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{
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"structure_string": "Y12 Si8 Cl4 O32\n1.0\n6.245471 0.000000 0.000000\n0.000000 6.916911 0.000000\n0.000000 0.000000 17.920191\nY Si Cl O\n12 8 4 32\ndirect\n0.872415 0.985486 0.909764 Y\n0.127585 0.014514 0.409764 Y\n0.627585 0.485486 0.590236 Y\n0.884941 0.293712 0.250000 Y\n0.127585 0.014514 0.090236 Y\n0.627585 0.485486 0.909764 Y\n0.372415 0.514514 0.090236 Y\n0.372415 0.514514 0.409764 Y\n0.384941 0.206288 0.750000 Y\n0.115059 0.706288 0.750000 Y\n0.615059 0.793712 0.250000 Y\n0.872415 0.985486 0.590236 Y\n0.621277 0.023789 0.099832 Si\n0.121277 0.476211 0.900168 Si\n0.378723 0.976211 0.900168 Si\n0.621277 0.023789 0.400168 Si\n0.878723 0.523789 0.400168 Si\n0.378723 0.976211 0.599832 Si\n0.121277 0.476211 0.599832 Si\n0.878723 0.523789 0.099832 Si\n0.736420 0.457801 0.750000 Cl\n0.763580 0.957801 0.750000 Cl\n0.236420 0.042199 0.250000 Cl\n0.263580 0.542199 0.250000 Cl\n0.531574 0.167197 0.618058 O\n0.054556 0.696992 0.094940 O\n0.290203 0.487816 0.969317 O\n0.054556 0.696992 0.405060 O\n0.274851 0.465878 0.676145 O\n0.945444 0.303008 0.905060 O\n0.554556 0.803008 0.594940 O\n0.774851 0.034122 0.176145 O\n0.709797 0.512184 0.030683 O\n0.468426 0.832803 0.118058 O\n0.225149 0.965878 0.823855 O\n0.031574 0.332803 0.381942 O\n0.790203 0.012184 0.030683 O\n0.774851 0.034122 0.323855 O\n0.968426 0.667197 0.881942 O\n0.709797 0.512184 0.469317 O\n0.290203 0.487816 0.530683 O\n0.468426 0.832803 0.381942 O\n0.725149 0.534122 0.176145 O\n0.209797 0.987816 0.530683 O\n0.274851 0.465878 0.823855 O\n0.725149 0.534122 0.323855 O\n0.790203 0.012184 0.469317 O\n0.225149 0.965878 0.676145 O\n0.445444 0.196992 0.094940 O\n0.445444 0.196992 0.405060 O\n0.209797 0.987816 0.969317 O\n0.554556 0.803008 0.905060 O\n0.945444 0.303008 0.594940 O\n0.031574 0.332803 0.118058 O\n0.968426 0.667197 0.618058 O\n0.531574 0.167197 0.881942 O\n",
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"spacegroup": 62
},
{
"id": "mp-1216074",
"created_at": "2022-09-04T14:46:17.093149Z",
"structure_string": "Y3 Si3 Ni1\n1.0\n-1.954239 2.072078 8.714932\n1.954239 -2.072078 8.714932\n1.954239 2.072078 -8.714932\nY Si Ni\n3 3 1\ndirect\n0.818095 0.318095 0.500000 Y\n0.184407 0.684407 0.500000 Y\n0.999218 0.999218 0.000000 Y\n0.644154 0.144154 0.500000 Si\n0.361726 0.861726 0.500000 Si\n0.559506 0.559506 0.000000 Si\n0.432895 0.432895 0.000000 Ni\n",
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},
{
"id": "mp-14630",
"created_at": "2022-09-04T14:39:10.331598Z",
"structure_string": "Y12 Si12 O40 F4\n1.0\n11.296273 0.000000 0.000000\n0.000000 7.404239 0.000000\n0.000000 6.078885 10.415631\nY Si O F\n12 12 40 4\ndirect\n0.469251 0.744092 0.018312 Y\n0.969251 0.255908 0.481688 Y\n0.530749 0.255908 0.981688 Y\n0.030749 0.744092 0.518312 Y\n0.229981 0.594928 0.311075 Y\n0.729981 0.405072 0.188925 Y\n0.770019 0.405072 0.688925 Y\n0.270019 0.594928 0.811075 Y\n0.098223 0.805083 0.996981 Y\n0.598223 0.194917 0.503019 Y\n0.901777 0.194917 0.003019 Y\n0.401777 0.805083 0.496981 Y\n0.462347 0.285906 0.708573 Si\n0.755100 0.876174 0.889108 Si\n0.744900 0.876174 0.389108 Si\n0.244900 0.123826 0.110892 Si\n0.414224 0.284390 0.240363 Si\n0.914224 0.715610 0.259637 Si\n0.585776 0.715610 0.759637 Si\n0.085776 0.284390 0.740363 Si\n0.037653 0.285906 0.208573 Si\n0.537653 0.714094 0.291427 Si\n0.255100 0.123826 0.610892 Si\n0.962347 0.714094 0.791427 Si\n0.088736 0.658101 0.869630 O\n0.588736 0.341899 0.630370 O\n0.911264 0.341899 0.130370 O\n0.411264 0.658101 0.369630 O\n0.477571 0.105111 0.861382 O\n0.977571 0.894889 0.638618 O\n0.522429 0.894889 0.138618 O\n0.022429 0.105111 0.361382 O\n0.104058 0.494678 0.191936 O\n0.604058 0.505322 0.308064 O\n0.895942 0.505322 0.808064 O\n0.395942 0.494678 0.691936 O\n0.390444 0.198942 0.622843 O\n0.890444 0.801058 0.877157 O\n0.609556 0.801058 0.377157 O\n0.109556 0.198942 0.122843 O\n0.357002 0.512090 0.197413 O\n0.273539 0.897489 0.621246 O\n0.726461 0.102511 0.378754 O\n0.226461 0.897489 0.121246 O\n0.181485 0.286917 0.482695 O\n0.681485 0.713083 0.017305 O\n0.818515 0.713083 0.517305 O\n0.318515 0.286917 0.982695 O\n0.177343 0.115531 0.730563 O\n0.677343 0.884469 0.769437 O\n0.822657 0.884469 0.269437 O\n0.322657 0.115531 0.230563 O\n0.024489 0.649802 0.362881 O\n0.524489 0.350198 0.137119 O\n0.975511 0.350198 0.637119 O\n0.475511 0.649802 0.862881 O\n0.049488 0.148666 0.891231 O\n0.549488 0.851334 0.608769 O\n0.950512 0.851334 0.108769 O\n0.450512 0.148666 0.391231 O\n0.142998 0.512090 0.697413 O\n0.642998 0.487910 0.802587 O\n0.857002 0.487910 0.302587 O\n0.773539 0.102511 0.878754 O\n0.714992 0.244428 0.059309 F\n0.214992 0.755572 0.440691 F\n0.785008 0.244428 0.559309 F\n0.285008 0.755572 0.940691 F\n",
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"F"
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"formula_full": "Y12 Si12 O40 F4",
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{
"id": "mp-727913",
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"structure_string": "Y12 Si12 O44\n1.0\n11.400642 0.000000 0.000000\n0.000000 7.431445 0.000000\n0.000000 6.139621 10.374077\nY Si O\n12 12 44\ndirect\n0.270588 0.595658 0.815789 Y\n0.770588 0.404342 0.684211 Y\n0.729412 0.404342 0.184211 Y\n0.229412 0.595658 0.315789 Y\n0.968410 0.251535 0.484885 Y\n0.468410 0.748465 0.015115 Y\n0.031590 0.748465 0.515115 Y\n0.531590 0.251535 0.984885 Y\n0.100418 0.804606 0.996454 Y\n0.600418 0.195394 0.503546 Y\n0.899582 0.195394 0.003546 Y\n0.399582 0.804606 0.496454 Y\n0.255780 0.122109 0.612513 Si\n0.755780 0.877891 0.887487 Si\n0.744220 0.877891 0.387487 Si\n0.244220 0.122109 0.112513 Si\n0.460178 0.287651 0.708608 Si\n0.960178 0.712349 0.791392 Si\n0.539822 0.712349 0.291392 Si\n0.039822 0.287651 0.208608 Si\n0.413701 0.283437 0.239901 Si\n0.913701 0.716563 0.260099 Si\n0.586299 0.716563 0.760099 Si\n0.086299 0.283437 0.739901 Si\n0.182297 0.284311 0.484091 O\n0.682297 0.715689 0.015909 O\n0.817703 0.715689 0.515909 O\n0.317703 0.284311 0.984091 O\n0.275382 0.896012 0.625150 O\n0.775382 0.103988 0.874850 O\n0.724618 0.103988 0.374850 O\n0.224618 0.896012 0.125150 O\n0.476406 0.105145 0.861506 O\n0.976406 0.894855 0.638494 O\n0.523594 0.894855 0.138494 O\n0.023594 0.105145 0.361506 O\n0.388735 0.199422 0.624480 O\n0.888735 0.800578 0.875520 O\n0.611265 0.800578 0.375520 O\n0.111265 0.199422 0.124480 O\n0.176806 0.112562 0.732233 O\n0.676806 0.887438 0.767767 O\n0.823194 0.887438 0.267767 O\n0.323194 0.112562 0.232233 O\n0.085858 0.655134 0.868935 O\n0.585858 0.344866 0.631065 O\n0.914142 0.344866 0.131065 O\n0.414142 0.655134 0.368935 O\n0.477485 0.649307 0.862797 O\n0.977485 0.350693 0.637203 O\n0.522515 0.350693 0.137203 O\n0.022515 0.649307 0.362797 O\n0.104913 0.494991 0.193191 O\n0.604913 0.505009 0.306809 O\n0.895087 0.505009 0.806809 O\n0.395087 0.494991 0.693191 O\n0.355012 0.512202 0.195557 O\n0.855012 0.487798 0.304443 O\n0.644988 0.487798 0.804443 O\n0.144988 0.512202 0.695557 O\n0.450019 0.150254 0.391219 O\n0.950019 0.849746 0.108781 O\n0.549981 0.849746 0.608781 O\n0.049981 0.150254 0.891219 O\n0.284946 0.743020 0.950788 O\n0.784946 0.256980 0.549212 O\n0.715054 0.256980 0.049212 O\n0.215054 0.743020 0.450788 O\n",
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{
"id": "mp-17532",
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"structure_string": "Y6 Si24 Os8\n1.0\n4.087390 -9.289036 0.000000\n4.087390 9.289036 0.000000\n0.000000 0.000000 8.178662\nY Si Os\n6 24 8\ndirect\n0.501548 0.001548 0.750000 Y\n0.998452 0.498452 0.250000 Y\n0.498452 0.998452 0.250000 Y\n0.001548 0.501548 0.750000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.795122 0.204878 0.500000 Si\n0.704878 0.295122 0.000000 Si\n0.204878 0.795122 0.500000 Si\n0.295122 0.704878 0.000000 Si\n0.667322 0.667322 0.166966 Si\n0.167322 0.167322 0.333034 Si\n0.832678 0.832678 0.666966 Si\n0.332678 0.332678 0.833034 Si\n0.845120 0.610664 0.994948 Si\n0.110664 0.345120 0.505052 Si\n0.654880 0.889336 0.494948 Si\n0.389336 0.154880 0.005052 Si\n0.154880 0.389336 0.005052 Si\n0.889336 0.654880 0.494948 Si\n0.120743 0.886397 0.727826 Si\n0.386397 0.620743 0.772174 Si\n0.379257 0.613603 0.227826 Si\n0.113603 0.879257 0.272174 Si\n0.879257 0.113603 0.272174 Si\n0.613603 0.379257 0.227826 Si\n0.620743 0.386397 0.772174 Si\n0.886397 0.120743 0.727826 Si\n0.610664 0.845120 0.994948 Si\n0.345120 0.110664 0.505052 Si\n0.627144 0.627144 0.872615 Os\n0.127144 0.127144 0.627385 Os\n0.372856 0.372856 0.127385 Os\n0.872856 0.872856 0.372615 Os\n0.168925 0.831075 0.000000 Os\n0.331075 0.668925 0.500000 Os\n0.831075 0.168925 0.000000 Os\n0.668925 0.331075 0.500000 Os\n",
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{
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{
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{
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