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{
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{
"id": "mp-768104",
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"structure_string": "Li6 Ni13 O26\n1.0\n4.894691 0.000000 0.000000\n0.820878 9.826476 0.000000\n1.343449 3.697572 9.111574\nLi Ni O\n6 13 26\ndirect\n0.040465 0.576115 0.346609 Li\n0.802003 0.108937 0.284093 Li\n0.119567 0.729681 0.036800 Li\n0.880433 0.270319 0.963200 Li\n0.197997 0.891063 0.715907 Li\n0.959535 0.423885 0.653391 Li\n0.114835 0.731732 0.539291 Ni\n0.885165 0.268268 0.460709 Ni\n0.653590 0.804019 0.385144 Ni\n0.422537 0.348334 0.306991 Ni\n0.961543 0.423280 0.153813 Ni\n0.192107 0.886744 0.231122 Ni\n0.500000 0.500000 0.000000 Ni\n0.731923 0.956654 0.076102 Ni\n0.268077 0.043346 0.923898 Ni\n0.807893 0.113256 0.768878 Ni\n0.038457 0.576720 0.846187 Ni\n0.577463 0.651666 0.693009 Ni\n0.346410 0.195981 0.614856 Ni\n0.413895 0.818401 0.566710 O\n0.178957 0.364022 0.484045 O\n0.821043 0.635978 0.515955 O\n0.586105 0.181599 0.433290 O\n0.754990 0.440515 0.320968 O\n0.971570 0.901439 0.394454 O\n0.506562 0.973598 0.250794 O\n0.326778 0.715369 0.371430 O\n0.092202 0.251228 0.295056 O\n0.665002 0.331402 0.129425 O\n0.255291 0.516985 0.177605 O\n0.027464 0.055243 0.099566 O\n0.906114 0.789133 0.205030 O\n0.595614 0.129564 0.936543 O\n0.830030 0.595221 0.011944 O\n0.169970 0.404779 0.988056 O\n0.404386 0.870436 0.063457 O\n0.493438 0.026402 0.749206 O\n0.334998 0.668598 0.870575 O\n0.093886 0.210867 0.794970 O\n0.972536 0.944757 0.900434 O\n0.744709 0.483015 0.822395 O\n0.673222 0.284631 0.628570 O\n0.245010 0.559485 0.679032 O\n0.028430 0.098561 0.605546 O\n0.907798 0.748772 0.704944 O\n",
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},
{
"id": "mp-1195450",
"created_at": "2022-09-04T14:48:03.803574Z",
"structure_string": "Li8 Ca4 B32 H28 O70\n1.0\n3.398927 10.058784 0.000000\n-3.398927 10.058784 0.000000\n0.000000 1.408960 20.224318\nLi Ca B H O\n8 4 32 28 70\ndirect\n0.112444 0.259097 0.270722 Li\n0.740903 0.887556 0.229278 Li\n0.887556 0.740903 0.729278 Li\n0.259097 0.112444 0.770722 Li\n0.509702 0.400107 0.340917 Li\n0.599893 0.490298 0.159083 Li\n0.490298 0.599893 0.659083 Li\n0.400107 0.509702 0.840917 Li\n0.381269 0.152897 0.091842 Ca\n0.847103 0.618731 0.408158 Ca\n0.618731 0.847103 0.908158 Ca\n0.152897 0.381269 0.591842 Ca\n0.124626 0.451425 0.194640 B\n0.548575 0.875374 0.305360 B\n0.875374 0.548575 0.805360 B\n0.451425 0.124626 0.694640 B\n0.208031 0.450731 0.306686 B\n0.549269 0.791969 0.193314 B\n0.791969 0.549269 0.693314 B\n0.450731 0.208031 0.806686 B\n0.445988 0.334384 0.210527 B\n0.665616 0.554012 0.289473 B\n0.554012 0.665616 0.789473 B\n0.334384 0.445988 0.710527 B\n0.934730 0.705210 0.096533 B\n0.294790 0.065270 0.403467 B\n0.065270 0.294790 0.903467 B\n0.705210 0.934730 0.596533 B\n0.733792 0.968393 0.004932 B\n0.031607 0.266208 0.495068 B\n0.266208 0.031607 0.995068 B\n0.968393 0.733792 0.504932 B\n0.058588 0.594255 0.982020 B\n0.405745 0.941412 0.517980 B\n0.941412 0.405745 0.017980 B\n0.594255 0.058588 0.482020 B\n0.267360 0.432378 0.431640 B\n0.567622 0.732640 0.068360 B\n0.732640 0.567622 0.568360 B\n0.432378 0.267360 0.931640 B\n0.707757 0.205474 0.952784 B\n0.794526 0.292243 0.547216 B\n0.292243 0.794526 0.047216 B\n0.205474 0.707757 0.452784 B\n0.927700 0.156917 0.961994 H\n0.843083 0.072300 0.538006 H\n0.072300 0.843083 0.038006 H\n0.156917 0.927700 0.461994 H\n0.979120 0.412843 0.153152 H\n0.587157 0.020880 0.346848 H\n0.020880 0.587157 0.846848 H\n0.412843 0.979120 0.653152 H\n0.341284 0.545304 0.137765 H\n0.454696 0.658716 0.362235 H\n0.658716 0.454696 0.862235 H\n0.545304 0.341284 0.637765 H\n0.754499 0.115982 0.186295 H\n0.884018 0.245501 0.313705 H\n0.245501 0.884018 0.813705 H\n0.115982 0.754499 0.686295 H\n0.873820 0.049587 0.393053 H\n0.950413 0.126180 0.106947 H\n0.126180 0.950413 0.606947 H\n0.049587 0.873820 0.893053 H\n0.904166 0.020633 0.315868 H\n0.979367 0.095834 0.184132 H\n0.095834 0.979367 0.684132 H\n0.020633 0.904166 0.815868 H\n0.184876 0.758062 0.227361 H\n0.241938 0.815124 0.272639 H\n0.815124 0.241938 0.772639 H\n0.758062 0.184876 0.727361 H\n0.331580 0.331201 0.175737 O\n0.668799 0.668420 0.324263 O\n0.668420 0.668799 0.824263 O\n0.331201 0.331580 0.675737 O\n0.087582 0.476216 0.266883 O\n0.523784 0.912418 0.233117 O\n0.912418 0.523784 0.733117 O\n0.476216 0.087582 0.766883 O\n0.370041 0.395574 0.281947 O\n0.604426 0.629959 0.218053 O\n0.629959 0.604426 0.718053 O\n0.395574 0.370041 0.781947 O\n0.092705 0.548071 0.050747 O\n0.451929 0.907295 0.449253 O\n0.907295 0.451929 0.949253 O\n0.548071 0.092705 0.550747 O\n0.756464 0.905439 0.075131 O\n0.094561 0.243536 0.424869 O\n0.243536 0.094561 0.924869 O\n0.905439 0.756464 0.575131 O\n0.862530 0.785764 0.962244 O\n0.214236 0.137470 0.537756 O\n0.137470 0.214236 0.037756 O\n0.785764 0.862530 0.462244 O\n0.205077 0.457815 0.935263 O\n0.542185 0.794923 0.564737 O\n0.794923 0.542185 0.064737 O\n0.457815 0.205077 0.435263 O\n0.515505 0.131314 0.989555 O\n0.868686 0.484495 0.510445 O\n0.484495 0.868686 0.010445 O\n0.131314 0.515505 0.489555 O\n0.811010 0.038476 0.994792 O\n0.961524 0.188990 0.505208 O\n0.188990 0.961524 0.005208 O\n0.038476 0.811010 0.494792 O\n0.321835 0.526273 0.422304 O\n0.473727 0.678165 0.077696 O\n0.678165 0.473727 0.577696 O\n0.526273 0.321835 0.922304 O\n0.796479 0.252802 0.938240 O\n0.747198 0.203521 0.561760 O\n0.203521 0.747198 0.061760 O\n0.252802 0.796479 0.438240 O\n0.955383 0.663117 0.162881 O\n0.336883 0.044617 0.337119 O\n0.044617 0.336883 0.837119 O\n0.663117 0.955383 0.662881 O\n0.413529 0.490311 0.179882 O\n0.509689 0.586471 0.320118 O\n0.586471 0.509689 0.820118 O\n0.490311 0.413529 0.679882 O\n0.668176 0.123802 0.212512 O\n0.876198 0.331824 0.287488 O\n0.331824 0.876198 0.787488 O\n0.123802 0.668176 0.712512 O\n0.108823 0.330933 0.174054 O\n0.669067 0.891177 0.325946 O\n0.891177 0.669067 0.825946 O\n0.330933 0.108823 0.674054 O\n0.153493 0.484376 0.372841 O\n0.515624 0.846507 0.127159 O\n0.846507 0.515624 0.627159 O\n0.484376 0.153493 0.872841 O\n0.805699 0.121812 0.351239 O\n0.878188 0.194301 0.148761 O\n0.194301 0.878188 0.648761 O\n0.121812 0.805699 0.851239 O\n0.120078 0.879922 0.250000 O\n0.879922 0.120078 0.750000 O\n",
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],
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"formula_full": "Li8 Ca4 B32 H28 O70",
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"spacegroup": 15
},
{
"id": "mp-1201885",
"created_at": "2022-09-04T14:47:05.486485Z",
"structure_string": "Mg4 B24 H48 O70\n1.0\n12.378599 -5.871637 0.000000\n12.378599 5.871637 0.000000\n9.593460 0.000000 9.781174\nMg B H O\n4 24 48 70\ndirect\n0.356737 0.356737 0.356737 Mg\n0.856737 0.856737 0.856737 Mg\n0.643263 0.643263 0.643263 Mg\n0.143263 0.143263 0.143263 Mg\n0.313621 0.418195 0.568863 B\n0.568863 0.313621 0.418195 B\n0.418195 0.568863 0.313621 B\n0.068863 0.918195 0.813621 B\n0.813621 0.068863 0.918195 B\n0.918195 0.813621 0.068863 B\n0.686379 0.581805 0.431137 B\n0.431137 0.686379 0.581805 B\n0.581805 0.431137 0.686379 B\n0.931137 0.081805 0.186379 B\n0.186379 0.931137 0.081805 B\n0.081805 0.186379 0.931137 B\n0.327068 0.520574 0.779517 B\n0.779517 0.327068 0.520574 B\n0.520574 0.779517 0.327068 B\n0.279517 0.020574 0.827068 B\n0.827068 0.279517 0.020574 B\n0.020574 0.827068 0.279517 B\n0.672932 0.479426 0.220483 B\n0.220483 0.672932 0.479426 B\n0.479426 0.220483 0.672932 B\n0.720483 0.979426 0.172932 B\n0.172932 0.720483 0.979426 B\n0.979426 0.172932 0.720483 B\n0.795740 0.727269 0.132348 H\n0.132348 0.795740 0.727269 H\n0.727269 0.132348 0.795740 H\n0.632348 0.227269 0.295740 H\n0.295740 0.632348 0.227269 H\n0.227269 0.295740 0.632348 H\n0.204260 0.272731 0.867652 H\n0.867652 0.204260 0.272731 H\n0.272731 0.867652 0.204260 H\n0.367652 0.772731 0.704260 H\n0.704260 0.367652 0.772731 H\n0.772731 0.704260 0.367652 H\n0.946768 0.631908 0.813808 H\n0.813808 0.946768 0.631908 H\n0.631908 0.813808 0.946768 H\n0.313808 0.131908 0.446768 H\n0.446768 0.313808 0.131908 H\n0.131908 0.446768 0.313808 H\n0.053232 0.368092 0.186192 H\n0.186192 0.053232 0.368092 H\n0.368092 0.186192 0.053232 H\n0.686192 0.868092 0.553232 H\n0.553232 0.686192 0.868092 H\n0.868092 0.553232 0.686192 H\n0.049236 0.597658 0.860572 H\n0.860572 0.049236 0.597658 H\n0.597658 0.860572 0.049236 H\n0.360572 0.097658 0.549236 H\n0.549236 0.360572 0.097658 H\n0.097658 0.549236 0.360572 H\n0.950764 0.402342 0.139428 H\n0.139428 0.950764 0.402342 H\n0.402342 0.139428 0.950764 H\n0.639428 0.902342 0.450764 H\n0.450764 0.639428 0.902342 H\n0.902342 0.450764 0.639428 H\n0.953781 0.457919 0.817401 H\n0.817401 0.953781 0.457919 H\n0.457919 0.817401 0.953781 H\n0.317401 0.957919 0.453781 H\n0.453781 0.317401 0.957919 H\n0.957919 0.453781 0.317401 H\n0.046219 0.542081 0.182599 H\n0.182599 0.046219 0.542081 H\n0.542081 0.182599 0.046219 H\n0.682599 0.042081 0.546219 H\n0.546219 0.682599 0.042081 H\n0.042081 0.546219 0.682599 H\n0.351100 0.323936 0.688157 O\n0.688157 0.351100 0.323936 O\n0.323936 0.688157 0.351100 O\n0.188157 0.823936 0.851100 O\n0.851100 0.188157 0.823936 O\n0.823936 0.851100 0.188157 O\n0.648900 0.676064 0.311843 O\n0.311843 0.648900 0.676064 O\n0.676064 0.311843 0.648900 O\n0.811843 0.176064 0.148900 O\n0.148900 0.811843 0.176064 O\n0.176064 0.148900 0.811843 O\n0.209778 0.550072 0.580682 O\n0.580682 0.209778 0.550072 O\n0.550072 0.580682 0.209778 O\n0.080682 0.050072 0.709778 O\n0.709778 0.080682 0.050072 O\n0.050072 0.709778 0.080682 O\n0.790222 0.449928 0.419318 O\n0.419318 0.790222 0.449928 O\n0.449928 0.419318 0.790222 O\n0.919318 0.949928 0.290222 O\n0.290222 0.919318 0.949928 O\n0.949928 0.290222 0.919318 O\n0.440991 0.440991 0.440991 O\n0.940991 0.940991 0.940991 O\n0.559009 0.559009 0.559009 O\n0.059009 0.059009 0.059009 O\n0.861980 0.767943 0.048960 O\n0.048960 0.861980 0.767943 O\n0.767943 0.048960 0.861980 O\n0.548960 0.267943 0.361980 O\n0.361980 0.548960 0.267943 O\n0.267943 0.361980 0.548960 O\n0.138020 0.232057 0.951040 O\n0.951040 0.138020 0.232057 O\n0.232057 0.951040 0.138020 O\n0.451040 0.732057 0.638020 O\n0.638020 0.451040 0.732057 O\n0.732057 0.638020 0.451040 O\n0.207232 0.500910 0.879480 O\n0.879480 0.207232 0.500910 O\n0.500910 0.879480 0.207232 O\n0.379480 0.000910 0.707232 O\n0.707232 0.379480 0.000910 O\n0.000910 0.707232 0.379480 O\n0.792768 0.499090 0.120520 O\n0.120520 0.792768 0.499090 O\n0.499090 0.120520 0.792768 O\n0.620520 0.999090 0.292768 O\n0.292768 0.620520 0.999090 O\n0.999090 0.292768 0.620520 O\n0.967756 0.670242 0.837688 O\n0.837688 0.967756 0.670242 O\n0.670242 0.837688 0.967756 O\n0.337688 0.170242 0.467756 O\n0.467756 0.337688 0.170242 O\n0.170242 0.467756 0.337688 O\n0.032244 0.329758 0.162312 O\n0.162312 0.032244 0.329758 O\n0.329758 0.162312 0.032244 O\n0.662312 0.829758 0.532244 O\n0.532244 0.662312 0.829758 O\n0.829758 0.532244 0.662312 O\n0.250000 0.052449 0.447551 O\n0.447551 0.250000 0.052449 O\n0.052449 0.447551 0.250000 O\n0.947551 0.552449 0.750000 O\n0.750000 0.947551 0.552449 O\n0.552449 0.750000 0.947551 O\n",
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{
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"structure_string": "Al8 Ni4 O16\n1.0\n1.660924 4.696410 2.877347\n-5.100208 -0.000760 2.943727\n3.283434 -4.648192 5.692104\nAl Ni O\n8 4 16\ndirect\n0.500007 0.000381 0.499949 Al\n0.000051 0.499595 0.000029 Al\n0.250011 0.749612 0.749856 Al\n0.749993 0.250444 0.250113 Al\n0.999975 0.000385 0.499992 Al\n0.500046 0.499604 0.000019 Al\n0.250016 0.249600 0.750185 Al\n0.749993 0.750428 0.249884 Al\n0.249926 0.500233 0.381825 Ni\n0.249633 0.998985 0.118258 Ni\n0.750075 0.999582 0.881578 Ni\n0.750164 0.500861 0.618297 Ni\n0.250003 0.215986 0.512264 O\n0.750080 0.715626 0.012030 O\n0.749973 0.784848 0.487609 O\n0.250011 0.283603 0.988067 O\n0.028572 0.999542 0.739432 O\n0.528502 0.500371 0.239481 O\n0.971436 0.000525 0.260578 O\n0.471448 0.499606 0.760564 O\n0.471396 0.999562 0.739411 O\n0.971512 0.500389 0.239463 O\n0.249941 0.784521 0.512091 O\n0.750017 0.284021 0.012231 O\n0.750039 0.216445 0.488098 O\n0.250064 0.715156 0.987591 O\n0.528515 0.000506 0.260525 O\n0.028605 0.499583 0.760583 O\n",
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{
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}