991 0.798373 P\n0.087630 0.720985 0.783876 P\n0.587630 0.279015 0.216124 P\n0.101473 0.233857 0.294679 P\n0.601473 0.766143 0.705321 P\n0.908960 0.291078 0.719377 P\n0.408960 0.708922 0.280623 P\n0.904448 0.768009 0.201627 P\n0.054730 0.237232 0.759450 O\n0.341053 0.388676 0.837240 O\n0.462677 0.725943 0.758113 O\n0.856833 0.349600 0.866662 O\n0.939068 0.758135 0.741317 O\n0.676086 0.618871 0.670821 O\n0.545015 0.254716 0.747624 O\n0.154461 0.685509 0.633270 O\n0.614540 0.926792 0.547306 O\n0.831163 0.131322 0.695830 O\n0.328579 0.188321 0.647630 O\n0.897399 0.425780 0.553223 O\n0.397399 0.574220 0.446777 O\n0.828579 0.811679 0.352370 O\n0.331163 0.868678 0.304170 O\n0.114540 0.073208 0.452694 O\n0.654461 0.314491 0.366730 O\n0.045015 0.745284 0.252376 O\n0.554730 0.762768 0.240550 O\n0.176086 0.381129 0.329179 O\n0.841053 0.611324 0.162760 O\n0.439068 0.241865 0.258683 O\n0.962677 0.274057 0.241887 O\n0.356833 0.650400 0.133338 O\n0.884324 0.923383 0.045109 O\n0.643341 0.116088 0.175436 O\n0.170061 0.177272 0.144890 O\n0.596185 0.429114 0.056937 O\n0.096185 0.570886 0.943063 O\n0.670061 0.822728 0.855110 O\n0.143341 0.883912 0.824564 O\n0.384324 0.076617 0.954891 O\n",
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"formula_full": "Li12 Ni4 P8 O32",
"formula_reduced": "Li3Ni(PO4)2",
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{
"id": "mp-758361",
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"structure_string": "Li4 V2 P6 O20\n1.0\n3.589948 7.169419 0.000000\n-3.589948 7.169419 0.000000\n0.000000 5.842116 7.762187\nLi V P O\n4 2 6 20\ndirect\n0.715477 0.744219 0.962676 Li\n0.744219 0.715477 0.462676 Li\n0.255781 0.284523 0.537324 Li\n0.284523 0.255781 0.037324 Li\n0.334124 0.665876 0.750000 V\n0.665876 0.334124 0.250000 V\n0.802678 0.440505 0.814031 P\n0.440505 0.802678 0.314031 P\n0.950863 0.049137 0.750000 P\n0.049137 0.950863 0.250000 P\n0.559495 0.197322 0.685969 P\n0.197322 0.559495 0.185969 P\n0.973223 0.814678 0.846675 O\n0.814678 0.973223 0.346675 O\n0.552098 0.983492 0.810970 O\n0.723022 0.469891 0.984784 O\n0.625068 0.605859 0.720900 O\n0.983492 0.552098 0.310970 O\n0.821343 0.191945 0.873644 O\n0.469891 0.723022 0.484784 O\n0.605859 0.625068 0.220900 O\n0.808055 0.178657 0.626356 O\n0.191945 0.821343 0.373644 O\n0.394141 0.374932 0.779100 O\n0.530109 0.276978 0.515216 O\n0.178657 0.808055 0.126356 O\n0.016508 0.447902 0.689030 O\n0.374932 0.394141 0.279100 O\n0.276978 0.530109 0.015216 O\n0.447902 0.016508 0.189030 O\n0.185322 0.026777 0.653325 O\n0.026777 0.185322 0.153325 O\n",
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{
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"structure_string": "V4 Cu2 P4 O28\n1.0\n8.931122 0.000000 0.000000\n0.000000 7.202461 0.000000\n0.000000 0.807057 8.823951\nV Cu P O\n4 2 4 28\ndirect\n0.250000 0.917983 0.505937 V\n0.750000 0.082017 0.494063 V\n0.750000 0.913461 0.007514 V\n0.250000 0.086539 0.992486 V\n0.750000 0.516914 0.831626 Cu\n0.250000 0.483086 0.168374 Cu\n0.498229 0.006738 0.749853 P\n0.998229 0.993262 0.250147 P\n0.501771 0.993262 0.250147 P\n0.001771 0.006738 0.749853 P\n0.596701 0.876872 0.856855 O\n0.096701 0.123128 0.143145 O\n0.403299 0.123128 0.143145 O\n0.903299 0.876872 0.856855 O\n0.399598 0.877522 0.660588 O\n0.899598 0.122478 0.339412 O\n0.600402 0.122478 0.339412 O\n0.100402 0.877522 0.660588 O\n0.399730 0.136024 0.838600 O\n0.899730 0.863976 0.161400 O\n0.600270 0.863976 0.161400 O\n0.100270 0.136024 0.838600 O\n0.596687 0.135446 0.640094 O\n0.096687 0.864554 0.359906 O\n0.403313 0.864554 0.359906 O\n0.903313 0.135446 0.640094 O\n0.250000 0.140988 0.476504 O\n0.750000 0.859012 0.523496 O\n0.750000 0.138528 0.989148 O\n0.250000 0.861472 0.010852 O\n0.250000 0.596182 0.504739 O\n0.750000 0.403818 0.495261 O\n0.750000 0.601069 0.006644 O\n0.250000 0.398931 0.993356 O\n0.907344 0.485008 0.729493 O\n0.407344 0.514992 0.270507 O\n0.092656 0.514992 0.270507 O\n0.592656 0.485008 0.729493 O\n",
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"formula_full": "V4 Cu2 P4 O28",
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{
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"structure_string": "H96 C32 Se24 Br48 N8\n1.0\n12.987298 0.000000 -2.669208\n0.000000 17.446331 0.000000\n0.003467 0.000000 17.547837\nH C Se Br N\n96 32 24 48 8\ndirect\n0.417865 0.206230 0.551418 H\n0.582135 0.706230 0.948582 H\n0.582135 0.793770 0.448582 H\n0.417865 0.293770 0.051418 H\n0.524617 0.168624 0.514104 H\n0.475383 0.668624 0.985896 H\n0.475383 0.831376 0.485896 H\n0.524617 0.331376 0.014104 H\n0.493261 0.128864 0.600806 H\n0.506739 0.628864 0.899194 H\n0.506739 0.871136 0.399194 H\n0.493261 0.371136 0.100806 H\n0.487909 0.334884 0.554447 H\n0.512091 0.834884 0.945553 H\n0.512091 0.665116 0.445553 H\n0.487909 0.165116 0.054447 H\n0.616543 0.353372 0.606351 H\n0.383457 0.853372 0.893649 H\n0.383457 0.646628 0.393649 H\n0.616543 0.146628 0.106351 H\n0.595617 0.299661 0.517275 H\n0.404383 0.799661 0.982725 H\n0.404383 0.700339 0.482725 H\n0.595617 0.200339 0.017275 H\n0.446323 0.275036 0.672979 H\n0.553677 0.775036 0.827021 H\n0.553677 0.724964 0.327021 H\n0.446323 0.224964 0.172979 H\n0.530241 0.202195 0.723050 H\n0.469759 0.702195 0.776950 H\n0.469759 0.797805 0.276950 H\n0.530241 0.297805 0.223050 H\n0.574281 0.299357 0.721973 H\n0.425719 0.799357 0.778027 H\n0.425719 0.700643 0.278027 H\n0.574281 0.200643 0.221973 H\n0.721188 0.247538 0.673393 H\n0.278812 0.747538 0.826607 H\n0.278812 0.752462 0.326607 H\n0.721188 0.252462 0.173393 H\n0.669488 0.152013 0.667181 H\n0.330512 0.652013 0.832819 H\n0.330512 0.847987 0.332819 H\n0.669488 0.347987 0.167181 H\n0.700553 0.196369 0.582579 H\n0.299447 0.696369 0.917421 H\n0.299447 0.803631 0.417421 H\n0.700553 0.303631 0.082579 H\n0.181116 0.267582 0.417928 H\n0.818884 0.767582 0.082072 H\n0.818884 0.732418 0.582072 H\n0.181116 0.232418 0.917928 H\n0.123250 0.228032 0.493383 H\n0.876750 0.728032 0.006617 H\n0.876750 0.771968 0.506617 H\n0.123250 0.271968 0.993383 H\n0.219401 0.174627 0.457067 H\n0.780599 0.674627 0.042933 H\n0.780599 0.825373 0.542933 H\n0.219401 0.325373 0.957067 H\n0.148326 0.214346 0.291584 H\n0.851674 0.714346 0.208416 H\n0.851674 0.785654 0.708416 H\n0.148326 0.285654 0.791584 H\n0.173762 0.117090 0.322904 H\n0.826238 0.617090 0.177096 H\n0.826238 0.882910 0.677096 H\n0.173762 0.382910 0.822904 H\n0.051540 0.141923 0.263644 H\n0.948460 0.641923 0.236356 H\n0.948460 0.858077 0.736356 H\n0.051540 0.358077 0.763644 H\n0.008820 0.285399 0.337116 H\n0.991180 0.785399 0.162884 H\n0.991180 0.714601 0.662884 H\n0.008820 0.214601 0.837116 H\n0.923475 0.204587 0.317207 H\n0.076525 0.704587 0.182793 H\n0.076525 0.795413 0.682793 H\n0.923475 0.295413 0.817207 H\n0.952757 0.244918 0.413155 H\n0.047243 0.744918 0.086845 H\n0.047243 0.755082 0.586845 H\n0.952757 0.255082 0.913155 H\n0.972502 0.081822 0.372010 H\n0.027498 0.581822 0.127990 H\n0.027498 0.918178 0.627990 H\n0.972502 0.418178 0.872010 H\n0.102220 0.064226 0.422507 H\n0.897780 0.564226 0.077493 H\n0.897780 0.935774 0.577493 H\n0.102220 0.435774 0.922507 H\n0.015799 0.117852 0.469162 H\n0.984201 0.617852 0.030838 H\n0.984201 0.882148 0.530838 H\n0.015799 0.382148 0.969162 H\n0.494961 0.181430 0.566776 C\n0.505039 0.681430 0.933224 C\n0.505039 0.818570 0.433224 C\n0.494961 0.318570 0.066776 C\n0.566543 0.311958 0.570145 C\n0.433457 0.811958 0.929855 C\n0.433457 0.688042 0.429855 C\n0.566543 0.188042 0.070145 C\n0.526145 0.255053 0.688662 C\n0.473855 0.755053 0.811338 C\n0.473855 0.744947 0.311338 C\n0.526145 0.244947 0.188662 C\n0.671886 0.206136 0.636176 C\n0.328114 0.706136 0.863824 C\n0.328114 0.793864 0.363824 C\n0.671886 0.293864 0.136176 C\n0.155089 0.214994 0.441871 C\n0.844911 0.714994 0.058129 C\n0.844911 0.785006 0.558129 C\n0.155089 0.285006 0.941871 C\n0.114880 0.161615 0.309701 C\n0.885120 0.661615 0.190299 C\n0.885120 0.838385 0.690299 C\n0.114880 0.338385 0.809701 C\n0.982886 0.232307 0.360702 C\n0.017114 0.732307 0.139298 C\n0.017114 0.767693 0.639298 C\n0.982886 0.267693 0.860702 C\n0.038294 0.105124 0.413728 C\n0.961706 0.605124 0.086272 C\n0.961706 0.894876 0.586272 C\n0.038294 0.394876 0.913728 C\n0.967594 0.063539 0.086053 Se\n0.032406 0.563539 0.413947 Se\n0.032406 0.936461 0.913947 Se\n0.967594 0.436461 0.586053 Se\n0.117097 0.067684 0.040253 Se\n0.882903 0.567684 0.459747 Se\n0.882903 0.932316 0.959747 Se\n0.117097 0.432316 0.540253 Se\n0.684288 0.921726 0.179110 Se\n0.315712 0.421726 0.320890 Se\n0.315712 0.078274 0.820890 Se\n0.684288 0.578274 0.679110 Se\n0.719272 0.041547 0.370664 Se\n0.280728 0.541547 0.129336 Se\n0.280728 0.958453 0.629336 Se\n0.719272 0.458453 0.870664 Se\n0.955979 0.912124 0.294872 Se\n0.044021 0.412124 0.205128 Se\n0.044021 0.087876 0.705128 Se\n0.955979 0.587876 0.794872 Se\n0.527744 0.995087 0.253078 Se\n0.472256 0.495087 0.246922 Se\n0.472256 0.004913 0.746922 Se\n0.527744 0.504913 0.753078 Se\n0.853053 0.156424 0.009565 Br\n0.146947 0.656424 0.490435 Br\n0.146947 0.843576 0.990435 Br\n0.853053 0.343576 0.509565 Br\n0.217428 0.163883 0.121282 Br\n0.782572 0.663883 0.378718 Br\n0.782572 0.836117 0.878718 Br\n0.217428 0.336117 0.621282 Br\n0.647738 0.964104 0.045461 Br\n0.352262 0.464104 0.454539 Br\n0.352262 0.035896 0.954539 Br\n0.647738 0.535896 0.545461 Br\n0.613684 0.792658 0.153479 Br\n0.386316 0.292658 0.346521 Br\n0.386316 0.207342 0.846521 Br\n0.613684 0.707342 0.653479 Br\n0.796640 0.057316 0.228694 Br\n0.203360 0.557316 0.271306 Br\n0.203360 0.942684 0.771306 Br\n0.796640 0.442684 0.728694 Br\n0.767181 0.888309 0.343651 Br\n0.232819 0.388309 0.156349 Br\n0.232819 0.111691 0.656349 Br\n0.767181 0.611691 0.843651 Br\n0.672157 0.006510 0.493390 Br\n0.327843 0.506510 0.006610 Br\n0.327843 0.993490 0.506610 Br\n0.672157 0.493490 0.993390 Br\n0.696580 0.181100 0.387194 Br\n0.303420 0.681100 0.112806 Br\n0.303420 0.818900 0.612806 Br\n0.696580 0.318900 0.887194 Br\n0.040746 0.810096 0.373057 Br\n0.959254 0.310096 0.126943 Br\n0.959254 0.189904 0.626943 Br\n0.040746 0.689904 0.873057 Br\n0.099581 0.945993 0.231491 Br\n0.900419 0.445993 0.268509 Br\n0.900419 0.054007 0.768509 Br\n0.099581 0.554007 0.731491 Br\n0.417238 0.064528 0.328838 Br\n0.582762 0.564528 0.171162 Br\n0.582762 0.935472 0.671162 Br\n0.417238 0.435472 0.828838 Br\n0.385055 0.945458 0.154545 Br\n0.614945 0.445458 0.345455 Br\n0.614945 0.054542 0.845455 Br\n0.385055 0.554542 0.654545 Br\n0.564791 0.238718 0.615280 N\n0.435209 0.738718 0.884720 N\n0.435209 0.761282 0.384720 N\n0.564791 0.261282 0.115280 N\n0.072748 0.178441 0.381464 N\n0.927252 0.678441 0.118536 N\n0.927252 0.821559 0.618536 N\n0.072748 0.321559 0.881464 N\n",
"nsites": 208,
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"elements": [
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"formula_full": "H96 C32 Se24 Br48 N8",
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"updated_at": "2021-11-28T01:37:51.531000Z",
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},
{
"id": "mp-1203811",
"created_at": "2022-09-04T14:43:38.290323Z",
"structure_string": "Sm4 B28 Cl4 O72\n1.0\n8.319457 0.000000 0.000000\n0.000000 16.743306 0.000000\n-8.301752 0.000000 9.921777\nSm B Cl O\n4 28 4 72\ndirect\n0.022865 0.707198 0.281057 Sm\n0.022865 0.792802 0.781057 Sm\n0.977135 0.292802 0.718943 Sm\n0.977135 0.207198 0.218943 Sm\n0.499044 0.698434 0.660556 B\n0.499044 0.801566 0.160556 B\n0.500956 0.301566 0.339444 B\n0.500956 0.198434 0.839444 B\n0.396820 0.710568 0.279851 B\n0.396820 0.789432 0.779851 B\n0.603180 0.289432 0.720149 B\n0.603180 0.210568 0.220149 B\n0.762636 0.714473 0.920145 B\n0.762636 0.785527 0.420145 B\n0.237364 0.285527 0.079855 B\n0.237364 0.214473 0.579855 B\n0.596581 0.758180 0.021080 B\n0.596581 0.741820 0.521080 B\n0.403419 0.241820 0.978920 B\n0.403419 0.258180 0.478920 B\n0.125705 0.735626 0.551590 B\n0.125705 0.764374 0.051590 B\n0.874295 0.264374 0.448410 B\n0.874295 0.235626 0.948410 B\n0.287028 0.566113 0.231082 B\n0.287028 0.933887 0.731082 B\n0.712972 0.433887 0.768918 B\n0.712972 0.066113 0.268918 B\n0.692983 0.584317 0.810161 B\n0.692983 0.915683 0.310161 B\n0.307017 0.415683 0.189839 B\n0.307017 0.084317 0.689839 B\n0.169748 0.919909 0.310418 Cl\n0.169748 0.580091 0.810418 Cl\n0.830252 0.080091 0.689582 Cl\n0.830252 0.419909 0.189582 Cl\n0.766064 0.733362 0.033370 O\n0.766064 0.766638 0.533370 O\n0.233936 0.266638 0.966630 O\n0.233936 0.233362 0.466630 O\n0.274209 0.710446 0.543016 O\n0.274209 0.789554 0.043016 O\n0.725791 0.289554 0.456984 O\n0.725791 0.210446 0.956984 O\n0.414131 0.718435 0.399919 O\n0.414131 0.781565 0.899919 O\n0.585869 0.281565 0.600081 O\n0.585869 0.218435 0.100081 O\n0.180748 0.737607 0.170569 O\n0.180748 0.762393 0.670569 O\n0.819252 0.262393 0.829431 O\n0.819252 0.237607 0.329431 O\n0.547177 0.615260 0.683531 O\n0.547177 0.884740 0.183531 O\n0.452823 0.384740 0.316469 O\n0.452823 0.115260 0.816469 O\n0.923686 0.735589 0.432042 O\n0.923686 0.764411 0.932042 O\n0.076314 0.264411 0.567958 O\n0.076314 0.235589 0.067958 O\n0.549262 0.737514 0.787235 O\n0.549262 0.762486 0.287235 O\n0.450738 0.262486 0.212765 O\n0.450738 0.237514 0.712765 O\n0.632117 0.758713 0.139768 O\n0.632117 0.741287 0.639768 O\n0.367883 0.241287 0.860232 O\n0.367883 0.258713 0.360232 O\n0.162519 0.589206 0.262303 O\n0.162519 0.910794 0.762303 O\n0.837481 0.410794 0.737697 O\n0.837481 0.089206 0.237697 O\n0.423307 0.626685 0.260659 O\n0.423307 0.873315 0.760659 O\n0.576693 0.373315 0.739341 O\n0.576693 0.126685 0.239341 O\n0.085675 0.554022 0.405238 O\n0.085675 0.945978 0.905238 O\n0.914325 0.445978 0.594762 O\n0.914325 0.054022 0.094762 O\n0.059447 0.850817 0.314288 O\n0.059447 0.649183 0.814288 O\n0.940553 0.149183 0.685712 O\n0.940553 0.350817 0.185712 O\n0.797580 0.597696 0.227221 O\n0.797580 0.902304 0.727221 O\n0.202420 0.402304 0.772779 O\n0.202420 0.097696 0.272779 O\n0.142751 0.987729 0.368503 O\n0.142751 0.512271 0.868503 O\n0.857249 0.012271 0.631497 O\n0.857249 0.487729 0.131497 O\n0.387327 0.900581 0.385682 O\n0.387327 0.599419 0.885682 O\n0.612673 0.099419 0.614318 O\n0.612673 0.400581 0.114318 O\n0.066559 0.934624 0.167597 O\n0.066559 0.565376 0.667597 O\n0.933441 0.065376 0.832403 O\n0.933441 0.434624 0.332403 O\n0.803298 0.631445 0.922647 O\n0.803298 0.868555 0.422647 O\n0.196702 0.368555 0.077353 O\n0.196702 0.131445 0.577353 O\n0.271998 0.497018 0.173484 O\n0.271998 0.002982 0.673484 O\n0.728002 0.502982 0.826516 O\n0.728002 0.997018 0.326516 O\n",
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"updated_at": "2021-11-28T01:36:16.531000Z",
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},
{
"id": "mp-758550",
"created_at": "2022-09-04T14:41:51.030573Z",
"structure_string": "K8 Li6 Mn4 O16\n1.0\n8.451182 0.000000 0.000000\n0.000000 5.649316 0.000000\n0.000000 3.424749 10.933881\nK Li Mn O\n8 6 4 16\ndirect\n0.253427 0.326666 0.845073 K\n0.989790 0.782847 0.380296 K\n0.751001 0.689695 0.663794 K\n0.010210 0.782847 0.880296 K\n0.460398 0.263222 0.114144 K\n0.746573 0.326666 0.345073 K\n0.539602 0.263222 0.614144 K\n0.248999 0.689695 0.163794 K\n0.720139 0.340607 0.923446 Li\n0.235488 0.623477 0.568335 Li\n0.701135 0.897074 0.201476 Li\n0.298865 0.897074 0.701476 Li\n0.279861 0.340607 0.423446 Li\n0.764512 0.623477 0.068335 Li\n0.958567 0.131125 0.069722 Mn\n0.464262 0.867479 0.428472 Mn\n0.041433 0.131125 0.569722 Mn\n0.535738 0.867479 0.928472 Mn\n0.547493 0.197625 0.864647 O\n0.940093 0.226783 0.914027 O\n0.297814 0.692028 0.398361 O\n0.665417 0.820485 0.378152 O\n0.437307 0.767210 0.597215 O\n0.073879 0.811762 0.632763 O\n0.140372 0.213590 0.105081 O\n0.702186 0.692028 0.898361 O\n0.790490 0.254174 0.120862 O\n0.334583 0.820485 0.878152 O\n0.452507 0.197625 0.364647 O\n0.059907 0.226783 0.414027 O\n0.859628 0.213590 0.605081 O\n0.209510 0.254174 0.620862 O\n0.562693 0.767210 0.097215 O\n0.926121 0.811762 0.132763 O\n",
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"volume": 522.0206288946669,
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"formula_full": "K8 Li6 Mn4 O16",
"formula_reduced": "K4Li3Mn2O8",
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"updated_at": "2021-11-28T01:35:29.783000Z",
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},
{
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"updated_at": "2021-11-28T01:35:26.394000Z",
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},
{
"id": "mp-863006",
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}
]
}