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{
"id": "mp-17694",
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"structure_string": "Ca10 Al12 O28\n1.0\n5.544304 -5.690127 0.000000\n5.544304 5.690127 0.000000\n0.000000 0.000000 10.396850\nCa Al O\n10 12 28\ndirect\n0.474764 0.474764 0.742067 Ca\n0.525236 0.525236 0.242067 Ca\n0.675437 0.959389 0.199090 Ca\n0.324563 0.040611 0.699090 Ca\n0.040611 0.324563 0.699090 Ca\n0.959389 0.675437 0.199090 Ca\n0.264285 0.947370 0.249659 Ca\n0.735715 0.052630 0.749659 Ca\n0.052630 0.735715 0.749659 Ca\n0.947370 0.264285 0.249659 Ca\n0.646588 0.156957 0.475944 Al\n0.353412 0.843043 0.975944 Al\n0.843043 0.353412 0.975944 Al\n0.156957 0.646588 0.475944 Al\n0.000681 0.000681 0.962529 Al\n0.999319 0.999319 0.462529 Al\n0.700860 0.700860 0.940772 Al\n0.299140 0.299140 0.440772 Al\n0.502362 0.789086 0.508472 Al\n0.497638 0.210914 0.008472 Al\n0.210914 0.497638 0.008472 Al\n0.789086 0.502362 0.508472 Al\n0.699745 0.699745 0.109695 O\n0.300255 0.300255 0.609695 O\n0.495013 0.243242 0.373082 O\n0.504987 0.756758 0.873082 O\n0.756758 0.504987 0.873082 O\n0.243242 0.495013 0.373082 O\n0.993035 0.993035 0.131260 O\n0.006965 0.006965 0.631260 O\n0.489320 0.808754 0.339724 O\n0.510680 0.191246 0.839724 O\n0.191246 0.510680 0.839724 O\n0.808754 0.489320 0.339724 O\n0.853917 0.853917 0.887801 O\n0.146083 0.146083 0.387801 O\n0.808887 0.062858 0.384487 O\n0.191113 0.937142 0.884487 O\n0.937142 0.191113 0.884487 O\n0.062858 0.808887 0.384487 O\n0.298635 0.752344 0.584423 O\n0.701365 0.247656 0.084423 O\n0.247656 0.701365 0.084423 O\n0.752344 0.298635 0.584423 O\n0.991023 0.562811 0.576096 O\n0.008977 0.437189 0.076096 O\n0.437189 0.008977 0.076096 O\n0.562811 0.991023 0.576096 O\n0.625578 0.625578 0.566824 O\n0.374422 0.374422 0.066824 O\n",
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"formula_full": "Ca10 Al12 O28",
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{
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"structure_string": "W4 S4 Br16\n1.0\n6.481749 0.000000 0.000000\n0.000000 10.459845 0.000000\n0.000000 4.813397 12.778106\nW S Br\n4 4 16\ndirect\n0.932595 0.762137 0.042179 W\n0.067405 0.237863 0.957821 W\n0.432595 0.237863 0.457821 W\n0.567405 0.762137 0.542179 W\n0.263531 0.386393 0.978349 S\n0.236469 0.386393 0.478349 S\n0.763531 0.613607 0.521651 S\n0.736469 0.613607 0.021651 S\n0.721344 0.803395 0.693060 Br\n0.809876 0.200592 0.098369 Br\n0.238782 0.024024 0.071394 Br\n0.778656 0.803395 0.193060 Br\n0.198208 0.624132 0.163926 Br\n0.698208 0.375868 0.336074 Br\n0.761218 0.975976 0.928606 Br\n0.261218 0.024024 0.571394 Br\n0.690124 0.200592 0.598369 Br\n0.221344 0.196605 0.806940 Br\n0.301792 0.624132 0.663926 Br\n0.278656 0.196605 0.306940 Br\n0.190124 0.799408 0.901631 Br\n0.309876 0.799408 0.401631 Br\n0.801792 0.375868 0.836074 Br\n0.738782 0.975976 0.428606 Br\n",
"nsites": 24,
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"elements": [
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{
"id": "mp-1194701",
"created_at": "2022-09-04T14:39:07.497889Z",
"structure_string": "Cs8 Zn4 Sn12 Se32\n1.0\n8.030131 0.000000 0.000000\n0.000000 13.656237 0.000000\n0.000000 0.000000 18.797053\nCs Zn Sn Se\n8 4 12 32\ndirect\n0.748915 0.631193 0.052799 Cs\n0.751085 0.368807 0.552799 Cs\n0.248915 0.868807 0.947201 Cs\n0.251085 0.131193 0.447201 Cs\n0.228968 0.811497 0.341754 Cs\n0.271032 0.188503 0.841754 Cs\n0.728968 0.688503 0.658246 Cs\n0.771032 0.311497 0.158246 Cs\n0.990504 0.500684 0.347297 Zn\n0.509496 0.499316 0.847297 Zn\n0.490504 0.999316 0.652703 Zn\n0.009496 0.000684 0.152703 Zn\n0.761300 0.047162 0.319134 Sn\n0.738700 0.952838 0.819134 Sn\n0.261300 0.452838 0.680866 Sn\n0.238700 0.547162 0.180866 Sn\n0.728515 0.936253 0.485053 Sn\n0.771485 0.063747 0.985053 Sn\n0.228515 0.563747 0.514947 Sn\n0.271485 0.436253 0.014947 Sn\n0.505975 0.987607 0.150861 Sn\n0.994025 0.012393 0.650861 Sn\n0.005975 0.512393 0.849139 Sn\n0.494025 0.487607 0.349139 Sn\n0.505718 0.613053 0.454903 Se\n0.994282 0.386947 0.954903 Se\n0.005718 0.886947 0.545097 Se\n0.494282 0.113053 0.045097 Se\n0.968671 0.615380 0.450882 Se\n0.531329 0.384620 0.950882 Se\n0.468671 0.884620 0.549118 Se\n0.031329 0.115380 0.049118 Se\n0.769366 0.884549 0.155148 Se\n0.730634 0.115451 0.655148 Se\n0.269366 0.615451 0.844852 Se\n0.230634 0.384549 0.344852 Se\n0.748774 0.618896 0.851931 Se\n0.751226 0.381104 0.351931 Se\n0.248774 0.881104 0.148069 Se\n0.251226 0.118896 0.648069 Se\n0.507127 0.608733 0.241140 Se\n0.992873 0.391267 0.741140 Se\n0.007127 0.891267 0.758860 Se\n0.492873 0.108733 0.258860 Se\n0.971966 0.603747 0.236819 Se\n0.528034 0.396253 0.736819 Se\n0.471966 0.896253 0.763181 Se\n0.028034 0.103747 0.263181 Se\n0.741193 0.119565 0.447865 Se\n0.758807 0.880435 0.947865 Se\n0.241193 0.380435 0.552135 Se\n0.258807 0.619565 0.052135 Se\n0.741317 0.864931 0.357009 Se\n0.758683 0.135069 0.857009 Se\n0.241317 0.635069 0.642991 Se\n0.258683 0.364931 0.142991 Se\n",
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"volume": 2061.3106229849727,
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"formula_full": "Cs8 Zn4 Sn12 Se32",
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"formula_anonymous": "AB2C3D8",
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{
"id": "mp-972112",
"created_at": "2022-09-04T14:39:09.636608Z",
"structure_string": "Sr4 Mg2 U2 O12\n1.0\n5.876014 0.000000 0.000000\n0.000000 5.851471 0.000000\n0.000000 5.806781 8.260353\nSr Mg U O\n4 2 2 12\ndirect\n0.031674 0.261377 0.747793 Sr\n0.531674 0.738623 0.752207 Sr\n0.468326 0.261377 0.247793 Sr\n0.968326 0.738623 0.252207 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.720972 0.259045 0.456089 O\n0.784943 0.679657 0.540166 O\n0.279028 0.740955 0.543911 O\n0.980997 0.832399 0.746952 O\n0.480997 0.167601 0.753048 O\n0.779028 0.259045 0.956089 O\n0.284943 0.320343 0.959834 O\n0.715057 0.679657 0.040166 O\n0.220972 0.740955 0.043911 O\n0.519003 0.832399 0.246952 O\n0.019003 0.167601 0.253048 O\n0.215057 0.320343 0.459834 O\n",
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"formula_full": "Sr4 Mg2 U2 O12",
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{
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"created_at": "2022-09-04T14:39:09.639694Z",
"structure_string": "K3 Ca1 P2 O8\n1.0\n2.882278 5.053505 0.000000\n-2.882278 5.053505 0.000000\n0.000000 0.493243 7.523369\nK Ca P O\n3 1 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.332098 0.332098 0.700181 K\n0.667902 0.667902 0.299819 K\n0.000000 0.000000 0.500000 Ca\n0.341465 0.341465 0.249899 P\n0.658535 0.658535 0.750101 P\n0.361887 0.361887 0.043479 O\n0.638113 0.638113 0.956521 O\n0.188720 0.188720 0.294899 O\n0.811280 0.811280 0.705102 O\n0.183897 0.624409 0.327671 O\n0.624409 0.183897 0.327671 O\n0.816103 0.375591 0.672329 O\n0.375591 0.816103 0.672329 O\n",
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"formula_full": "K3 Ca1 P2 O8",
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{
"id": "mp-1195724",
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"structure_string": "Ca2 Mn6 Zn2 Si10 O30\n1.0\n6.797265 0.000000 0.000000\n-0.490450 7.797981 0.000000\n-0.414029 -3.176479 11.419251\nCa Mn Zn Si O\n2 6 2 10 30\ndirect\n0.632297 0.045665 0.695554 Ca\n0.367703 0.954335 0.304446 Ca\n0.965775 0.883101 0.854350 Mn\n0.034225 0.116899 0.145650 Mn\n0.873784 0.682794 0.556229 Mn\n0.126216 0.317206 0.443771 Mn\n0.812730 0.490866 0.270867 Mn\n0.187270 0.509134 0.729133 Mn\n0.807563 0.314828 0.980265 Zn\n0.192437 0.685172 0.019735 Zn\n0.759236 0.741346 0.088459 Si\n0.240764 0.258654 0.911541 Si\n0.848257 0.925742 0.345844 Si\n0.151743 0.074258 0.654156 Si\n0.639131 0.268404 0.471985 Si\n0.360869 0.731596 0.528015 Si\n0.708435 0.459884 0.742477 Si\n0.291565 0.540116 0.257523 Si\n0.501390 0.776321 0.877553 Si\n0.498610 0.223679 0.122447 Si\n0.050039 0.163837 0.960764 O\n0.949961 0.836163 0.039236 O\n0.960596 0.954622 0.678495 O\n0.039404 0.045378 0.321505 O\n0.191055 0.600054 0.563180 O\n0.808945 0.399946 0.436820 O\n0.107077 0.401303 0.266945 O\n0.892923 0.598697 0.733055 O\n0.345359 0.074921 0.148035 O\n0.654641 0.925079 0.851965 O\n0.263285 0.796331 0.875594 O\n0.736715 0.203669 0.124406 O\n0.811579 0.546911 0.098958 O\n0.188421 0.453089 0.901042 O\n0.889027 0.751345 0.389386 O\n0.110973 0.248655 0.610614 O\n0.420409 0.255227 0.414112 O\n0.579591 0.744773 0.585888 O\n0.744964 0.325959 0.822749 O\n0.255036 0.674041 0.177251 O\n0.705132 0.860049 0.221304 O\n0.294868 0.139951 0.778696 O\n0.700639 0.054878 0.435188 O\n0.299361 0.945122 0.564812 O\n0.634587 0.313795 0.616456 O\n0.365413 0.686205 0.383544 O\n0.513812 0.577111 0.779818 O\n0.486188 0.422889 0.220182 O\n0.559841 0.739254 0.005751 O\n0.440159 0.260746 0.994249 O\n",
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"formula_full": "Ca2 Mn6 Zn2 Si10 O30",
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{
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{
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"structure_string": "La2 Ge1 I2\n1.0\n2.249432 -3.896130 0.000000\n2.249432 3.896130 0.000000\n0.000000 0.000000 11.037624\nLa Ge I\n2 1 2\ndirect\n0.666667 0.333333 0.652995 La\n0.333333 0.666667 0.347005 La\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.839323 I\n0.666667 0.333333 0.160677 I\n",
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{
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"structure_string": "La1 Tl1\n1.0\n3.994031 0.000000 0.000000\n0.000000 3.994031 0.000000\n0.000000 0.000000 3.994031\nLa Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Tl\n",
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{
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{
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{
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"structure_string": "Au8 Br24\n1.0\n20.812713 0.000000 0.000000\n0.000000 7.049571 0.000000\n0.000000 4.115210 8.158639\nAu Br\n8 24\ndirect\n0.710696 0.631106 0.214865 Au\n0.210696 0.368894 0.285135 Au\n0.289304 0.368894 0.785135 Au\n0.789304 0.631106 0.714865 Au\n0.538027 0.735248 0.239985 Au\n0.038027 0.264752 0.260015 Au\n0.461973 0.264752 0.760015 Au\n0.961973 0.735248 0.739985 Au\n0.767109 0.329722 0.211651 Br\n0.267109 0.670278 0.288349 Br\n0.232891 0.670278 0.788349 Br\n0.732891 0.329722 0.711651 Br\n0.811406 0.815981 0.207040 Br\n0.311406 0.184019 0.292960 Br\n0.188594 0.184019 0.792960 Br\n0.688594 0.815981 0.707040 Br\n0.894225 0.443952 0.732666 Br\n0.394225 0.556048 0.767334 Br\n0.105775 0.556048 0.267334 Br\n0.605775 0.443952 0.232666 Br\n0.060255 0.530596 0.770094 Br\n0.560255 0.469404 0.729906 Br\n0.939745 0.469404 0.229906 Br\n0.439745 0.530596 0.270094 Br\n0.021374 0.030943 0.745978 Br\n0.521374 0.969057 0.754022 Br\n0.978626 0.969057 0.254022 Br\n0.478626 0.030943 0.245978 Br\n0.856657 0.931822 0.708181 Br\n0.356657 0.068178 0.791819 Br\n0.143343 0.068178 0.291819 Br\n0.643343 0.931822 0.208181 Br\n",
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}