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{
"id": "mp-1214590",
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"structure_string": "Ba2 Pr1 Co1 Cu2 O7\n1.0\n3.924367 0.000000 0.000000\n0.000000 3.945862 0.000000\n0.000000 0.000000 11.953190\nBa Pr Co Cu O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.184285 Ba\n0.500000 0.500000 0.815715 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.355905 Cu\n0.000000 0.000000 0.644095 Cu\n0.500000 0.000000 0.369891 O\n0.500000 0.000000 0.630109 O\n0.000000 0.000000 0.149959 O\n0.000000 0.000000 0.850041 O\n0.000000 0.500000 0.370532 O\n0.000000 0.500000 0.629468 O\n0.000000 0.500000 0.000000 O\n",
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{
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"structure_string": "Rb4 Cu2 H24 Se4 O28\n1.0\n12.768903 0.000000 0.000000\n0.000000 6.410741 0.000000\n0.000000 2.330325 9.198808\nRb Cu H Se O\n4 2 24 4 28\ndirect\n0.349252 0.653527 0.123939 Rb\n0.849252 0.346473 0.376061 Rb\n0.650748 0.346473 0.876061 Rb\n0.150748 0.653527 0.623939 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.864935 0.691389 0.031899 H\n0.364935 0.308611 0.468101 H\n0.135065 0.308611 0.968101 H\n0.635065 0.691389 0.531899 H\n0.942064 0.679640 0.900982 H\n0.442064 0.320360 0.599018 H\n0.057936 0.320360 0.099018 H\n0.557936 0.679640 0.400982 H\n0.875542 0.086154 0.772684 H\n0.375542 0.913846 0.727316 H\n0.124458 0.913846 0.227316 H\n0.624458 0.086154 0.272684 H\n0.910515 0.310108 0.808818 H\n0.410515 0.689892 0.691182 H\n0.089485 0.689892 0.191182 H\n0.589485 0.310108 0.308818 H\n0.811771 0.003827 0.167501 H\n0.311771 0.996173 0.332499 H\n0.188229 0.996173 0.832499 H\n0.688229 0.003827 0.667501 H\n0.899202 0.926389 0.286603 H\n0.399202 0.073611 0.213397 H\n0.100798 0.073611 0.713397 H\n0.600798 0.926389 0.786603 H\n0.358642 0.270020 0.891447 Se\n0.858642 0.729980 0.608553 Se\n0.641358 0.729980 0.108553 Se\n0.141358 0.270020 0.391447 Se\n0.938949 0.719486 0.996796 O\n0.438949 0.280514 0.503204 O\n0.061051 0.280514 0.003204 O\n0.561051 0.719486 0.496796 O\n0.889812 0.157680 0.853053 O\n0.389812 0.842320 0.646947 O\n0.110188 0.842320 0.146947 O\n0.610188 0.157680 0.353053 O\n0.884582 0.032924 0.193457 O\n0.384582 0.967076 0.306543 O\n0.115418 0.967076 0.806543 O\n0.615418 0.032924 0.693457 O\n0.430090 0.240154 0.042271 O\n0.930090 0.759846 0.457729 O\n0.569910 0.759846 0.957729 O\n0.069910 0.240154 0.542271 O\n0.250654 0.413865 0.903394 O\n0.750654 0.586135 0.596606 O\n0.749346 0.586135 0.096606 O\n0.249346 0.413865 0.403394 O\n0.431017 0.409630 0.750878 O\n0.931017 0.590370 0.749122 O\n0.568983 0.590370 0.249122 O\n0.068983 0.409630 0.250878 O\n0.324850 0.029790 0.862832 O\n0.824850 0.970210 0.637168 O\n0.675150 0.970210 0.137168 O\n0.175150 0.029790 0.362832 O\n",
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"formula_full": "Rb4 Cu2 H24 Se4 O28",
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"spacegroup": 14
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{
"id": "mp-685290",
"created_at": "2022-09-04T14:45:29.417270Z",
"structure_string": "Sr10 Fe6 F38\n1.0\n8.855723 0.000000 0.000000\n-2.759168 -9.416676 0.000000\n-4.157153 0.010962 -9.887333\nSr Fe F\n10 6 38\ndirect\n0.949953 0.300703 0.870275 Sr\n0.391246 0.729743 0.927928 Sr\n0.330497 0.536606 0.530293 Sr\n0.189852 0.144991 0.330787 Sr\n0.360626 0.139648 0.724116 Sr\n0.480173 0.831658 0.305384 Sr\n0.845748 0.826185 0.679668 Sr\n0.681568 0.431591 0.460576 Sr\n0.640227 0.234736 0.134916 Sr\n0.921881 0.641453 0.162132 Sr\n0.228854 0.978428 0.013954 Fe\n0.134776 0.782889 0.496714 Fe\n0.782919 0.958800 0.942241 Fe\n0.299876 0.467882 0.167234 Fe\n0.659031 0.488305 0.839977 Fe\n0.901378 0.164687 0.495521 Fe\n0.931994 0.720728 0.536555 F\n0.186460 0.901175 0.835158 F\n0.067071 0.595347 0.419058 F\n0.256167 0.699654 0.673731 F\n0.219883 0.491987 0.967238 F\n0.033282 0.086723 0.663228 F\n0.293998 0.009383 0.211082 F\n0.216801 0.781139 0.063595 F\n0.089550 0.324429 0.135535 F\n0.349122 0.808742 0.469743 F\n0.345972 0.155911 0.949724 F\n0.218074 0.595085 0.244073 F\n0.415392 0.407845 0.740251 F\n0.539363 0.943971 0.844072 F\n0.619263 0.671626 0.770523 F\n0.189844 0.980932 0.536727 F\n0.753243 0.486642 0.701762 F\n0.459722 0.228777 0.541939 F\n0.589338 0.659801 0.487407 F\n0.367561 0.409277 0.361161 F\n0.753154 0.964294 0.476510 F\n0.419657 0.330468 0.171864 F\n0.488422 0.634579 0.179002 F\n0.657119 0.284287 0.871106 F\n0.485733 0.968868 0.094662 F\n0.715422 0.805058 0.054079 F\n0.676829 0.198829 0.385856 F\n0.921842 0.837774 0.932111 F\n0.898569 0.522853 0.959912 F\n0.793096 0.046747 0.775023 F\n0.031518 0.849654 0.309209 F\n0.619778 0.499114 0.001209 F\n0.776711 0.448537 0.268079 F\n0.906779 0.311366 0.614061 F\n0.063613 0.086107 0.998443 F\n0.806953 0.112636 0.044075 F\n0.894176 0.132948 0.315133 F\n0.132426 0.280302 0.503688 F\n",
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"density": 3.893383331624817,
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"volume": 824.5192751396482,
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"formula_full": "Sr10 Fe6 F38",
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{
"id": "mp-631428",
"created_at": "2022-09-04T14:45:30.122354Z",
"structure_string": "Tl1 Co1 W1\n1.0\n0.000000 3.088785 3.088785\n3.088785 0.000000 3.088785\n3.088785 3.088785 0.000000\nTl Co W\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 W\n",
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{
"id": "mp-1096475",
"created_at": "2022-09-04T14:45:30.133074Z",
"structure_string": "Ba2 Tl1 Pb1\n1.0\n-6.344516 7.375057 10.578048\n6.344516 -7.375057 10.578048\n6.344516 7.375057 -10.578048\nBa Tl Pb\n2 1 1\ndirect\n0.000000 0.254479 0.254479 Ba\n0.000000 0.745521 0.745521 Ba\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
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{
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"created_at": "2022-09-04T14:45:30.282708Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.924389 0.000000 0.000000\n-0.073514 5.124105 0.000000\n-1.219975 -0.889422 19.291666\nLi Mn Co O\n9 2 5 16\ndirect\n0.073110 0.699600 0.135082 Li\n0.676973 0.553499 0.368940 Li\n0.314218 0.435891 0.623517 Li\n0.938046 0.310393 0.875626 Li\n0.572761 0.198025 0.131779 Li\n0.182505 0.050399 0.369734 Li\n0.812670 0.944096 0.620830 Li\n0.436109 0.813814 0.875458 Li\n0.624926 0.875687 0.250618 Li\n0.001661 0.001039 0.001995 Mn\n0.875357 0.625395 0.750092 Mn\n0.249311 0.746905 0.497165 Co\n0.502012 0.502143 0.002514 Co\n0.124259 0.374965 0.250093 Co\n0.748242 0.248015 0.498073 Co\n0.374610 0.125149 0.749206 Co\n0.523821 0.864408 0.057893 O\n0.151642 0.669340 0.304410 O\n0.797443 0.601389 0.555944 O\n0.396402 0.490324 0.807032 O\n0.029178 0.323064 0.057277 O\n0.645157 0.232165 0.305190 O\n0.297957 0.096871 0.557281 O\n0.901995 0.949582 0.806798 O\n0.601987 0.520440 0.194031 O\n0.199494 0.393486 0.441708 O\n0.848410 0.304002 0.692868 O\n0.478021 0.139709 0.944956 O\n0.097119 0.078306 0.195922 O\n0.697066 0.896720 0.439386 O\n0.355043 0.757805 0.693791 O\n0.972496 0.677372 0.944790 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-778398",
"created_at": "2022-09-04T14:45:30.296388Z",
"structure_string": "Li8 Mn2 Fe6 B8 O24\n1.0\n5.237347 0.000000 0.000000\n0.010189 9.059541 0.000000\n0.156987 0.160273 10.413926\nLi Mn Fe B O\n8 2 6 8 24\ndirect\n0.150452 0.174271 0.667577 Li\n0.184989 0.163413 0.167755 Li\n0.321066 0.332873 0.416001 Li\n0.338587 0.326767 0.916059 Li\n0.650742 0.671519 0.666877 Li\n0.685134 0.660399 0.168587 Li\n0.817458 0.830866 0.416056 Li\n0.836638 0.824548 0.916091 Li\n0.330287 0.997692 0.882438 Mn\n0.677798 0.000266 0.135130 Mn\n0.182486 0.498545 0.132439 Fe\n0.155938 0.838930 0.632058 Fe\n0.322200 0.667084 0.382601 Fe\n0.655615 0.340571 0.633482 Fe\n0.838040 0.168229 0.386622 Fe\n0.835229 0.500138 0.884726 Fe\n0.170977 0.828604 0.125548 B\n0.161642 0.501163 0.625639 B\n0.335929 0.997683 0.377166 B\n0.326331 0.663983 0.874352 B\n0.674981 0.332982 0.127307 B\n0.662107 0.000939 0.624970 B\n0.833108 0.497410 0.376225 B\n0.828057 0.168442 0.874653 B\n0.095420 0.484628 0.346978 O\n0.090874 0.179641 0.860883 O\n0.176548 0.787111 0.843678 O\n0.196017 0.872831 0.416030 O\n0.214062 0.132362 0.363305 O\n0.210617 0.532984 0.916941 O\n0.277264 0.363549 0.612227 O\n0.287353 0.964658 0.096769 O\n0.303445 0.628159 0.596967 O\n0.318005 0.708294 0.165482 O\n0.410836 0.320711 0.114063 O\n0.406133 0.010512 0.662758 O\n0.596414 0.986624 0.349091 O\n0.589395 0.671636 0.861131 O\n0.675326 0.291048 0.844952 O\n0.694160 0.373289 0.416754 O\n0.713496 0.632541 0.362103 O\n0.717387 0.035625 0.916659 O\n0.793370 0.467184 0.096454 O\n0.777091 0.862769 0.612466 O\n0.804014 0.128220 0.597438 O\n0.819149 0.212706 0.167775 O\n0.909798 0.814869 0.111220 O\n0.907433 0.510139 0.665122 O\n",
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"formula_full": "Li8 Mn2 Fe6 B8 O24",
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{
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]
}