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{
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{
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"formula_full": "H3 Cl1 O1",
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"spacegroup": 160
},
{
"id": "mp-6989",
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"structure_string": "Ba2 Se2 O6\n1.0\n5.770569 0.000000 0.000000\n0.000000 4.761478 0.000000\n0.000000 2.172612 6.719903\nBa Se O\n2 2 6\ndirect\n0.250000 0.654071 0.705273 Ba\n0.750000 0.345929 0.294727 Ba\n0.750000 0.064741 0.836438 Se\n0.250000 0.935259 0.163562 Se\n0.017459 0.827103 0.324510 O\n0.517459 0.172897 0.675490 O\n0.982541 0.172897 0.675490 O\n0.482541 0.827103 0.324510 O\n0.250000 0.313710 0.113852 O\n0.750000 0.686290 0.886148 O\n",
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{
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"structure_string": "K16 Ti8 P4 O16 F36\n1.0\n11.162715 0.000000 0.000000\n0.000000 5.937052 0.000000\n0.000000 5.598994 19.710294\nK Ti P O F\n16 8 4 16 36\ndirect\n0.046270 0.657075 0.832718 K\n0.453730 0.657075 0.332718 K\n0.268918 0.456377 0.515756 K\n0.731082 0.543623 0.484244 K\n0.756020 0.127950 0.859810 K\n0.768918 0.543623 0.984244 K\n0.455888 0.640697 0.848511 K\n0.044112 0.640697 0.348511 K\n0.243980 0.872050 0.140190 K\n0.955888 0.359303 0.651489 K\n0.544112 0.359303 0.151489 K\n0.546270 0.342925 0.667282 K\n0.256020 0.872050 0.640190 K\n0.231082 0.456377 0.015756 K\n0.743980 0.127950 0.359810 K\n0.953730 0.342925 0.167282 K\n0.000000 0.000000 0.500000 Ti\n0.746158 0.719270 0.754918 Ti\n0.253842 0.280730 0.245082 Ti\n0.246158 0.280730 0.745082 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.753842 0.719270 0.254918 Ti\n0.500000 0.000000 0.500000 Ti\n0.752497 0.955269 0.591558 P\n0.252497 0.044731 0.908442 P\n0.747503 0.955269 0.091558 P\n0.247503 0.044731 0.408442 P\n0.161219 0.077925 0.963300 O\n0.377048 0.120409 0.930610 O\n0.749188 0.200212 0.099835 O\n0.622952 0.879591 0.069390 O\n0.838781 0.922075 0.036700 O\n0.249188 0.799788 0.400165 O\n0.338781 0.077925 0.463300 O\n0.219783 0.236047 0.841042 O\n0.719783 0.763953 0.658958 O\n0.280217 0.236047 0.341042 O\n0.122952 0.120409 0.430610 O\n0.250812 0.799788 0.900165 O\n0.661219 0.922075 0.536700 O\n0.750812 0.200212 0.599835 O\n0.877048 0.879591 0.569390 O\n0.780217 0.763953 0.158958 O\n0.960755 0.852056 0.931668 F\n0.441771 0.712549 0.557817 F\n0.770387 0.663917 0.851200 F\n0.132086 0.055541 0.257722 F\n0.127122 0.520400 0.723933 F\n0.138010 0.520878 0.239947 F\n0.039245 0.147944 0.068332 F\n0.367914 0.055541 0.757722 F\n0.901840 0.257872 0.456240 F\n0.941771 0.287451 0.942183 F\n0.460755 0.147944 0.568332 F\n0.867914 0.944459 0.742278 F\n0.372878 0.520400 0.223933 F\n0.361990 0.520878 0.739947 F\n0.928362 0.827432 0.444045 F\n0.868900 0.944476 0.262236 F\n0.729613 0.663917 0.351200 F\n0.098160 0.742128 0.543760 F\n0.071638 0.172568 0.555955 F\n0.401840 0.742128 0.043760 F\n0.539245 0.852056 0.431668 F\n0.558229 0.287451 0.442183 F\n0.632086 0.944459 0.242278 F\n0.270387 0.336083 0.648800 F\n0.428362 0.172568 0.055955 F\n0.861990 0.479122 0.760053 F\n0.131100 0.055524 0.737764 F\n0.058229 0.712549 0.057817 F\n0.229613 0.336083 0.148800 F\n0.872878 0.479600 0.276067 F\n0.631100 0.944476 0.762236 F\n0.638010 0.479122 0.260053 F\n0.598160 0.257872 0.956240 F\n0.368900 0.055524 0.237764 F\n0.571638 0.827432 0.944045 F\n0.627122 0.479600 0.776067 F\n",
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{
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"created_at": "2022-09-04T14:43:13.994015Z",
"structure_string": "Na4 Li16 H40 N20\n1.0\n6.732284 0.000000 0.000000\n0.892483 9.843305 0.000000\n1.947546 1.155807 11.219649\nNa Li H N\n4 16 40 20\ndirect\n0.849733 0.649992 0.949658 Na\n0.049812 0.450084 0.350206 Na\n0.250123 0.249776 0.749861 Na\n0.450012 0.049867 0.150281 Na\n0.911936 0.105176 0.797975 Li\n0.320797 0.708204 0.598081 Li\n0.711766 0.304589 0.397902 Li\n0.111767 0.905334 0.198634 Li\n0.512020 0.504985 0.997940 Li\n0.588323 0.394577 0.701759 Li\n0.980074 0.991573 0.502939 Li\n0.389000 0.594609 0.301790 Li\n0.788260 0.194550 0.101601 Li\n0.187444 0.796054 0.901532 Li\n0.403247 0.601794 0.798012 Li\n0.798337 0.196723 0.600244 Li\n0.198131 0.801559 0.402115 Li\n0.600216 0.399707 0.199743 Li\n0.999628 0.000228 0.000004 Li\n0.650804 0.850449 0.550045 Li\n0.787989 0.435420 0.825939 H\n0.187427 0.035710 0.625336 H\n0.588695 0.640533 0.428379 H\n0.987917 0.235197 0.225802 H\n0.388730 0.835522 0.026120 H\n0.924876 0.298533 0.929265 H\n0.332561 0.898661 0.726224 H\n0.725082 0.497287 0.528875 H\n0.124087 0.098127 0.330282 H\n0.525239 0.698859 0.129024 H\n0.394788 0.381148 0.454360 H\n0.794492 0.981103 0.253822 H\n0.196267 0.582450 0.052774 H\n0.595123 0.181183 0.854089 H\n0.989042 0.781211 0.651543 H\n0.291790 0.485262 0.590788 H\n0.688932 0.079776 0.394089 H\n0.093694 0.684768 0.191365 H\n0.492163 0.284660 0.990900 H\n0.891188 0.884514 0.790738 H\n0.357714 0.988049 0.963524 H\n0.561246 0.793211 0.365355 H\n0.756032 0.587969 0.763319 H\n0.956467 0.387866 0.163978 H\n0.156358 0.188066 0.563474 H\n0.535471 0.820831 0.763793 H\n0.726483 0.619474 0.167265 H\n0.925020 0.417009 0.567234 H\n0.126069 0.219138 0.967364 H\n0.325218 0.018295 0.368188 H\n0.561534 0.094600 0.749639 H\n0.760420 0.894658 0.149791 H\n0.950511 0.692909 0.549626 H\n0.161620 0.495805 0.948903 H\n0.359967 0.295037 0.350062 H\n0.757704 0.898417 0.919193 H\n0.959259 0.699436 0.319804 H\n0.156120 0.498362 0.718895 H\n0.356451 0.298144 0.119004 H\n0.550313 0.092809 0.521596 H\n0.684687 0.518413 0.827132 N\n0.083788 0.118566 0.626778 N\n0.493565 0.727888 0.433776 N\n0.884316 0.318049 0.227168 N\n0.284288 0.917850 0.025755 N\n0.999470 0.203248 0.932837 N\n0.416745 0.806725 0.722065 N\n0.798776 0.401605 0.532146 N\n0.199935 0.003258 0.332024 N\n0.598868 0.603297 0.133868 N\n0.412601 0.385872 0.363162 N\n0.811444 0.986095 0.162617 N\n0.211763 0.587600 0.961563 N\n0.610382 0.186554 0.762965 N\n0.986255 0.788556 0.561461 N\n0.304654 0.493600 0.677698 N\n0.698532 0.077320 0.483023 N\n0.107552 0.691365 0.278462 N\n0.505004 0.292351 0.077928 N\n0.905887 0.891949 0.877529 N\n",
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{
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