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{
"id": "mp-1220843",
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"structure_string": "Na8 Al6 Si6 Br1 Cl1 O24\n1.0\n8.988991 0.000000 0.000000\n0.000000 8.988991 0.000000\n0.000000 0.000000 8.988991\nNa Al Si Br Cl O\n8 6 6 1 1 24\ndirect\n0.318911 0.681089 0.318911 Na\n0.681089 0.318911 0.318911 Na\n0.318911 0.318911 0.681089 Na\n0.681089 0.681089 0.681089 Na\n0.817254 0.817254 0.182746 Na\n0.182746 0.817254 0.817254 Na\n0.817254 0.182746 0.817254 Na\n0.182746 0.182746 0.182746 Na\n0.500000 0.000000 0.249991 Al\n0.000000 0.750009 0.500000 Al\n0.249991 0.500000 0.000000 Al\n0.000000 0.249991 0.500000 Al\n0.750009 0.500000 0.000000 Al\n0.500000 0.000000 0.750009 Al\n0.000000 0.500000 0.250014 Si\n0.500000 0.749986 0.000000 Si\n0.250014 0.000000 0.500000 Si\n0.500000 0.250014 0.000000 Si\n0.749986 0.000000 0.500000 Si\n0.000000 0.500000 0.749986 Si\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Cl\n0.350016 0.939806 0.359849 O\n0.060194 0.640151 0.350016 O\n0.359849 0.649984 0.060194 O\n0.649984 0.060194 0.359849 O\n0.939806 0.359849 0.350016 O\n0.640151 0.350016 0.060194 O\n0.350016 0.060194 0.640151 O\n0.060194 0.359849 0.649984 O\n0.359849 0.350016 0.939806 O\n0.649984 0.939806 0.640151 O\n0.939806 0.640151 0.649984 O\n0.640151 0.649984 0.939806 O\n0.849980 0.859805 0.439873 O\n0.560127 0.849980 0.140195 O\n0.859805 0.560127 0.150020 O\n0.150020 0.859805 0.560127 O\n0.439873 0.849980 0.859805 O\n0.140195 0.560127 0.849980 O\n0.849980 0.140195 0.560127 O\n0.560127 0.150020 0.859805 O\n0.859805 0.439873 0.849980 O\n0.150020 0.140195 0.439873 O\n0.439873 0.150020 0.140195 O\n0.140195 0.439873 0.150020 O\n",
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{
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"structure_string": "Na8 Al6 Si6 C2 N2 O26\n1.0\n6.361148 -6.362367 0.000000\n6.361148 6.362367 0.000000\n0.000000 0.000000 9.188489\nNa Al Si C N O\n8 6 6 2 2 26\ndirect\n0.808524 0.691386 0.197251 Na\n0.191476 0.308614 0.197251 Na\n0.311081 0.810969 0.303619 Na\n0.688919 0.189031 0.303619 Na\n0.691386 0.808524 0.697251 Na\n0.308614 0.191476 0.697251 Na\n0.189031 0.688919 0.803619 Na\n0.810969 0.311081 0.803619 Na\n0.750856 0.000178 0.000216 Al\n0.500000 0.500000 0.249865 Al\n0.999822 0.249144 0.500216 Al\n0.000178 0.750856 0.500216 Al\n0.500000 0.500000 0.749865 Al\n0.249144 0.999822 0.000216 Al\n0.499857 0.748580 0.999860 Si\n0.000000 0.000000 0.250057 Si\n0.251420 0.500143 0.499860 Si\n0.748580 0.499857 0.499860 Si\n0.000000 0.000000 0.750057 Si\n0.500143 0.251420 0.999860 Si\n0.000000 0.500000 0.999994 C\n0.500000 0.000000 0.499994 C\n0.500000 0.000000 0.369356 N\n0.000000 0.500000 0.869356 N\n0.355528 0.845363 0.052204 O\n0.644472 0.154637 0.052204 O\n0.555505 0.649948 0.139986 O\n0.444495 0.350052 0.139986 O\n0.000000 0.500000 0.134077 O\n0.859550 0.944295 0.150242 O\n0.140450 0.055705 0.150242 O\n0.055022 0.858956 0.349236 O\n0.944978 0.141044 0.349236 O\n0.349512 0.554777 0.358953 O\n0.650488 0.445223 0.358953 O\n0.846799 0.643229 0.446757 O\n0.153201 0.356771 0.446757 O\n0.154637 0.644472 0.552204 O\n0.845363 0.355528 0.552204 O\n0.649948 0.555505 0.639986 O\n0.350052 0.444495 0.639986 O\n0.500000 0.000000 0.634077 O\n0.944295 0.859550 0.650242 O\n0.055705 0.140450 0.650242 O\n0.858956 0.055022 0.849236 O\n0.141044 0.944978 0.849236 O\n0.445223 0.650488 0.858953 O\n0.554777 0.349512 0.858953 O\n0.643229 0.846799 0.946757 O\n0.356771 0.153201 0.946757 O\n",
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"formula_full": "Na8 Al6 Si6 C2 N2 O26",
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"updated_at": "2021-11-28T01:34:59.678000Z",
"spacegroup": 37
},
{
"id": "mp-1251466",
"created_at": "2022-09-04T14:47:45.822784Z",
"structure_string": "Na7 Al12 Si12 H6 Cl1 O48\n1.0\n9.363839 -0.012842 -0.064108\n-0.011919 9.184603 -0.258964\n-0.122196 -0.517776 18.339435\nNa Al Si H Cl O\n7 12 12 6 1 48\ndirect\n0.286867 0.775798 0.115295 Na\n0.271068 0.216338 0.884514 Na\n0.221287 0.826530 0.592076 Na\n0.715847 0.225863 0.879748 Na\n0.816337 0.092737 0.444843 Na\n0.751394 0.808912 0.120228 Na\n0.771364 0.821124 0.607377 Na\n0.011022 0.767833 0.253705 Al\n0.014432 0.762092 0.753947 Al\n0.029471 0.238693 0.246536 Al\n0.025984 0.232928 0.740448 Al\n0.266015 0.503208 0.004547 Al\n0.262330 0.516520 0.504377 Al\n0.515501 0.964291 0.369695 Al\n0.514172 0.965759 0.874827 Al\n0.511738 0.032965 0.127390 Al\n0.515236 0.028601 0.625273 Al\n0.762119 0.494812 0.997778 Al\n0.748400 0.481813 0.499817 Al\n0.265482 0.994614 0.245193 Si\n0.268396 0.990135 0.744523 Si\n0.527628 0.747206 0.003549 Si\n0.515166 0.749386 0.501082 Si\n0.504879 0.250756 0.000180 Si\n0.508437 0.258193 0.497561 Si\n0.760398 0.015698 0.259000 Si\n0.763365 0.007205 0.753395 Si\n0.014573 0.531889 0.378475 Si\n0.018453 0.474710 0.120060 Si\n0.017636 0.468293 0.617892 Si\n0.015798 0.530086 0.879295 Si\n0.363135 0.159452 0.407953 H\n0.815251 0.654942 0.415634 H\n0.873210 0.346129 0.324250 H\n0.865459 0.582902 0.198389 H\n0.865876 0.581245 0.697257 H\n0.900875 0.356648 0.819917 H\n0.970295 0.902351 0.514734 Cl\n0.973257 0.379067 0.324382 O\n0.956876 0.619701 0.181893 O\n0.000209 0.385052 0.812284 O\n0.963281 0.605372 0.683718 O\n0.157925 0.541721 0.083661 O\n0.160074 0.534701 0.585071 O\n0.136186 0.488226 0.432547 O\n0.155719 0.492249 0.925543 O\n0.171967 0.136601 0.273069 O\n0.160177 0.852253 0.222939 O\n0.172551 0.136370 0.768075 O\n0.163928 0.848526 0.723021 O\n0.373304 0.951993 0.310296 O\n0.346171 0.019570 0.169346 O\n0.366669 0.966328 0.815588 O\n0.352188 0.016157 0.669265 O\n0.380635 0.371978 0.496537 O\n0.384156 0.648781 0.012970 O\n0.350839 0.334769 0.997722 O\n0.354430 0.681297 0.502833 O\n0.535099 0.185552 0.078404 O\n0.530243 0.177761 0.571237 O\n0.548958 0.820189 0.423705 O\n0.530847 0.812040 0.923950 O\n0.454176 0.128661 0.428803 O\n0.493513 0.128287 0.930895 O\n0.521440 0.871264 0.071339 O\n0.530667 0.871081 0.568025 O\n0.638439 0.355368 0.978222 O\n0.664291 0.317729 0.469857 O\n0.641236 0.630112 0.517663 O\n0.676598 0.659196 0.021648 O\n0.652400 0.007739 0.189709 O\n0.680510 0.024670 0.338340 O\n0.666559 0.019565 0.680607 O\n0.672085 0.001884 0.827531 O\n0.865131 0.157069 0.258100 O\n0.863531 0.155903 0.765730 O\n0.852681 0.863028 0.250295 O\n0.860390 0.860587 0.738491 O\n0.880108 0.452682 0.068873 O\n0.850302 0.554949 0.419856 O\n0.863772 0.501453 0.917032 O\n0.880263 0.457892 0.563973 O\n0.049467 0.344500 0.172798 O\n0.036938 0.321836 0.660514 O\n0.032811 0.668421 0.330606 O\n0.026605 0.675416 0.834979 O\n",
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"formula_full": "Na7 Al12 Si12 H6 Cl1 O48",
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{
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"structure_string": "Na7 Al12 Si12 H6 Cl1 O48\n1.0\n9.228429 0.000000 0.000000\n0.003880 9.382949 0.000000\n0.879838 0.044491 18.481528\nNa Al Si H Cl O\n7 12 12 6 1 48\ndirect\n0.729638 0.299238 0.863306 Na\n0.264632 0.297798 0.133895 Na\n0.732383 0.269082 0.362337 Na\n0.190124 0.754485 0.092111 Na\n0.101415 0.788970 0.580931 Na\n0.811303 0.758624 0.910323 Na\n0.891941 0.790000 0.410450 Na\n0.767682 0.012030 0.737766 Al\n0.761762 0.007131 0.231621 Al\n0.236350 0.006411 0.762009 Al\n0.230668 0.013008 0.262957 Al\n0.498481 0.265640 0.998749 Al\n0.506001 0.260104 0.493645 Al\n0.968944 0.500703 0.632428 Al\n0.979122 0.506778 0.123565 Al\n0.017289 0.505031 0.875864 Al\n0.005738 0.508881 0.372047 Al\n0.497275 0.754424 0.999378 Al\n0.490695 0.743765 0.490720 Al\n0.998901 0.262174 0.753892 Si\n0.992725 0.266323 0.249246 Si\n0.748135 0.507702 0.003995 Si\n0.748108 0.501585 0.499631 Si\n0.248146 0.505992 0.994632 Si\n0.253043 0.507045 0.492790 Si\n0.000639 0.756225 0.751128 Si\n0.001927 0.758529 0.245554 Si\n0.516137 0.007608 0.619792 Si\n0.489026 0.007396 0.880040 Si\n0.484644 0.010112 0.376902 Si\n0.507574 0.008524 0.116941 Si\n0.204069 0.446981 0.608316 H\n0.579044 0.776884 0.601065 H\n0.310213 0.902518 0.663839 H\n0.694925 0.927152 0.839477 H\n0.702058 0.932110 0.339484 H\n0.304907 0.927400 0.163638 H\n0.987493 0.969997 0.497833 Cl\n0.358096 0.994233 0.673031 O\n0.645852 0.012021 0.822039 O\n0.355947 0.014160 0.178175 O\n0.639931 0.003236 0.317730 O\n0.493767 0.157734 0.920723 O\n0.497885 0.166688 0.411076 O\n0.501216 0.132614 0.564142 O\n0.502847 0.160299 0.077574 O\n0.137158 0.158288 0.763028 O\n0.847118 0.174259 0.745321 O\n0.139578 0.170765 0.257039 O\n0.846193 0.169379 0.241325 O\n0.027541 0.361025 0.682834 O\n0.965609 0.356392 0.826550 O\n0.028652 0.362095 0.177388 O\n0.958414 0.359312 0.322403 O\n0.366435 0.382455 0.507677 O\n0.651152 0.371083 0.979377 O\n0.345410 0.369303 0.018574 O\n0.671746 0.349672 0.480636 O\n0.177372 0.477607 0.918170 O\n0.153062 0.484775 0.426300 O\n0.832471 0.490091 0.574242 O\n0.819592 0.479110 0.080468 O\n0.148698 0.505545 0.575359 O\n0.129552 0.528308 0.062506 O\n0.867085 0.534266 0.936435 O\n0.855484 0.549049 0.431005 O\n0.339254 0.656657 0.992831 O\n0.318537 0.669281 0.495268 O\n0.629317 0.630704 0.509517 O\n0.656309 0.658187 0.006726 O\n0.015319 0.664457 0.824354 O\n0.973936 0.665699 0.677081 O\n0.021518 0.664403 0.318353 O\n0.985653 0.669480 0.171471 O\n0.146989 0.853551 0.731373 O\n0.145859 0.861716 0.228801 O\n0.859014 0.861998 0.768611 O\n0.860449 0.862891 0.263525 O\n0.539582 0.867781 0.924202 O\n0.507606 0.841236 0.580539 O\n0.452608 0.871168 0.072683 O\n0.523636 0.876413 0.427513 O\n0.352261 0.985839 0.831335 O\n0.344006 0.987186 0.332080 O\n0.653209 0.993371 0.667485 O\n0.652121 0.984360 0.160128 O\n",
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"formula_full": "Na7 Al12 Si12 H6 Cl1 O48",
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},
{
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}