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{
"id": "mp-1187766",
"created_at": "2022-09-04T14:47:58.200869Z",
"structure_string": "Y3 Ga1\n1.0\n4.757077 0.000000 0.000000\n0.000000 4.757077 0.000000\n0.000000 0.000000 4.757077\nY Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "K1 Li1 Ni2 H3 Se2 O10\n1.0\n4.156986 3.197605 -1.972043\n4.320978 -3.402122 -1.957759\n0.054000 0.013561 -8.314844\nK Li Ni H Se O\n1 1 2 3 2 10\ndirect\n0.591300 0.400361 0.526275 K\n0.134910 0.858271 0.496616 Li\n0.004193 0.485039 0.975022 Ni\n0.501954 0.003801 0.000466 Ni\n0.668697 0.690480 0.806703 H\n0.296234 0.338409 0.205226 H\n0.470828 0.491244 0.014679 H\n0.903910 0.942189 0.257122 Se\n0.111944 0.034383 0.748514 Se\n0.787848 0.837959 0.476313 O\n0.190712 0.167020 0.523893 O\n0.234793 0.849902 0.231391 O\n0.807241 0.256195 0.205324 O\n0.777826 0.159036 0.802820 O\n0.153064 0.709159 0.738945 O\n0.633620 0.657423 0.935187 O\n0.338624 0.362764 0.076619 O\n0.806854 0.810714 0.146759 O\n0.218925 0.198175 0.863127 O\n",
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{
"id": "mp-851120",
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"structure_string": "K2 Na4 Li6 Zr4 Si24 O60\n1.0\n5.233919 -9.065413 0.000000\n5.233919 9.065413 0.000000\n0.000000 0.000000 14.269970\nK Na Li Zr Si O\n2 4 6 4 24 60\ndirect\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.333333 0.666667 0.000000 Na\n0.333333 0.666667 0.500000 Na\n0.666667 0.333333 0.000000 Na\n0.666667 0.333333 0.500000 Na\n0.000000 0.500000 0.250000 Li\n0.000000 0.500000 0.750000 Li\n0.500000 0.500000 0.250000 Li\n0.500000 0.500000 0.750000 Li\n0.500000 0.000000 0.250000 Li\n0.500000 0.000000 0.750000 Li\n0.333333 0.666667 0.250000 Zr\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.108110 0.761952 0.389005 Si\n0.108110 0.761952 0.610995 Si\n0.238048 0.891890 0.110995 Si\n0.238048 0.891890 0.889005 Si\n0.108110 0.346158 0.110995 Si\n0.108110 0.346158 0.889005 Si\n0.238048 0.346158 0.389005 Si\n0.238048 0.346158 0.610995 Si\n0.653842 0.891890 0.389005 Si\n0.653842 0.891890 0.610995 Si\n0.346158 0.238048 0.110995 Si\n0.346158 0.238048 0.889005 Si\n0.653842 0.761952 0.110995 Si\n0.653842 0.761952 0.889005 Si\n0.346158 0.108110 0.610995 Si\n0.346158 0.108110 0.389005 Si\n0.761952 0.653842 0.389005 Si\n0.761952 0.653842 0.610995 Si\n0.891890 0.653842 0.889005 Si\n0.891890 0.653842 0.110995 Si\n0.761952 0.108110 0.110995 Si\n0.761952 0.108110 0.889005 Si\n0.891890 0.238048 0.389005 Si\n0.891890 0.238048 0.610995 Si\n0.059853 0.788177 0.130614 O\n0.059853 0.788177 0.869386 O\n0.211823 0.940147 0.369386 O\n0.211823 0.940147 0.630614 O\n0.130651 0.730771 0.500000 O\n0.269229 0.869349 0.000000 O\n0.148955 0.661616 0.325570 O\n0.148955 0.661616 0.674430 O\n0.148955 0.487339 0.174430 O\n0.148955 0.487339 0.825570 O\n0.059853 0.271676 0.369386 O\n0.059853 0.271676 0.630614 O\n0.338384 0.851045 0.174430 O\n0.338384 0.851045 0.825570 O\n0.130651 0.399880 0.000000 O\n0.269229 0.399880 0.500000 O\n0.512661 0.851045 0.325570 O\n0.512661 0.851045 0.674430 O\n0.211823 0.271676 0.130614 O\n0.211823 0.271676 0.869386 O\n0.338384 0.487339 0.674430 O\n0.338384 0.487339 0.325570 O\n0.512661 0.661616 0.174430 O\n0.512661 0.661616 0.825570 O\n0.600120 0.869349 0.500000 O\n0.271676 0.211823 0.369386 O\n0.271676 0.211823 0.630614 O\n0.600120 0.730771 0.000000 O\n0.728324 0.940147 0.130614 O\n0.728324 0.940147 0.869386 O\n0.271676 0.059853 0.130614 O\n0.271676 0.059853 0.869386 O\n0.399880 0.269229 0.000000 O\n0.728324 0.788177 0.369386 O\n0.728324 0.788177 0.630614 O\n0.399880 0.130651 0.500000 O\n0.487339 0.338384 0.174430 O\n0.487339 0.338384 0.825570 O\n0.661616 0.512661 0.325570 O\n0.661616 0.512661 0.674430 O\n0.788177 0.728324 0.130614 O\n0.788177 0.728324 0.869386 O\n0.487339 0.148955 0.325570 O\n0.487339 0.148955 0.674430 O\n0.730771 0.600120 0.500000 O\n0.869349 0.600120 0.000000 O\n0.661616 0.148955 0.174430 O\n0.661616 0.148955 0.825570 O\n0.940147 0.728324 0.369386 O\n0.940147 0.728324 0.630614 O\n0.851045 0.512661 0.174430 O\n0.851045 0.512661 0.825570 O\n0.851045 0.338384 0.325570 O\n0.851045 0.338384 0.674430 O\n0.730771 0.130651 0.000000 O\n0.869349 0.269229 0.500000 O\n0.788177 0.059853 0.369386 O\n0.788177 0.059853 0.630614 O\n0.940147 0.211823 0.130614 O\n0.940147 0.211823 0.869386 O\n",
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],
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"density": 2.71090281308226,
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"volume": 1354.152722926591,
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"formula_full": "K2 Na4 Li6 Zr4 Si24 O60",
"formula_reduced": "KNa2Li3Zr2(Si2O5)6",
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"spacegroup": 192
},
{
"id": "mp-1227334",
"created_at": "2022-09-04T14:47:58.193644Z",
"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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"structure_string": "Mn8 Zn4 O16\n1.0\n3.008151 0.000000 0.000000\n0.000000 9.108232 0.000000\n0.000000 0.000000 10.495441\nMn Zn O\n8 4 16\ndirect\n0.750000 0.916451 0.105154 Mn\n0.250000 0.583549 0.605154 Mn\n0.750000 0.416451 0.394846 Mn\n0.250000 0.083549 0.894846 Mn\n0.250000 0.065455 0.382962 Mn\n0.750000 0.934545 0.617038 Mn\n0.250000 0.565455 0.117038 Mn\n0.750000 0.434545 0.882962 Mn\n0.250000 0.748990 0.349166 Zn\n0.750000 0.251010 0.650834 Zn\n0.250000 0.248990 0.150834 Zn\n0.750000 0.751010 0.849166 Zn\n0.750000 0.401926 0.071359 O\n0.250000 0.598074 0.928641 O\n0.750000 0.901926 0.428641 O\n0.250000 0.098074 0.571359 O\n0.750000 0.522235 0.715349 O\n0.250000 0.477765 0.284651 O\n0.750000 0.022235 0.784651 O\n0.250000 0.977765 0.215349 O\n0.750000 0.117810 0.032253 O\n0.250000 0.882190 0.967747 O\n0.750000 0.617810 0.467747 O\n0.250000 0.382190 0.532253 O\n0.250000 0.281566 0.819389 O\n0.750000 0.718434 0.180611 O\n0.750000 0.218434 0.319389 O\n0.250000 0.781566 0.680611 O\n",
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{
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{
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"structure_string": "Ce12 Ge8 Rh8\n1.0\n5.608529 0.000000 0.000000\n0.000000 8.081324 0.000000\n0.000000 0.000000 13.309131\nCe Ge Rh\n12 8 8\ndirect\n0.363710 0.741938 0.750000 Ce\n0.363710 0.758062 0.250000 Ce\n0.636290 0.241938 0.750000 Ce\n0.636290 0.258062 0.250000 Ce\n0.155922 0.396721 0.402298 Ce\n0.155922 0.103279 0.597702 Ce\n0.844078 0.896721 0.097702 Ce\n0.844078 0.603279 0.902298 Ce\n0.844078 0.603279 0.597702 Ce\n0.844078 0.896721 0.402298 Ce\n0.155922 0.103279 0.902298 Ce\n0.155922 0.396721 0.097702 Ce\n0.675362 0.250000 0.500000 Ge\n0.324638 0.750000 0.000000 Ge\n0.324638 0.750000 0.500000 Ge\n0.675362 0.250000 0.000000 Ge\n0.869195 0.892387 0.750000 Ge\n0.869195 0.607613 0.250000 Ge\n0.130805 0.392387 0.750000 Ge\n0.130805 0.107613 0.250000 Ge\n0.378738 0.042062 0.406923 Rh\n0.378738 0.457938 0.593077 Rh\n0.621262 0.542062 0.093077 Rh\n0.621262 0.957938 0.906923 Rh\n0.378738 0.042062 0.093077 Rh\n0.378738 0.457938 0.906923 Rh\n0.621262 0.542062 0.406923 Rh\n0.621262 0.957938 0.593077 Rh\n",
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{
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