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{
"id": "mp-14948",
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"formula_full": "Tb8 Cu8 Mo16 O64",
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{
"id": "mp-555214",
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"structure_string": "Zn26 S26\n1.0\n1.924387 -3.333137 0.000000\n1.924387 3.333137 0.000000\n0.000000 0.000000 81.845997\nZn S\n26 26\ndirect\n0.000000 0.000000 0.692292 Zn\n0.333333 0.666667 0.115374 Zn\n0.333333 0.666667 0.307700 Zn\n0.333333 0.666667 0.923046 Zn\n0.000000 0.000000 0.961522 Zn\n0.666667 0.333333 0.884604 Zn\n0.666667 0.333333 0.384601 Zn\n0.666667 0.333333 0.269217 Zn\n0.000000 0.000000 0.461522 Zn\n0.333333 0.666667 0.807756 Zn\n0.333333 0.666667 0.730938 Zn\n0.000000 0.000000 0.076912 Zn\n0.000000 0.000000 0.346147 Zn\n0.000000 0.000000 0.846153 Zn\n0.333333 0.666667 0.653813 Zn\n0.333333 0.666667 0.000015 Zn\n0.666667 0.333333 0.615392 Zn\n0.666667 0.333333 0.153832 Zn\n0.666667 0.333333 0.038455 Zn\n0.000000 0.000000 0.576908 Zn\n0.666667 0.333333 0.538435 Zn\n0.333333 0.666667 0.230739 Zn\n0.333333 0.666667 0.500012 Zn\n0.000000 0.000000 0.192292 Zn\n0.333333 0.666667 0.423046 Zn\n0.000000 0.000000 0.769751 Zn\n0.333333 0.666667 0.028874 S\n0.333333 0.666667 0.759995 S\n0.333333 0.666667 0.451898 S\n0.666667 0.333333 0.644242 S\n0.666667 0.333333 0.796897 S\n0.000000 0.000000 0.221156 S\n0.000000 0.000000 0.721219 S\n0.666667 0.333333 0.067319 S\n0.000000 0.000000 0.105782 S\n0.000000 0.000000 0.375015 S\n0.333333 0.666667 0.682668 S\n0.000000 0.000000 0.990428 S\n0.666667 0.333333 0.298114 S\n0.333333 0.666667 0.144243 S\n0.666667 0.333333 0.182700 S\n0.000000 0.000000 0.875026 S\n0.333333 0.666667 0.336557 S\n0.333333 0.666667 0.836589 S\n0.666667 0.333333 0.413464 S\n0.333333 0.666667 0.528866 S\n0.333333 0.666667 0.951899 S\n0.666667 0.333333 0.567281 S\n0.666667 0.333333 0.913466 S\n0.000000 0.000000 0.490428 S\n0.333333 0.666667 0.259591 S\n0.000000 0.000000 0.605811 S\n",
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{
"id": "mp-1186386",
"created_at": "2022-09-04T14:48:29.509603Z",
"structure_string": "Nd1 Pu3\n1.0\n-2.432384 2.432384 4.947144\n2.432384 -2.432384 4.947144\n2.432384 2.432384 -4.947144\nNd Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n",
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{
"id": "mp-850747",
"created_at": "2022-09-04T14:48:29.508314Z",
"structure_string": "Li4 Fe8 P8 H4 O32\n1.0\n5.013077 0.000000 0.000000\n0.000000 8.489186 0.000000\n0.000000 1.117512 15.050274\nLi Fe P H O\n4 8 8 4 32\ndirect\n0.016748 0.000000 0.750000 Li\n0.983252 0.000000 0.250000 Li\n0.849988 0.500000 0.750000 Li\n0.150012 0.500000 0.250000 Li\n0.237622 0.915946 0.500000 Fe\n0.762378 0.915946 0.000000 Fe\n0.756288 0.578551 0.001846 Fe\n0.243712 0.578551 0.501846 Fe\n0.756288 0.421449 0.498154 Fe\n0.243712 0.421449 0.998154 Fe\n0.237622 0.084054 0.000000 Fe\n0.762378 0.084054 0.500000 Fe\n0.261865 0.768587 0.889228 P\n0.738135 0.768587 0.389228 P\n0.732009 0.736021 0.619840 P\n0.267991 0.736021 0.119840 P\n0.732009 0.263979 0.880160 P\n0.267991 0.263979 0.380160 P\n0.261865 0.231413 0.610772 P\n0.738135 0.231413 0.110772 P\n0.441056 0.762447 0.754439 H\n0.558944 0.762447 0.254439 H\n0.441056 0.237553 0.745561 H\n0.558944 0.237553 0.245561 H\n0.407344 0.913197 0.921690 O\n0.592656 0.913197 0.421690 O\n0.891253 0.890519 0.592720 O\n0.966562 0.762268 0.920277 O\n0.255855 0.793218 0.784051 O\n0.108747 0.890519 0.092720 O\n0.033438 0.762268 0.420277 O\n0.698253 0.714780 0.722003 O\n0.744145 0.793218 0.284051 O\n0.449032 0.741078 0.577767 O\n0.411204 0.612629 0.916554 O\n0.301747 0.714780 0.222003 O\n0.550968 0.741078 0.077767 O\n0.893584 0.587772 0.590553 O\n0.588796 0.612629 0.416554 O\n0.893584 0.412228 0.909447 O\n0.106416 0.587772 0.090553 O\n0.411204 0.387371 0.583446 O\n0.106416 0.412228 0.409447 O\n0.449032 0.258922 0.922233 O\n0.698253 0.285220 0.777997 O\n0.588796 0.387371 0.083446 O\n0.550968 0.258922 0.422233 O\n0.255855 0.206782 0.715949 O\n0.301747 0.285220 0.277997 O\n0.966562 0.237732 0.579723 O\n0.891253 0.109481 0.907280 O\n0.744145 0.206782 0.215949 O\n0.033438 0.237732 0.079723 O\n0.108747 0.109481 0.407280 O\n0.407344 0.086803 0.578310 O\n0.592656 0.086803 0.078310 O\n",
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"formula_full": "Li4 Fe8 P8 H4 O32",
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{
"id": "mp-764707",
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"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n6.091423 0.000000 0.000000\n0.000000 10.446973 0.000000\n0.000000 0.023740 14.310216\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.749985 0.998547 0.333222 Li\n0.249387 0.999610 0.000386 Li\n0.750613 0.999610 0.000386 Li\n0.249555 0.998448 0.666608 Li\n0.750445 0.998448 0.666608 Li\n0.250015 0.998547 0.333222 Li\n0.249930 0.501129 0.499740 Li\n0.750070 0.501129 0.499740 Li\n0.249442 0.500998 0.833022 Li\n0.750558 0.500998 0.833022 Li\n0.249758 0.501526 0.166985 Li\n0.750242 0.501526 0.166985 Li\n0.500000 0.218308 0.840522 Mn\n0.000000 0.281302 0.340356 Mn\n0.000000 0.281063 0.673406 Mn\n0.500000 0.720106 0.993099 Mn\n0.500000 0.219358 0.506695 Fe\n0.500000 0.218698 0.173825 Fe\n0.000000 0.280315 0.007720 Fe\n0.500000 0.719696 0.658585 Fe\n0.500000 0.721465 0.328086 Co\n0.000000 0.781081 0.161015 Co\n0.000000 0.779207 0.493593 Co\n0.000000 0.779021 0.826432 Co\n0.000000 0.093634 0.193006 P\n0.000000 0.092689 0.862009 P\n0.000000 0.092718 0.526660 P\n0.500000 0.407796 0.693906 P\n0.500000 0.406707 0.360897 P\n0.500000 0.404961 0.027932 P\n0.000000 0.596726 0.638927 P\n0.000000 0.594178 0.971659 P\n0.000000 0.597183 0.305165 P\n0.500000 0.905736 0.140304 P\n0.500000 0.904436 0.805095 P\n0.500000 0.904474 0.472716 P\n0.500000 0.041391 0.762799 O\n0.500000 0.041748 0.431531 O\n0.500000 0.042305 0.098861 O\n0.000000 0.095136 0.419593 O\n0.000000 0.096548 0.085858 O\n0.000000 0.096294 0.754713 O\n0.200648 0.163540 0.906787 O\n0.799352 0.163540 0.906787 O\n0.202167 0.163205 0.570439 O\n0.797833 0.163205 0.570439 O\n0.202048 0.163869 0.237095 O\n0.797952 0.163869 0.237095 O\n0.699930 0.336355 0.406867 O\n0.300070 0.336355 0.406867 O\n0.701493 0.337482 0.738766 O\n0.298507 0.337482 0.738766 O\n0.701574 0.333366 0.071612 O\n0.298426 0.333366 0.071612 O\n0.500000 0.403346 0.586781 O\n0.500000 0.404514 0.920878 O\n0.500000 0.401898 0.254269 O\n0.000000 0.459894 0.597052 O\n0.000000 0.456268 0.932067 O\n0.000000 0.459532 0.264267 O\n0.500000 0.544914 0.734527 O\n0.500000 0.541434 0.070224 O\n0.500000 0.545795 0.400842 O\n0.000000 0.597865 0.746483 O\n0.000000 0.598375 0.079166 O\n0.000000 0.598345 0.413149 O\n0.200618 0.664822 0.926121 O\n0.202117 0.667576 0.594918 O\n0.202535 0.666809 0.260606 O\n0.797465 0.666809 0.260606 O\n0.799382 0.664822 0.926121 O\n0.797883 0.667576 0.594918 O\n0.704001 0.835435 0.096521 O\n0.295999 0.835435 0.096521 O\n0.703485 0.833665 0.762015 O\n0.702698 0.833462 0.428016 O\n0.296515 0.833665 0.762015 O\n0.297302 0.833462 0.428016 O\n0.500000 0.902490 0.248177 O\n0.500000 0.902775 0.579953 O\n0.500000 0.904579 0.912378 O\n0.000000 0.955579 0.234741 O\n0.000000 0.954213 0.901921 O\n0.000000 0.954209 0.568717 O\n",
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{
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"structure_string": "Ca1 Hf8 N8 O4\n1.0\n5.807058 -0.084763 -0.034437\n2.979786 -5.061970 -0.032668\n2.963482 1.608224 -10.494486\nCa Hf N O\n1 8 8 4\ndirect\n0.567990 0.337188 0.333630 Ca\n0.899680 0.664880 0.311627 Hf\n0.264372 0.780665 0.726750 Hf\n0.425647 0.260751 0.024792 Hf\n0.603338 0.158987 0.741160 Hf\n0.150009 0.049325 0.448752 Hf\n0.074633 0.900983 0.009421 Hf\n0.747567 0.580094 0.016043 Hf\n0.928924 0.484428 0.740877 Hf\n0.183003 0.324152 0.349924 N\n0.705405 0.272844 0.101734 N\n0.323007 0.437655 0.651856 N\n0.525925 0.718134 0.402104 N\n0.493439 0.509703 0.877525 N\n0.013519 0.618775 0.110236 N\n0.993144 0.124573 0.650365 N\n0.853402 0.880203 0.876141 N\n0.367899 0.939857 0.073695 O\n0.913337 0.965632 0.382015 O\n0.155955 0.241934 0.883605 O\n0.628808 0.803906 0.681769 O\n",
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