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{
"id": "mp-1212878",
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{
"id": "mp-1211967",
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"structure_string": "K4 Sr24 Sc4 Si16 O64\n1.0\n7.216294 0.000000 0.000000\n0.000000 11.324104 0.000000\n0.000000 0.000000 19.346620\nK Sr Sc Si O\n4 24 4 16 64\ndirect\n0.844285 0.750000 0.677568 K\n0.155715 0.250000 0.322432 K\n0.344285 0.250000 0.822432 K\n0.655715 0.750000 0.177568 K\n0.670076 0.498272 0.909030 Sr\n0.329924 0.501728 0.090970 Sr\n0.170076 0.501728 0.590970 Sr\n0.329924 0.998272 0.090970 Sr\n0.829924 0.498272 0.409030 Sr\n0.670076 0.001728 0.909030 Sr\n0.829924 0.001728 0.409030 Sr\n0.170076 0.998272 0.590970 Sr\n0.513650 0.526672 0.724468 Sr\n0.486350 0.473328 0.275532 Sr\n0.013650 0.473328 0.775532 Sr\n0.486350 0.026672 0.275532 Sr\n0.986350 0.526672 0.224468 Sr\n0.513650 0.973328 0.724468 Sr\n0.986350 0.973328 0.224468 Sr\n0.013650 0.026672 0.775532 Sr\n0.499262 0.750000 0.520927 Sr\n0.500738 0.250000 0.479073 Sr\n0.999262 0.250000 0.979073 Sr\n0.000738 0.750000 0.020927 Sr\n0.275766 0.750000 0.842463 Sr\n0.724234 0.250000 0.157537 Sr\n0.775766 0.250000 0.657537 Sr\n0.224234 0.750000 0.342463 Sr\n0.016882 0.750000 0.501796 Sc\n0.983118 0.250000 0.498204 Sc\n0.516882 0.250000 0.998204 Sc\n0.483118 0.750000 0.001796 Sc\n0.775782 0.750000 0.846770 Si\n0.224218 0.250000 0.153230 Si\n0.275782 0.250000 0.653230 Si\n0.724218 0.750000 0.346770 Si\n0.729502 0.503009 0.576265 Si\n0.270498 0.496991 0.423735 Si\n0.229502 0.496991 0.923735 Si\n0.270498 0.003009 0.423735 Si\n0.770498 0.503009 0.076265 Si\n0.729502 0.996991 0.576265 Si\n0.770498 0.996991 0.076265 Si\n0.229502 0.003009 0.923735 Si\n0.267556 0.750000 0.673530 Si\n0.732444 0.250000 0.326470 Si\n0.767556 0.250000 0.826470 Si\n0.232444 0.750000 0.173530 Si\n0.008025 0.750000 0.178010 O\n0.991975 0.250000 0.821990 O\n0.508025 0.250000 0.321990 O\n0.491975 0.750000 0.678010 O\n0.185442 0.750000 0.592526 O\n0.814558 0.250000 0.407474 O\n0.685442 0.250000 0.907474 O\n0.314558 0.750000 0.092526 O\n0.968954 0.750000 0.890255 O\n0.031046 0.250000 0.109745 O\n0.468954 0.250000 0.609745 O\n0.531046 0.750000 0.390255 O\n0.597478 0.750000 0.903837 O\n0.402522 0.250000 0.096163 O\n0.097478 0.250000 0.596163 O\n0.902522 0.750000 0.403837 O\n0.785242 0.117649 0.530975 O\n0.214758 0.882351 0.469025 O\n0.285242 0.882351 0.969025 O\n0.214758 0.617649 0.469025 O\n0.714758 0.117649 0.030975 O\n0.785242 0.382351 0.530975 O\n0.714758 0.382351 0.030975 O\n0.285242 0.617649 0.969025 O\n0.510323 0.534075 0.583477 O\n0.489677 0.465925 0.416523 O\n0.010323 0.465925 0.916523 O\n0.489677 0.034075 0.416523 O\n0.989677 0.534075 0.083477 O\n0.510323 0.965925 0.583477 O\n0.989677 0.965925 0.083477 O\n0.010323 0.034075 0.916523 O\n0.825121 0.017075 0.653039 O\n0.174879 0.982925 0.346961 O\n0.325121 0.982925 0.846961 O\n0.174879 0.517075 0.346961 O\n0.674879 0.017075 0.153039 O\n0.825121 0.482925 0.653039 O\n0.674879 0.482925 0.153039 O\n0.325121 0.517075 0.846961 O\n0.688950 0.130633 0.788148 O\n0.311050 0.869367 0.211852 O\n0.188950 0.869367 0.711852 O\n0.311050 0.630633 0.211852 O\n0.811050 0.130633 0.288148 O\n0.688950 0.369367 0.788148 O\n0.811050 0.369367 0.288148 O\n0.188950 0.630633 0.711852 O\n0.752672 0.627390 0.802111 O\n0.247328 0.372610 0.197889 O\n0.252672 0.372610 0.697889 O\n0.247328 0.127390 0.197889 O\n0.747328 0.627390 0.302111 O\n0.752672 0.872610 0.802111 O\n0.747328 0.872610 0.302111 O\n0.252672 0.127390 0.697889 O\n0.835571 0.614887 0.535037 O\n0.164429 0.385113 0.464963 O\n0.335571 0.385113 0.964963 O\n0.164429 0.114887 0.464963 O\n0.664429 0.614887 0.035037 O\n0.835571 0.885113 0.535037 O\n0.664429 0.885113 0.035037 O\n0.335571 0.114887 0.964963 O\n",
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"formula_full": "K4 Sr24 Sc4 Si16 O64",
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"updated_at": "2021-11-28T01:35:17.892000Z",
"spacegroup": 62
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{
"id": "mp-1110928",
"created_at": "2022-09-04T14:41:06.518946Z",
"structure_string": "K3 Bi1 Br6\n1.0\n0.000000 5.991688 5.991688\n5.991688 0.000000 5.991688\n5.991688 5.991688 0.000000\nK Bi Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.761286 0.238714 0.238714 Br\n0.238714 0.238714 0.761286 Br\n0.238714 0.761286 0.761286 Br\n0.238714 0.761286 0.238714 Br\n0.761286 0.238714 0.761286 Br\n0.761286 0.761286 0.238714 Br\n",
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{
"id": "mp-1195458",
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"structure_string": "Y4 B12 H96 N16\n1.0\n7.341141 0.000000 0.000000\n0.000000 11.799305 0.000000\n0.000000 0.000000 12.620415\nY B H N\n4 12 96 16\ndirect\n0.515878 0.250000 0.155780 Y\n0.484122 0.750000 0.844220 Y\n0.015878 0.750000 0.344220 Y\n0.984122 0.250000 0.655780 Y\n0.997855 0.750000 0.116267 B\n0.002145 0.250000 0.883733 B\n0.497855 0.250000 0.383733 B\n0.502145 0.750000 0.616267 B\n0.154293 0.975876 0.341129 B\n0.845707 0.475876 0.658871 B\n0.654293 0.475876 0.158871 B\n0.345707 0.975876 0.841129 B\n0.654293 0.024124 0.158871 B\n0.345707 0.524124 0.841129 B\n0.154293 0.524124 0.341129 B\n0.845707 0.024124 0.658871 B\n0.902214 0.178643 0.192509 H\n0.097786 0.678643 0.807491 H\n0.402214 0.678643 0.307491 H\n0.597786 0.178643 0.692509 H\n0.902214 0.321357 0.192509 H\n0.097786 0.821357 0.807491 H\n0.402214 0.821357 0.307491 H\n0.597786 0.321357 0.692509 H\n0.907542 0.250000 0.079744 H\n0.092458 0.750000 0.920256 H\n0.407542 0.750000 0.420256 H\n0.592458 0.250000 0.579744 H\n0.533223 0.819676 0.075604 H\n0.466777 0.319676 0.924396 H\n0.033223 0.319676 0.424396 H\n0.966777 0.819676 0.575604 H\n0.340431 0.750000 0.069448 H\n0.659569 0.250000 0.930552 H\n0.840431 0.250000 0.430552 H\n0.159569 0.750000 0.569448 H\n0.533223 0.680324 0.075604 H\n0.466777 0.180324 0.924396 H\n0.033223 0.180324 0.424396 H\n0.966777 0.680324 0.575604 H\n0.323861 0.040895 0.084630 H\n0.676139 0.540895 0.915370 H\n0.823861 0.540895 0.415370 H\n0.176139 0.040895 0.584630 H\n0.164058 0.132832 0.058012 H\n0.835942 0.632832 0.941988 H\n0.664058 0.632832 0.441988 H\n0.335942 0.132832 0.558012 H\n0.191743 0.082763 0.179587 H\n0.808257 0.582763 0.820413 H\n0.691743 0.582763 0.320413 H\n0.308257 0.082763 0.679587 H\n0.676139 0.959105 0.915370 H\n0.323861 0.459105 0.084630 H\n0.176139 0.459105 0.584630 H\n0.823861 0.959105 0.415370 H\n0.835942 0.867168 0.941988 H\n0.164058 0.367168 0.058012 H\n0.335942 0.367168 0.558012 H\n0.664058 0.867168 0.441988 H\n0.808257 0.917237 0.820413 H\n0.191743 0.417237 0.179587 H\n0.308257 0.417237 0.679587 H\n0.691743 0.917237 0.320413 H\n0.139337 0.750000 0.169770 H\n0.860663 0.250000 0.830230 H\n0.639337 0.250000 0.330230 H\n0.360663 0.750000 0.669770 H\n0.996476 0.663196 0.063679 H\n0.003524 0.163196 0.936321 H\n0.496476 0.163196 0.436321 H\n0.503524 0.663196 0.563679 H\n0.863408 0.750000 0.176314 H\n0.136592 0.250000 0.823686 H\n0.363408 0.250000 0.323686 H\n0.636592 0.750000 0.676314 H\n0.996476 0.836804 0.063679 H\n0.003524 0.336804 0.936321 H\n0.496476 0.336804 0.436321 H\n0.503524 0.836804 0.563679 H\n0.101304 0.918441 0.265112 H\n0.898696 0.418441 0.734888 H\n0.601304 0.418441 0.234888 H\n0.398696 0.918441 0.765112 H\n0.131778 0.922827 0.424405 H\n0.868222 0.422827 0.575595 H\n0.631778 0.422827 0.075595 H\n0.368222 0.922827 0.924405 H\n0.314817 0.998365 0.330759 H\n0.685183 0.498365 0.669241 H\n0.814817 0.498365 0.169241 H\n0.185183 0.998365 0.830759 H\n0.057924 0.060729 0.341545 H\n0.942076 0.560729 0.658455 H\n0.557924 0.560729 0.158455 H\n0.442076 0.060729 0.841545 H\n0.601304 0.081559 0.234888 H\n0.398696 0.581559 0.765112 H\n0.101304 0.581559 0.265112 H\n0.898696 0.081559 0.734888 H\n0.631778 0.077173 0.075595 H\n0.368222 0.577173 0.924405 H\n0.131778 0.577173 0.424405 H\n0.868222 0.077173 0.575595 H\n0.814817 0.001635 0.169241 H\n0.185183 0.501635 0.830759 H\n0.314817 0.501635 0.330759 H\n0.685183 0.001635 0.669241 H\n0.557924 0.939271 0.158455 H\n0.442076 0.439271 0.841545 H\n0.057924 0.439271 0.341545 H\n0.942076 0.939271 0.658455 H\n0.854797 0.250000 0.155151 N\n0.145203 0.750000 0.844849 N\n0.354797 0.750000 0.344849 N\n0.645203 0.250000 0.655151 N\n0.472130 0.750000 0.041618 N\n0.527870 0.250000 0.958382 N\n0.972130 0.250000 0.458382 N\n0.027870 0.750000 0.541618 N\n0.260304 0.111483 0.113833 N\n0.739696 0.611483 0.886167 N\n0.760304 0.611483 0.386167 N\n0.239696 0.111483 0.613833 N\n0.739696 0.888517 0.886167 N\n0.260304 0.388517 0.113833 N\n0.239696 0.388517 0.613833 N\n0.760304 0.888517 0.386167 N\n",
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{
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"structure_string": "Tb4 C4 O16\n1.0\n4.894011 0.000000 0.000000\n0.000000 7.169416 0.000000\n0.000000 0.000000 8.778244\nTb C O\n4 4 16\ndirect\n0.028003 0.878144 0.340031 Tb\n0.471997 0.121856 0.840031 Tb\n0.971997 0.378144 0.159969 Tb\n0.528003 0.621856 0.659969 Tb\n0.007184 0.951542 0.675063 C\n0.492816 0.048458 0.175063 C\n0.992816 0.451542 0.824937 C\n0.507184 0.548458 0.324937 C\n0.963747 0.692001 0.140065 O\n0.536253 0.307999 0.640065 O\n0.036253 0.192001 0.359935 O\n0.463747 0.807999 0.859935 O\n0.541788 0.950522 0.293511 O\n0.958212 0.049478 0.793511 O\n0.458212 0.450522 0.206489 O\n0.041788 0.549478 0.706489 O\n0.762695 0.575984 0.365736 O\n0.737305 0.424016 0.865736 O\n0.237305 0.075984 0.134264 O\n0.262695 0.924016 0.634264 O\n0.318599 0.617008 0.412099 O\n0.181401 0.382992 0.912099 O\n0.681401 0.117008 0.087901 O\n0.818599 0.882992 0.587901 O\n",
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{
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"structure_string": "Na12 Mg2 O8\n1.0\n3.831823 -6.636912 0.000000\n3.831823 6.636912 0.000000\n0.000000 0.000000 5.925682\nNa Mg O\n12 2 8\ndirect\n0.140688 0.859312 0.387040 Na\n0.074707 0.537354 0.711548 Na\n0.140688 0.281375 0.387040 Na\n0.462646 0.925293 0.711548 Na\n0.462646 0.537354 0.711548 Na\n0.281375 0.140688 0.887040 Na\n0.718625 0.859312 0.387040 Na\n0.537354 0.462646 0.211548 Na\n0.537354 0.074707 0.211548 Na\n0.859312 0.718625 0.887040 Na\n0.925293 0.462646 0.211548 Na\n0.859312 0.140688 0.887040 Na\n0.333333 0.666667 0.108387 Mg\n0.666667 0.333333 0.608387 Mg\n0.190349 0.809651 0.998073 O\n0.333333 0.666667 0.442380 O\n0.190349 0.380697 0.998073 O\n0.619303 0.809651 0.998073 O\n0.380697 0.190349 0.498073 O\n0.666667 0.333333 0.942380 O\n0.809651 0.619303 0.498073 O\n0.809651 0.190349 0.498073 O\n",
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