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{
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{
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{
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"structure_string": "Hf2 Cu1 Sb3\n1.0\n3.913674 0.000000 0.000000\n0.000000 3.913674 0.000000\n0.000000 0.000000 8.585317\nHf Cu Sb\n2 1 3\ndirect\n0.000000 0.500000 0.737232 Hf\n0.500000 0.000000 0.262768 Hf\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.377400 Sb\n0.500000 0.000000 0.622600 Sb\n",
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},
{
"id": "mp-1214157",
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"structure_string": "Ca5 Ni9 As7\n1.0\n0.000000 0.000000 -3.991377\n-4.982943 -8.630710 0.000000\n-4.982943 8.630710 0.000000\nCa Ni As\n5 9 7\ndirect\n0.500000 0.768114 0.888957 Ca\n0.500000 0.120844 0.231886 Ca\n0.500000 0.111043 0.879156 Ca\n0.000000 0.666667 0.333333 Ca\n0.500000 0.333333 0.666667 Ca\n0.000000 0.579379 0.954662 Ni\n0.000000 0.375283 0.420621 Ni\n0.000000 0.045338 0.624717 Ni\n0.000000 0.866331 0.170807 Ni\n0.000000 0.304477 0.133669 Ni\n0.000000 0.829193 0.695523 Ni\n0.500000 0.944244 0.396211 Ni\n0.500000 0.451967 0.055756 Ni\n0.500000 0.603789 0.548033 Ni\n0.500000 0.715921 0.141576 As\n0.500000 0.425656 0.284079 As\n0.500000 0.858424 0.574344 As\n0.000000 0.000000 0.000000 As\n0.000000 0.575330 0.671837 As\n0.000000 0.096507 0.424670 As\n0.000000 0.328163 0.903493 As\n",
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{
"id": "mp-559577",
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"structure_string": "Na20 U16 W10 O88\n1.0\n11.937802 12.517687 0.000000\n-11.937802 12.517687 0.000000\n0.000000 0.560765 6.815896\nNa U W O\n20 16 10 88\ndirect\n0.872121 0.627466 0.316974 Na\n0.957706 0.546822 0.793990 Na\n0.952856 0.047144 0.250000 Na\n0.127879 0.372534 0.683026 Na\n0.788996 0.704895 0.827338 Na\n0.627466 0.872121 0.816974 Na\n0.392611 0.607389 0.250000 Na\n0.546822 0.957706 0.293990 Na\n0.893796 0.106204 0.750000 Na\n0.704895 0.788996 0.327338 Na\n0.106204 0.893796 0.250000 Na\n0.042294 0.453178 0.206010 Na\n0.372534 0.127879 0.183026 Na\n0.547416 0.452584 0.250000 Na\n0.211004 0.295105 0.172662 Na\n0.047144 0.952856 0.750000 Na\n0.453178 0.042294 0.706010 Na\n0.607389 0.392611 0.750000 Na\n0.452584 0.547416 0.750000 Na\n0.295105 0.211004 0.672662 Na\n0.502137 0.250679 0.484185 U\n0.592518 0.661154 0.045255 U\n0.250687 0.998278 0.904958 U\n0.001722 0.749313 0.595042 U\n0.998278 0.250687 0.404958 U\n0.749313 0.001722 0.095042 U\n0.838590 0.906321 0.626335 U\n0.661154 0.592518 0.545255 U\n0.407482 0.338846 0.954745 U\n0.749321 0.497863 0.015815 U\n0.906321 0.838590 0.126335 U\n0.497863 0.749321 0.515815 U\n0.093679 0.161410 0.873665 U\n0.161410 0.093679 0.373665 U\n0.338846 0.407482 0.454745 U\n0.250679 0.502137 0.984185 U\n0.662411 0.067373 0.622136 W\n0.569541 0.168988 0.963819 W\n0.932627 0.337589 0.877864 W\n0.430459 0.831012 0.036181 W\n0.337589 0.932627 0.377864 W\n0.168988 0.569541 0.463819 W\n0.831012 0.430459 0.536181 W\n0.246384 0.753616 0.250000 W\n0.067373 0.662411 0.122136 W\n0.753616 0.246384 0.750000 W\n0.667578 0.250643 0.914379 O\n0.742634 0.000164 0.723282 O\n0.670887 0.930291 0.125874 O\n0.999836 0.257366 0.776718 O\n0.805743 0.431156 0.280451 O\n0.654650 0.090211 0.932930 O\n0.159039 0.592251 0.147264 O\n0.928122 0.172182 0.442946 O\n0.593525 0.680295 0.365160 O\n0.981681 0.915008 0.109254 O\n0.814206 0.935522 0.320029 O\n0.069709 0.329113 0.374126 O\n0.086257 0.173341 0.550503 O\n0.570010 0.331195 0.475572 O\n0.064478 0.185794 0.179971 O\n0.156476 0.754061 0.125119 O\n0.749357 0.332422 0.585621 O\n0.689895 0.065786 0.359610 O\n0.754061 0.156476 0.625119 O\n0.407749 0.840961 0.352736 O\n0.245939 0.843524 0.374881 O\n0.406475 0.319705 0.634840 O\n0.897712 0.507029 0.513970 O\n0.511867 0.256340 0.855099 O\n0.418785 0.478480 0.421066 O\n0.492971 0.102288 0.986030 O\n0.934214 0.310105 0.140390 O\n0.438550 0.317296 0.258991 O\n0.592251 0.159039 0.647264 O\n0.682704 0.561450 0.241009 O\n0.826659 0.913743 0.949497 O\n0.317296 0.438550 0.758991 O\n0.760077 0.833190 0.646131 O\n0.102288 0.492971 0.486030 O\n0.071878 0.827818 0.557054 O\n0.172182 0.928122 0.942946 O\n0.090211 0.654650 0.432930 O\n0.830474 0.566834 0.000221 O\n0.331195 0.570010 0.975572 O\n0.744218 0.660197 0.512475 O\n0.239923 0.166810 0.353869 O\n0.840961 0.407749 0.852736 O\n0.843524 0.245939 0.874881 O\n0.935522 0.814206 0.820029 O\n0.310105 0.934214 0.640390 O\n0.431156 0.805743 0.780451 O\n0.827818 0.071878 0.057054 O\n0.930291 0.670887 0.625874 O\n0.668805 0.429990 0.024428 O\n0.478480 0.418785 0.921066 O\n0.909789 0.345350 0.567070 O\n0.000164 0.742634 0.223282 O\n0.084992 0.018319 0.390746 O\n0.065786 0.689895 0.859610 O\n0.257366 0.999836 0.276718 O\n0.488133 0.743660 0.144901 O\n0.329113 0.069709 0.874126 O\n0.256340 0.511867 0.355099 O\n0.185794 0.064478 0.679971 O\n0.586415 0.999049 0.631956 O\n0.561450 0.682704 0.741009 O\n0.339803 0.255782 0.987525 O\n0.018319 0.084992 0.890746 O\n0.000951 0.413585 0.868044 O\n0.999049 0.586415 0.131956 O\n0.194257 0.568844 0.719549 O\n0.521520 0.581215 0.078934 O\n0.433166 0.169526 0.499779 O\n0.166810 0.239923 0.853869 O\n0.743660 0.488133 0.644901 O\n0.581215 0.521520 0.578934 O\n0.169526 0.433166 0.999779 O\n0.913743 0.826659 0.449497 O\n0.429990 0.668805 0.524428 O\n0.680295 0.593525 0.865160 O\n0.915008 0.981681 0.609254 O\n0.332422 0.749357 0.085621 O\n0.568844 0.194257 0.219549 O\n0.255782 0.339803 0.487525 O\n0.566834 0.830474 0.500221 O\n0.833190 0.760077 0.146131 O\n0.413585 0.000951 0.368044 O\n0.319705 0.406475 0.134840 O\n0.250643 0.667578 0.414379 O\n0.173341 0.086257 0.050503 O\n0.507029 0.897712 0.013970 O\n0.345350 0.909789 0.067070 O\n0.660197 0.744218 0.012475 O\n",
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{
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"structure_string": "Tl4 Ni2 C8 N8\n1.0\n7.384986 0.000000 0.000000\n0.000000 6.313242 0.000000\n0.000000 3.746277 9.127981\nTl Ni C N\n4 2 8 8\ndirect\n0.347297 0.697927 0.579787 Tl\n0.152703 0.697927 0.079787 Tl\n0.847297 0.302073 0.920213 Tl\n0.652703 0.302073 0.420213 Tl\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.154187 0.249373 0.440943 C\n0.501109 0.005027 0.811620 C\n0.498891 0.994973 0.188380 C\n0.845813 0.750627 0.559057 C\n0.001109 0.994973 0.688380 C\n0.654187 0.750627 0.059057 C\n0.998891 0.005027 0.311620 C\n0.345813 0.249373 0.940943 C\n0.498230 0.990820 0.308498 N\n0.745167 0.594029 0.597530 N\n0.501770 0.009180 0.691502 N\n0.998230 0.009180 0.191502 N\n0.754833 0.594029 0.097530 N\n0.001770 0.990820 0.808498 N\n0.245167 0.405971 0.902470 N\n0.254833 0.405971 0.402470 N\n",
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{
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"structure_string": "Ti10 Cu2 Sb4\n1.0\n-5.227132 5.227132 2.566306\n5.227132 -5.227132 2.566306\n5.227132 5.227132 -2.566306\nTi Cu Sb\n10 2 4\ndirect\n0.574096 0.714652 0.288748 Ti\n0.425904 0.285348 0.711252 Ti\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.714652 0.425904 0.140556 Ti\n0.285348 0.574096 0.859444 Ti\n0.925904 0.214652 0.140556 Ti\n0.214652 0.074096 0.288748 Ti\n0.074096 0.785348 0.859444 Ti\n0.785348 0.925904 0.711252 Ti\n0.750000 0.750000 0.000000 Cu\n0.250000 0.250000 0.000000 Cu\n0.335959 0.835959 0.171918 Sb\n0.164041 0.335959 0.500000 Sb\n0.664041 0.164041 0.828082 Sb\n0.835959 0.664041 0.500000 Sb\n",
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{
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"structure_string": "Ti32 Se12\n1.0\n1.720325 12.770973 0.000000\n-1.720325 12.770973 0.000000\n0.000000 10.526837 16.700308\nTi Se\n32 12\ndirect\n0.925525 0.925525 0.567112 Ti\n0.298106 0.298106 0.464257 Ti\n0.831521 0.831521 0.340955 Ti\n0.209611 0.209611 0.869979 Ti\n0.701894 0.701894 0.535743 Ti\n0.261700 0.261700 0.043587 Ti\n0.934702 0.934702 0.054338 Ti\n0.489808 0.489808 0.916793 Ti\n0.775545 0.775545 0.603949 Ti\n0.095393 0.095393 0.586701 Ti\n0.487976 0.487976 0.425208 Ti\n0.168479 0.168479 0.659045 Ti\n0.074475 0.074475 0.432888 Ti\n0.738300 0.738300 0.956413 Ti\n0.512024 0.512024 0.574792 Ti\n0.650705 0.650705 0.803754 Ti\n0.349295 0.349295 0.196246 Ti\n0.666362 0.666362 0.153196 Ti\n0.562035 0.562035 0.712908 Ti\n0.790389 0.790389 0.130021 Ti\n0.333638 0.333638 0.846804 Ti\n0.510192 0.510192 0.083207 Ti\n0.872284 0.872284 0.933200 Ti\n0.437964 0.437964 0.287092 Ti\n0.046019 0.046019 0.282674 Ti\n0.127716 0.127716 0.066800 Ti\n0.802531 0.802531 0.754330 Ti\n0.197469 0.197469 0.245670 Ti\n0.953981 0.953981 0.717326 Ti\n0.904607 0.904607 0.413299 Ti\n0.065298 0.065298 0.945662 Ti\n0.224455 0.224455 0.396051 Ti\n0.757982 0.757982 0.280751 Se\n0.392515 0.392515 0.683929 Se\n0.367460 0.367460 0.530585 Se\n0.630437 0.630437 0.964393 Se\n0.070201 0.070201 0.808637 Se\n0.369563 0.369563 0.035607 Se\n0.445367 0.445367 0.824004 Se\n0.607485 0.607485 0.316071 Se\n0.554633 0.554633 0.175996 Se\n0.929799 0.929799 0.191363 Se\n0.242018 0.242018 0.719249 Se\n0.632540 0.632540 0.469415 Se\n",
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