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{
"id": "mp-1111927",
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"structure_string": "K2 Li1 Cr1 F6\n1.0\n0.000000 4.058214 4.058214\n4.058214 0.000000 4.058214\n4.058214 4.058214 0.000000\nK Li Cr F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n0.759091 0.240909 0.240909 F\n0.240909 0.759091 0.759091 F\n0.240909 0.759091 0.240909 F\n0.759091 0.240909 0.759091 F\n0.240909 0.240909 0.759091 F\n0.759091 0.759091 0.240909 F\n",
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{
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"structure_string": "Sc16 O24\n1.0\n5.457871 0.000000 0.000000\n0.000000 9.334568 0.000000\n0.000000 0.000000 9.941017\nSc O\n16 24\ndirect\n0.180375 0.162173 0.870457 Sc\n0.176769 0.853322 0.058243 Sc\n0.170597 0.529929 0.860460 Sc\n0.185012 0.844570 0.646581 Sc\n0.323231 0.353322 0.558243 Sc\n0.329403 0.029929 0.360460 Sc\n0.314988 0.344570 0.146581 Sc\n0.319625 0.662173 0.370457 Sc\n0.685012 0.655430 0.646581 Sc\n0.670597 0.970071 0.860460 Sc\n0.680375 0.337827 0.870457 Sc\n0.676769 0.646678 0.058243 Sc\n0.823231 0.146678 0.558243 Sc\n0.814988 0.155430 0.146581 Sc\n0.829403 0.470071 0.360460 Sc\n0.819625 0.837827 0.370457 Sc\n0.969601 0.017499 0.994034 O\n0.008582 0.324724 0.990466 O\n0.030399 0.982501 0.494034 O\n0.022565 0.671690 0.002072 O\n0.977435 0.328310 0.502072 O\n0.991418 0.675276 0.490466 O\n0.158539 0.165822 0.233620 O\n0.165618 0.493208 0.271242 O\n0.162309 0.838415 0.260328 O\n0.337691 0.338415 0.760328 O\n0.334382 0.993208 0.771242 O\n0.341461 0.665822 0.733620 O\n0.508582 0.175276 0.990466 O\n0.477435 0.171690 0.502072 O\n0.522565 0.828310 0.002072 O\n0.491418 0.824724 0.490466 O\n0.530399 0.517499 0.494034 O\n0.469601 0.482501 0.994034 O\n0.662309 0.661585 0.260328 O\n0.665618 0.006792 0.271242 O\n0.658539 0.334178 0.233620 O\n0.837691 0.161585 0.760328 O\n0.834382 0.506792 0.771242 O\n0.841461 0.834178 0.733620 O\n",
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"formula_full": "Sc16 O24",
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"spacegroup": 33
},
{
"id": "mp-625572",
"created_at": "2022-09-04T14:47:58.595369Z",
"structure_string": "H20 Br4 O8\n1.0\n4.157569 0.000000 0.000000\n-1.622912 6.845363 0.000000\n-0.115759 -0.096665 12.581216\nH Br O\n20 4 8\ndirect\n0.749287 0.574367 0.677814 H\n0.463317 0.657019 0.593944 H\n0.418364 0.416025 0.639040 H\n0.240478 0.923474 0.175136 H\n0.568182 0.084661 0.136897 H\n0.526902 0.842009 0.095501 H\n0.245244 0.424552 0.321350 H\n0.577113 0.584659 0.362558 H\n0.525079 0.345356 0.404928 H\n0.415188 0.928458 0.869779 H\n0.710722 0.087014 0.813818 H\n0.302259 0.903915 0.606196 H\n0.223835 0.800073 0.491547 H\n0.693189 0.591094 0.107641 H\n0.776349 0.698031 0.996277 H\n0.711325 0.097558 0.392812 H\n0.772436 0.196394 0.508654 H\n0.294897 0.421594 0.895655 H\n0.169004 0.291637 0.997638 H\n0.457978 0.176746 0.905615 H\n0.044049 0.662200 0.838837 Br\n0.963369 0.841590 0.337347 Br\n0.933327 0.338940 0.169394 Br\n0.024532 0.156949 0.667001 Br\n0.590312 0.535918 0.617361 O\n0.396611 0.961477 0.114886 O\n0.401876 0.464150 0.382961 O\n0.585293 0.055393 0.881810 O\n0.295032 0.782165 0.565806 O\n0.698831 0.714656 0.068844 O\n0.679146 0.208362 0.436839 O\n0.342414 0.318129 0.942785 O\n",
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"formula_full": "H20 Br4 O8",
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{
"id": "mp-769333",
"created_at": "2022-09-04T14:43:18.064684Z",
"structure_string": "Ca8 Ta4 O18\n1.0\n5.760926 0.000000 0.000000\n-2.877224 -4.992719 0.000000\n-0.051877 0.001370 -14.873206\nCa Ta O\n8 4 18\ndirect\n0.000742 0.997997 0.255225 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.334420 0.666589 0.343792 Ca\n0.339936 0.667278 0.094956 Ca\n0.660064 0.332722 0.905044 Ca\n0.665580 0.333411 0.656208 Ca\n0.999258 0.002003 0.744775 Ca\n0.328480 0.665007 0.849173 Ta\n0.332994 0.667262 0.649255 Ta\n0.667006 0.332738 0.350745 Ta\n0.671520 0.334993 0.150827 Ta\n0.039057 0.619410 0.752183 O\n0.293884 0.948415 0.598844 O\n0.282612 0.932254 0.910230 O\n0.051093 0.344231 0.600315 O\n0.060329 0.354158 0.910960 O\n0.575113 0.956897 0.753073 O\n0.381544 0.423349 0.753988 O\n0.366000 0.291108 0.084639 O\n0.347182 0.294290 0.400673 O\n0.652818 0.705710 0.599327 O\n0.634000 0.708892 0.915361 O\n0.618456 0.576651 0.246012 O\n0.424887 0.043103 0.246927 O\n0.939671 0.645842 0.089040 O\n0.948907 0.655769 0.399685 O\n0.717388 0.067746 0.089770 O\n0.706116 0.051585 0.401156 O\n0.960943 0.380590 0.247817 O\n",
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"formula_full": "Ca8 Ta4 O18",
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{
"id": "mp-6610",
"created_at": "2022-09-04T14:41:02.573507Z",
"structure_string": "K6 Cu2 C8 N8\n1.0\n6.383254 -4.949633 0.000000\n6.383254 4.949633 0.000000\n2.545264 0.000000 7.665927\nK Cu C N\n6 2 8 8\ndirect\n0.009103 0.500657 0.666618 K\n0.666618 0.009103 0.500657 K\n0.500657 0.666618 0.009103 K\n0.509103 0.166618 0.000657 K\n0.000657 0.509103 0.166618 K\n0.166618 0.000657 0.509103 K\n0.498704 0.498704 0.498704 Cu\n0.998704 0.998704 0.998704 Cu\n0.365070 0.508371 0.733719 C\n0.508371 0.733719 0.365070 C\n0.884233 0.884233 0.884233 C\n0.384233 0.384233 0.384233 C\n0.733719 0.365070 0.508371 C\n0.008371 0.865070 0.233719 C\n0.233719 0.008371 0.865070 C\n0.865070 0.233719 0.008371 C\n0.006842 0.781862 0.376885 N\n0.876885 0.281862 0.506842 N\n0.281862 0.506842 0.876885 N\n0.506842 0.876885 0.281862 N\n0.815136 0.815136 0.815136 N\n0.315136 0.315136 0.315136 N\n0.781862 0.376885 0.006842 N\n0.376885 0.006842 0.781862 N\n",
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"formula_full": "K6 Cu2 C8 N8",
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{
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"structure_string": "Tm8 Zr6 O24\n1.0\n6.376086 0.000000 0.000000\n-1.040527 6.318731 0.000000\n-2.087428 -2.401999 12.377720\nTm Zr O\n8 6 24\ndirect\n0.390447 0.862532 0.096524 Tm\n0.312518 0.609058 0.819184 Tm\n0.302248 0.610336 0.319282 Tm\n0.859663 0.689775 0.446181 Tm\n0.687482 0.390942 0.180816 Tm\n0.140337 0.310225 0.553819 Tm\n0.609553 0.137468 0.903476 Tm\n0.697752 0.389664 0.680718 Tm\n0.993625 0.993855 0.248057 Zr\n0.389883 0.857040 0.594018 Zr\n0.006375 0.006145 0.751943 Zr\n0.856739 0.681311 0.945128 Zr\n0.143261 0.318689 0.054872 Zr\n0.610117 0.142960 0.405982 Zr\n0.320795 0.942946 0.787345 O\n0.042672 0.904218 0.088346 O\n0.319532 0.957035 0.295588 O\n0.071307 0.919955 0.592406 O\n0.586321 0.819581 0.962808 O\n0.921919 0.688506 0.788375 O\n0.174436 0.575264 0.965438 O\n0.569857 0.828223 0.463107 O\n0.408870 0.566906 0.158527 O\n0.922612 0.680259 0.277833 O\n0.591130 0.433094 0.841473 O\n0.183883 0.590740 0.468264 O\n0.825564 0.424736 0.034562 O\n0.425050 0.581453 0.658784 O\n0.078081 0.311494 0.211625 O\n0.574950 0.418547 0.341216 O\n0.413679 0.180419 0.037192 O\n0.816117 0.409260 0.531736 O\n0.077388 0.319741 0.722167 O\n0.430143 0.171777 0.536893 O\n0.957328 0.095782 0.911654 O\n0.679205 0.057054 0.212655 O\n0.928693 0.080045 0.407594 O\n0.680468 0.042965 0.704412 O\n",
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{
"id": "mp-555218",
"created_at": "2022-09-04T14:41:14.879645Z",
"structure_string": "Ba8 Br12 O2\n1.0\n5.258601 -9.108164 0.000000\n5.258601 9.108164 0.000000\n0.000000 0.000000 8.038767\nBa Br O\n8 12 2\ndirect\n0.199145 0.800855 0.000722 Ba\n0.333333 0.666667 0.418966 Ba\n0.601710 0.800855 0.000722 Ba\n0.800855 0.199145 0.500722 Ba\n0.398290 0.199145 0.500722 Ba\n0.800855 0.601710 0.500722 Ba\n0.666667 0.333333 0.918966 Ba\n0.199145 0.398290 0.000722 Ba\n0.715183 0.857592 0.392948 Br\n0.530814 0.469186 0.208453 Br\n0.142408 0.284817 0.392948 Br\n0.284817 0.142408 0.892948 Br\n0.857592 0.715183 0.892948 Br\n0.857592 0.142408 0.892948 Br\n0.061627 0.530814 0.708453 Br\n0.469186 0.938373 0.708453 Br\n0.142408 0.857592 0.392948 Br\n0.530814 0.061627 0.208453 Br\n0.469186 0.530814 0.708453 Br\n0.938373 0.469186 0.208453 Br\n0.333333 0.666667 0.100234 O\n0.666667 0.333333 0.600234 O\n",
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{
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"structure_string": "Li4 Sn2 H20 O16\n1.0\n7.070904 0.000000 0.000000\n0.000000 5.063376 0.000000\n0.000000 3.501940 10.058404\nLi Sn H O\n4 2 20 16\ndirect\n0.774495 0.379235 0.677351 Li\n0.725505 0.379235 0.177351 Li\n0.225505 0.620765 0.322649 Li\n0.274495 0.620765 0.822649 Li\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.826306 0.899768 0.602472 H\n0.673694 0.899768 0.102472 H\n0.173694 0.100232 0.397528 H\n0.326306 0.100232 0.897528 H\n0.448790 0.343192 0.637751 H\n0.051210 0.343192 0.137751 H\n0.551210 0.656808 0.362249 H\n0.948790 0.656808 0.862249 H\n0.217278 0.671832 0.585339 H\n0.282722 0.671832 0.085339 H\n0.782722 0.328168 0.414661 H\n0.717278 0.328168 0.914661 H\n0.024671 0.054482 0.706458 H\n0.475329 0.054482 0.206458 H\n0.975329 0.945518 0.293542 H\n0.524671 0.945518 0.793542 H\n0.094584 0.222232 0.554099 H\n0.405416 0.222232 0.054099 H\n0.905416 0.777768 0.445901 H\n0.594584 0.777768 0.945901 H\n0.747967 0.773197 0.570841 O\n0.752033 0.773197 0.070841 O\n0.252033 0.226803 0.429159 O\n0.247967 0.226803 0.929159 O\n0.539005 0.186791 0.646702 O\n0.960995 0.186791 0.146702 O\n0.460995 0.813209 0.353298 O\n0.039005 0.813209 0.853298 O\n0.335664 0.677113 0.632434 O\n0.164336 0.677113 0.132434 O\n0.664336 0.322887 0.367566 O\n0.835664 0.322887 0.867566 O\n0.988657 0.201725 0.619362 O\n0.511343 0.201725 0.119362 O\n0.011343 0.798275 0.380638 O\n0.488657 0.798275 0.880638 O\n",
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{
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