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{
"id": "mp-1193745",
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"structure_string": "Ce4 As4 O16 F4\n1.0\n6.708095 0.000000 0.000000\n0.000000 7.199052 0.000000\n0.000000 0.000000 8.827231\nCe As O F\n4 4 16 4\ndirect\n0.852405 0.250000 0.456477 Ce\n0.647595 0.250000 0.956477 Ce\n0.147595 0.750000 0.543523 Ce\n0.352405 0.750000 0.043523 Ce\n0.176187 0.250000 0.103927 As\n0.323813 0.250000 0.603927 As\n0.823813 0.750000 0.896073 As\n0.676187 0.750000 0.396073 As\n0.338000 0.066987 0.070471 O\n0.162000 0.433013 0.570471 O\n0.662000 0.566987 0.929529 O\n0.838000 0.933013 0.429529 O\n0.662000 0.933013 0.929529 O\n0.838000 0.566987 0.429529 O\n0.338000 0.433013 0.070471 O\n0.162000 0.066987 0.570471 O\n0.980552 0.250000 0.980514 O\n0.519448 0.250000 0.480514 O\n0.019448 0.750000 0.019486 O\n0.480552 0.750000 0.519486 O\n0.100630 0.250000 0.287831 O\n0.399370 0.250000 0.787831 O\n0.899370 0.750000 0.712169 O\n0.600630 0.750000 0.212169 O\n0.799389 0.250000 0.710382 F\n0.700611 0.250000 0.210382 F\n0.200611 0.750000 0.289618 F\n0.299389 0.750000 0.789618 F\n",
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{
"id": "mp-677520",
"created_at": "2022-09-04T14:42:38.640458Z",
"structure_string": "K2 Ba12 Zn8 Ga14 O42\n1.0\n10.971353 0.000000 0.000000\n-5.476622 9.516117 0.000000\n-0.038805 -0.022931 11.965297\nK Ba Zn Ga O\n2 12 8 14 42\ndirect\n0.666070 0.332838 0.598349 K\n0.333662 0.665539 0.097144 K\n0.268758 0.143737 0.036239 Ba\n0.397495 0.201947 0.366350 Ba\n0.800217 0.603387 0.364558 Ba\n0.874498 0.731691 0.035974 Ba\n0.127045 0.860350 0.542174 Ba\n0.800740 0.197983 0.365374 Ba\n0.196891 0.802629 0.862740 Ba\n0.858009 0.124391 0.038495 Ba\n0.199460 0.395136 0.864548 Ba\n0.145205 0.265958 0.540557 Ba\n0.604811 0.801763 0.866327 Ba\n0.734250 0.875609 0.537495 Ba\n0.340261 0.174720 0.719358 Zn\n0.527746 0.523587 0.112537 Zn\n0.474953 0.004237 0.111524 Zn\n0.833372 0.659145 0.722271 Zn\n0.994484 0.469316 0.112076 Zn\n0.004216 0.473790 0.612343 Zn\n0.469820 0.998593 0.610399 Zn\n0.440150 0.569723 0.371261 Zn\n0.570775 0.441292 0.867554 Ga\n0.561102 0.131034 0.868848 Ga\n0.666206 0.333298 0.186788 Ga\n0.002271 0.002975 0.796841 Ga\n0.868178 0.431318 0.865761 Ga\n0.822683 0.165792 0.722625 Ga\n0.166555 0.822824 0.222239 Ga\n0.133122 0.564459 0.368845 Ga\n0.429680 0.867311 0.368413 Ga\n0.331631 0.664108 0.687222 Ga\n0.179277 0.345159 0.221862 Ga\n0.656963 0.833223 0.223479 Ga\n0.527272 0.528826 0.611893 Ga\n0.999145 0.999849 0.296442 Ga\n0.157124 0.164046 0.241029 O\n0.435911 0.416595 0.971907 O\n0.478243 0.391005 0.726131 O\n0.372480 0.108086 0.576859 O\n0.376766 0.089303 0.854021 O\n0.488947 0.183045 0.154822 O\n0.712952 0.626607 0.856330 O\n0.722271 0.620147 0.580930 O\n0.694946 0.511164 0.154591 O\n0.666240 0.333768 0.885531 O\n0.667153 0.333117 0.349830 O\n0.583605 0.018758 0.973822 O\n0.624592 0.095882 0.730166 O\n0.005892 0.841133 0.240634 O\n0.005086 0.845053 0.740186 O\n0.906600 0.523344 0.728090 O\n0.815905 0.304803 0.155494 O\n0.981274 0.560964 0.972851 O\n0.016182 0.578879 0.472419 O\n0.887956 0.256377 0.586320 O\n0.905391 0.281692 0.849163 O\n0.094199 0.624424 0.229249 O\n0.259060 0.887128 0.086811 O\n0.284174 0.909629 0.346461 O\n0.836399 0.997191 0.238623 O\n0.308792 0.815592 0.654524 O\n0.093292 0.377960 0.346786 O\n0.109272 0.369499 0.086375 O\n0.184265 0.486933 0.653717 O\n0.329724 0.670923 0.387818 O\n0.998018 0.999823 0.952545 O\n0.335185 0.666865 0.848955 O\n0.563946 0.980293 0.472414 O\n0.528891 0.904785 0.229792 O\n0.157312 0.167766 0.742978 O\n0.374566 0.464884 0.225850 O\n0.507738 0.683344 0.653554 O\n0.423159 0.432799 0.485858 O\n0.628244 0.741309 0.086752 O\n0.636008 0.725187 0.348462 O\n0.836842 0.003390 0.742436 O\n0.998424 0.998970 0.450812 O\n",
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"formula_full": "K2 Ba12 Zn8 Ga14 O42",
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{
"id": "mp-556215",
"created_at": "2022-09-04T14:42:26.386505Z",
"structure_string": "K18 Li6 I4 O26\n1.0\n4.764625 -8.252573 0.000000\n4.764625 8.252573 0.000000\n0.000000 0.000000 11.753293\nK Li I O\n18 6 4 26\ndirect\n0.549764 0.897745 0.250000 K\n0.450236 0.347981 0.750000 K\n0.652019 0.102255 0.750000 K\n0.779998 0.000000 0.000000 K\n0.897745 0.549764 0.750000 K\n0.000000 0.779998 0.000000 K\n0.374701 0.107487 0.250000 K\n0.347981 0.450236 0.250000 K\n0.779998 0.000000 0.500000 K\n0.732786 0.625299 0.250000 K\n0.892513 0.267214 0.250000 K\n0.102255 0.652019 0.250000 K\n0.625299 0.732786 0.750000 K\n0.000000 0.779998 0.500000 K\n0.267214 0.892513 0.750000 K\n0.107487 0.374701 0.750000 K\n0.220002 0.220002 0.500000 K\n0.220002 0.220002 0.000000 K\n0.540309 0.540309 0.000000 Li\n0.459691 0.000000 0.000000 Li\n0.540309 0.540309 0.500000 Li\n0.000000 0.459691 0.500000 Li\n0.459691 0.000000 0.500000 Li\n0.000000 0.459691 0.000000 Li\n0.333333 0.666667 0.990407 I\n0.666667 0.333333 0.009593 I\n0.666667 0.333333 0.490407 I\n0.333333 0.666667 0.509593 I\n0.301683 0.815717 0.083808 O\n0.485966 0.184283 0.916192 O\n0.184283 0.485966 0.416192 O\n0.151815 0.632132 0.600692 O\n0.480317 0.848185 0.899308 O\n0.519683 0.367868 0.100692 O\n0.815717 0.301683 0.583808 O\n0.367868 0.519683 0.600692 O\n0.698317 0.514034 0.916192 O\n0.301683 0.815717 0.416192 O\n0.184283 0.485966 0.083808 O\n0.519683 0.367868 0.399308 O\n0.848185 0.480317 0.100692 O\n0.485966 0.184283 0.583808 O\n0.151815 0.632132 0.899308 O\n0.632132 0.151815 0.100692 O\n0.367868 0.519683 0.899308 O\n0.514034 0.698317 0.416192 O\n0.000000 0.000000 0.250000 O\n0.480317 0.848185 0.600692 O\n0.698317 0.514034 0.583808 O\n0.815717 0.301683 0.916192 O\n0.514034 0.698317 0.083808 O\n0.632132 0.151815 0.399308 O\n0.000000 0.000000 0.750000 O\n0.848185 0.480317 0.399308 O\n",
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"formula_full": "K18 Li6 I4 O26",
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},
{
"id": "mp-1078562",
"created_at": "2022-09-04T14:42:42.811694Z",
"structure_string": "Sr2 Ag2 S2 F2\n1.0\n4.108626 0.000000 0.000000\n0.000000 4.108626 0.000000\n0.000000 0.000000 9.130103\nSr Ag S F\n2 2 2 2\ndirect\n0.000000 0.500000 0.843945 Sr\n0.500000 0.000000 0.156055 Sr\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.308293 S\n0.500000 0.000000 0.691707 S\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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{
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"structure_string": "Si16 O32\n1.0\n11.593486 0.000000 0.000000\n0.000000 11.593486 0.000000\n0.000000 0.000000 5.192200\nSi O\n16 32\ndirect\n0.155652 0.075946 0.989295 Si\n0.597462 0.199906 0.723101 Si\n0.655652 0.424054 0.510705 Si\n0.575946 0.655652 0.489295 Si\n0.699906 0.097462 0.223101 Si\n0.924054 0.155652 0.010705 Si\n0.344348 0.575946 0.510705 Si\n0.402538 0.800094 0.723101 Si\n0.902538 0.699906 0.776899 Si\n0.800094 0.597462 0.276899 Si\n0.300094 0.902538 0.223101 Si\n0.097462 0.300094 0.776899 Si\n0.199906 0.402538 0.276899 Si\n0.424054 0.344348 0.489295 Si\n0.844348 0.924054 0.989295 Si\n0.075946 0.844348 0.010705 Si\n0.820099 0.816807 0.792488 O\n0.183193 0.820099 0.207512 O\n0.860304 0.608526 0.998771 O\n0.608526 0.139696 0.001229 O\n0.618969 0.544047 0.666002 O\n0.235420 0.538501 0.329622 O\n0.264580 0.038501 0.170378 O\n0.118969 0.955953 0.833998 O\n0.455953 0.618969 0.333998 O\n0.538501 0.764580 0.670378 O\n0.381031 0.455953 0.666002 O\n0.955953 0.881031 0.166002 O\n0.764580 0.461499 0.329622 O\n0.179901 0.183193 0.792488 O\n0.816807 0.179901 0.207512 O\n0.461499 0.235420 0.670378 O\n0.108526 0.360304 0.498771 O\n0.891474 0.639696 0.498771 O\n0.316807 0.320099 0.292488 O\n0.038501 0.735420 0.829622 O\n0.683193 0.679901 0.292488 O\n0.044047 0.118969 0.166002 O\n0.639696 0.108526 0.501229 O\n0.360304 0.891474 0.501229 O\n0.961499 0.264580 0.829622 O\n0.735420 0.961499 0.170378 O\n0.881031 0.044047 0.833998 O\n0.320099 0.683193 0.707512 O\n0.679901 0.316807 0.707512 O\n0.544047 0.381031 0.333998 O\n0.391474 0.860304 0.001229 O\n0.139696 0.391474 0.998771 O\n",
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{
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{
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"structure_string": "K2 Nb4 Cl22\n1.0\n7.050938 0.000000 0.000000\n0.314597 7.103365 0.000000\n3.369767 3.155837 17.049617\nK Nb Cl\n2 4 22\ndirect\n0.746966 0.747421 0.503414 K\n0.253034 0.252579 0.496586 K\n0.325059 0.822445 0.337827 Nb\n0.674941 0.177555 0.662173 Nb\n0.827431 0.326036 0.088747 Nb\n0.172569 0.673964 0.911253 Nb\n0.253725 0.772728 0.486268 Cl\n0.746275 0.227272 0.513732 Cl\n0.575258 0.027031 0.346090 Cl\n0.424742 0.972969 0.653910 Cl\n0.542222 0.556147 0.352271 Cl\n0.457778 0.443853 0.647729 Cl\n0.385969 0.860314 0.203018 Cl\n0.614031 0.139686 0.796982 Cl\n0.065147 0.606097 0.353413 Cl\n0.934853 0.393903 0.646587 Cl\n0.104010 0.083090 0.339937 Cl\n0.895990 0.916910 0.660063 Cl\n0.897427 0.024741 0.149990 Cl\n0.102573 0.975259 0.850010 Cl\n0.520198 0.376167 0.152770 Cl\n0.479802 0.623833 0.847230 Cl\n0.719243 0.215164 0.988277 Cl\n0.280757 0.784836 0.011723 Cl\n0.970138 0.476591 0.170100 Cl\n0.029862 0.523409 0.829900 Cl\n0.169338 0.338417 0.999416 Cl\n0.830662 0.661583 0.000584 Cl\n",
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{
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}