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{
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{
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"structure_string": "Na6 Ni6 P12 H6 O42\n1.0\n6.525052 0.000000 0.000000\n0.175670 6.527415 0.000000\n1.085620 1.865915 18.241319\nNa Ni P H O\n6 6 12 6 42\ndirect\n0.519054 0.882849 0.747111 Na\n0.185679 0.882880 0.413781 Na\n0.779108 0.836137 0.086497 Na\n0.220640 0.163588 0.913494 Na\n0.888301 0.164439 0.579722 Na\n0.555131 0.164761 0.246224 Na\n0.992160 0.641013 0.703017 Ni\n0.658973 0.640902 0.369793 Ni\n0.680066 0.358344 0.964054 Ni\n0.320083 0.641988 0.035737 Ni\n0.346793 0.359930 0.630568 Ni\n0.013109 0.359684 0.296994 Ni\n0.672287 0.858682 0.927802 P\n0.338877 0.858009 0.594681 P\n0.005566 0.857854 0.261182 P\n0.045609 0.620681 0.878404 P\n0.712438 0.620787 0.545146 P\n0.378901 0.621169 0.212065 P\n0.620530 0.381062 0.787863 P\n0.287180 0.381035 0.454496 P\n0.954543 0.378902 0.121241 P\n0.994170 0.142461 0.739104 P\n0.660817 0.142450 0.405770 P\n0.327588 0.141480 0.072315 P\n0.344307 0.799281 0.897609 H\n0.011127 0.799481 0.564300 H\n0.678843 0.800673 0.231791 H\n0.316523 0.197871 0.768856 H\n0.983261 0.197930 0.435480 H\n0.654483 0.199468 0.101538 H\n0.494682 0.908110 0.876226 O\n0.926402 0.961025 0.701675 O\n0.861084 0.792632 0.874488 O\n0.161102 0.908440 0.543176 O\n0.593077 0.961013 0.368343 O\n0.207674 0.706573 0.926581 O\n0.621171 0.669955 0.983613 O\n0.527665 0.792401 0.541228 O\n0.826710 0.907836 0.210020 O\n0.263990 0.960613 0.034137 O\n0.874178 0.706878 0.593382 O\n0.288255 0.669287 0.650131 O\n0.194314 0.792206 0.207907 O\n0.131220 0.614811 0.800582 O\n0.706257 0.579692 0.749518 O\n0.540270 0.706453 0.260489 O\n0.954994 0.669185 0.316689 O\n0.797912 0.614797 0.467298 O\n0.372933 0.579680 0.416192 O\n0.963195 0.420835 0.917323 O\n0.534281 0.383365 0.866027 O\n0.465677 0.617098 0.133982 O\n0.036848 0.579536 0.083145 O\n0.629962 0.420766 0.583948 O\n0.200732 0.383410 0.532631 O\n0.046008 0.329497 0.682877 O\n0.461627 0.292359 0.739509 O\n0.296564 0.420515 0.250239 O\n0.867225 0.382841 0.199315 O\n0.804991 0.207693 0.792115 O\n0.712647 0.329493 0.349550 O\n0.128304 0.292292 0.406129 O\n0.736034 0.039278 0.966169 O\n0.173562 0.093586 0.790106 O\n0.471642 0.207699 0.458779 O\n0.378622 0.330110 0.016504 O\n0.792734 0.293837 0.073020 O\n0.403612 0.039778 0.632338 O\n0.840230 0.093569 0.456764 O\n0.138789 0.207572 0.125545 O\n0.070020 0.039798 0.298778 O\n0.506189 0.092499 0.123632 O\n",
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"spacegroup": 1
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{
"id": "mp-1521350",
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"structure_string": "K1 Gd1 Ti4 O12\n1.0\n0.000000 -3.885570 -3.869574\n0.000000 -3.885570 3.869574\n-7.786351 0.000000 0.000000\nK Gd Ti O\n1 1 4 12\ndirect\n0.990720 0.009280 0.000000 K\n0.518875 0.481125 0.500000 Gd\n0.495916 0.990874 0.243498 Ti\n0.495916 0.990874 0.756502 Ti\n0.009126 0.504084 0.756502 Ti\n0.009126 0.504084 0.243498 Ti\n0.249285 0.250934 0.269993 O\n0.749066 0.750715 0.269993 O\n0.749066 0.750715 0.730007 O\n0.249285 0.250934 0.730007 O\n0.269821 0.730179 0.287875 O\n0.732464 0.267536 0.254652 O\n0.732464 0.267536 0.745348 O\n0.269821 0.730179 0.712125 O\n0.486403 0.990443 0.000000 O\n0.515356 0.038367 0.500000 O\n0.009557 0.513597 0.000000 O\n0.961633 0.484644 0.500000 O\n",
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{
"id": "mp-1038408",
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"structure_string": "Mg30 Al1 V1 O32\n1.0\n8.553516 0.000000 0.000000\n0.000000 8.553516 0.000000\n0.000000 0.000000 8.531271\nMg Al V O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251267 0.000000 0.250200 Mg\n0.251267 0.000000 0.749800 Mg\n0.748733 0.000000 0.250200 Mg\n0.748733 0.000000 0.749800 Mg\n0.250774 0.500000 0.250402 Mg\n0.250774 0.500000 0.749598 Mg\n0.749226 0.500000 0.250402 Mg\n0.749226 0.500000 0.749598 Mg\n0.000000 0.251267 0.250200 Mg\n0.000000 0.251267 0.749800 Mg\n0.500000 0.250774 0.250402 Mg\n0.500000 0.250774 0.749598 Mg\n0.000000 0.748733 0.250200 Mg\n0.000000 0.748733 0.749800 Mg\n0.500000 0.749226 0.250402 Mg\n0.500000 0.749226 0.749598 Mg\n0.250920 0.250920 0.000000 Mg\n0.251025 0.251025 0.500000 Mg\n0.749080 0.250920 0.000000 Mg\n0.748975 0.251025 0.500000 Mg\n0.250920 0.749080 0.000000 Mg\n0.251025 0.748975 0.500000 Mg\n0.749080 0.749080 0.000000 Mg\n0.748975 0.748975 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 V\n0.000000 0.235247 0.000000 O\n0.000000 0.253836 0.500000 O\n0.500000 0.248070 0.000000 O\n0.500000 0.249784 0.500000 O\n0.000000 0.764753 0.000000 O\n0.000000 0.746164 0.500000 O\n0.500000 0.751930 0.000000 O\n0.500000 0.750216 0.500000 O\n0.249744 0.249744 0.249511 O\n0.249744 0.249744 0.750489 O\n0.750256 0.249744 0.249511 O\n0.750256 0.249744 0.750489 O\n0.249744 0.750256 0.249511 O\n0.249744 0.750256 0.750489 O\n0.750256 0.750256 0.249511 O\n0.750256 0.750256 0.750489 O\n0.000000 0.000000 0.231810 O\n0.000000 0.000000 0.768190 O\n0.500000 0.000000 0.247099 O\n0.500000 0.000000 0.752901 O\n0.000000 0.500000 0.247099 O\n0.000000 0.500000 0.752901 O\n0.500000 0.500000 0.249037 O\n0.500000 0.500000 0.750963 O\n0.235247 0.000000 0.000000 O\n0.253836 0.000000 0.500000 O\n0.764753 0.000000 0.000000 O\n0.746164 0.000000 0.500000 O\n0.248070 0.500000 0.000000 O\n0.249784 0.500000 0.500000 O\n0.751930 0.500000 0.000000 O\n0.750216 0.500000 0.500000 O\n",
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{
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"structure_string": "Ca16 Si8 O30 F6\n1.0\n10.566041 0.000000 0.000000\n0.000000 7.637118 0.000000\n0.000000 3.677254 10.459343\nCa Si O F\n16 8 30 6\ndirect\n0.344067 0.968486 0.800268 Ca\n0.845853 0.030044 0.697774 Ca\n0.154147 0.030044 0.197774 Ca\n0.655933 0.968486 0.300268 Ca\n0.337783 0.470190 0.817716 Ca\n0.836342 0.531620 0.682219 Ca\n0.163658 0.531620 0.182219 Ca\n0.662217 0.470190 0.317716 Ca\n0.618226 0.167959 0.927486 Ca\n0.119805 0.829547 0.576177 Ca\n0.880195 0.829547 0.076177 Ca\n0.381774 0.167959 0.427486 Ca\n0.616968 0.662833 0.914836 Ca\n0.121572 0.338882 0.583993 Ca\n0.878428 0.338882 0.083993 Ca\n0.383032 0.662833 0.414836 Ca\n0.559074 0.847277 0.622563 Si\n0.057303 0.152047 0.876158 Si\n0.942697 0.152047 0.376158 Si\n0.440926 0.847277 0.122563 Si\n0.556560 0.272089 0.632713 Si\n0.056735 0.727185 0.868186 Si\n0.943265 0.727185 0.368186 Si\n0.443440 0.272089 0.132713 Si\n0.521148 0.062781 0.621415 O\n0.022598 0.936609 0.879974 O\n0.977402 0.936609 0.379974 O\n0.478852 0.062781 0.121415 O\n0.517114 0.858426 0.478103 O\n0.013777 0.143279 0.021146 O\n0.986223 0.143279 0.521146 O\n0.482886 0.858426 0.978103 O\n0.707659 0.803364 0.659561 O\n0.206434 0.198697 0.846009 O\n0.793566 0.198697 0.346009 O\n0.292341 0.803364 0.159561 O\n0.511801 0.408669 0.492084 O\n0.010770 0.590983 0.008596 O\n0.989230 0.590983 0.508596 O\n0.488199 0.408669 0.992084 O\n0.706022 0.284298 0.664289 O\n0.205839 0.710472 0.838357 O\n0.794161 0.710472 0.338357 O\n0.293978 0.284298 0.164289 O\n0.471374 0.269249 0.756894 O\n0.971857 0.732291 0.743156 O\n0.028143 0.732291 0.243156 O\n0.528626 0.269249 0.256894 O\n0.471679 0.721428 0.741469 O\n0.971288 0.277952 0.757256 O\n0.028712 0.277952 0.257256 O\n0.528321 0.721428 0.241469 O\n0.240127 0.072209 0.601115 O\n0.759873 0.072209 0.101115 O\n0.253209 0.574550 0.605075 F\n0.751955 0.430846 0.891876 F\n0.248045 0.430846 0.391876 F\n0.746791 0.574550 0.105075 F\n0.745336 0.925740 0.893537 F\n0.254664 0.925740 0.393537 F\n",
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],
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"formula_full": "Ca16 Si8 O30 F6",
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"spacegroup": 7
},
{
"id": "mp-1205264",
"created_at": "2022-09-04T14:48:02.888481Z",
"structure_string": "Na28 Mn20 P12 H24 O60 F52\n1.0\n-5.417807 -9.337562 -0.113128\n-5.377662 9.314384 0.000000\n-0.253221 -0.146197 -23.232291\nNa Mn P H O F\n28 20 12 24 60 52\ndirect\n0.000000 0.000296 0.750000 Na\n1.000000 0.999704 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.379252 0.000112 0.750044 Na\n1.000000 0.375995 0.750000 Na\n0.620748 0.620860 0.749956 Na\n0.379252 0.379140 0.250044 Na\n0.620748 0.999888 0.249956 Na\n0.000000 0.624005 0.250000 Na\n0.670220 0.635713 0.507586 Na\n0.362441 0.036269 0.506278 Na\n0.964517 0.330773 0.506172 Na\n0.670220 0.034507 0.007586 Na\n0.964517 0.633745 0.006172 Na\n0.362441 0.326172 0.006279 Na\n0.329780 0.364287 0.492414 Na\n0.637559 0.963731 0.493721 Na\n0.035483 0.669227 0.493828 Na\n0.329780 0.965493 0.992414 Na\n0.035483 0.366255 0.993828 Na\n0.637559 0.673828 0.993722 Na\n0.000000 0.687882 0.750000 Na\n0.312088 0.313463 0.748837 Na\n0.687912 0.001375 0.751163 Na\n1.000000 0.312118 0.250000 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0.191943 0.874135 P\n0.814572 0.210510 0.874987 P\n0.804130 0.484964 0.587052 H\n0.516507 0.319873 0.587997 H\n0.682291 0.200541 0.588667 H\n0.804130 0.319166 0.087052 H\n0.682291 0.481750 0.088667 H\n0.516507 0.196635 0.087997 H\n0.195870 0.515036 0.412948 H\n0.483493 0.680127 0.412003 H\n0.317709 0.799459 0.411333 H\n0.195870 0.680834 0.912948 H\n0.317709 0.518250 0.911333 H\n0.483493 0.803365 0.912003 H\n0.802155 0.481796 0.655956 H\n0.514297 0.320027 0.656999 H\n0.679071 0.196674 0.657038 H\n0.802155 0.320359 0.155956 H\n0.679071 0.482398 0.157038 H\n0.514297 0.194269 0.156999 H\n0.197845 0.518204 0.344044 H\n0.485703 0.679973 0.343001 H\n0.320929 0.803326 0.342962 H\n0.197845 0.679641 0.844044 H\n0.320929 0.517602 0.842962 H\n0.485703 0.805731 0.843001 H\n0.267358 0.964754 0.601533 O\n0.035627 0.298104 0.598912 O\n0.698651 0.733006 0.603451 O\n0.267358 0.302604 0.101533 O\n0.698651 0.965646 0.103451 O\n0.035627 0.737523 0.098912 O\n0.732642 0.035246 0.398467 O\n0.964373 0.701896 0.401088 O\n0.301349 0.266994 0.396549 O\n0.732642 0.697396 0.898467 O\n0.301349 0.034354 0.896549 O\n0.964373 0.262477 0.901088 O\n0.055282 0.758341 0.652295 O\n0.243150 0.299268 0.648601 O\n0.703048 0.945135 0.652789 O\n0.055282 0.296941 0.152295 O\n0.703048 0.757912 0.152789 O\n0.243150 0.943882 0.148601 O\n0.944718 0.241659 0.347705 O\n0.756850 0.700732 0.351399 O\n0.296952 0.054865 0.347211 O\n0.944718 0.703059 0.847705 O\n0.296952 0.242088 0.847211 O\n0.756850 0.056118 0.851399 O\n0.303821 0.812212 0.674962 O\n0.179091 0.485589 0.674349 O\n0.505242 0.697601 0.676027 O\n0.303821 0.491609 0.174962 O\n0.505242 0.807642 0.176027 O\n0.179091 0.693502 0.174349 O\n0.696179 0.187788 0.325038 O\n0.820909 0.514411 0.325651 O\n0.494758 0.302399 0.323973 O\n0.696179 0.508391 0.825038 O\n0.494758 0.192358 0.823973 O\n0.820909 0.306498 0.825651 O\n0.197341 0.711136 0.575947 O\n0.286606 0.488993 0.574184 O\n0.520517 0.805861 0.575812 O\n0.197341 0.486206 0.075947 O\n0.520517 0.714656 0.075812 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{
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