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{
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{
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"structure_string": "Al8 Cr4 Cl32\n1.0\n6.190347 0.000000 0.000000\n0.000000 13.785083 0.000000\n0.000000 0.000000 15.719869\nAl Cr Cl\n8 4 32\ndirect\n0.884548 0.090254 0.742568 Al\n0.604062 0.909794 0.005406 Al\n0.395938 0.409794 0.994594 Al\n0.884548 0.590254 0.757432 Al\n0.604062 0.409794 0.494594 Al\n0.115452 0.090254 0.242568 Al\n0.115452 0.590254 0.257432 Al\n0.395938 0.909794 0.505406 Al\n0.245757 0.000005 0.873450 Cr\n0.754243 0.500005 0.126550 Cr\n0.754243 0.000005 0.373450 Cr\n0.245757 0.500005 0.626550 Cr\n0.001334 0.665875 0.365135 Cl\n0.948980 0.411187 0.498419 Cl\n0.460467 0.089194 0.247052 Cl\n0.539533 0.589194 0.752948 Cl\n0.464852 0.557857 0.510810 Cl\n0.051020 0.411187 0.998419 Cl\n0.538061 0.854701 0.384216 Cl\n0.027836 0.644789 0.636441 Cl\n0.998666 0.665875 0.865135 Cl\n0.460467 0.589194 0.252948 Cl\n0.025230 0.942101 0.757812 Cl\n0.464852 0.057857 0.989190 Cl\n0.051020 0.911187 0.501581 Cl\n0.486966 0.835033 0.113148 Cl\n0.535148 0.557857 0.010810 Cl\n0.513034 0.335033 0.886852 Cl\n0.974770 0.942101 0.257812 Cl\n0.513034 0.835033 0.613148 Cl\n0.461939 0.854701 0.884216 Cl\n0.461939 0.354701 0.615784 Cl\n0.001334 0.165875 0.134865 Cl\n0.025230 0.442101 0.742188 Cl\n0.027836 0.144789 0.863559 Cl\n0.535148 0.057857 0.489190 Cl\n0.974770 0.442101 0.242188 Cl\n0.972164 0.644789 0.136441 Cl\n0.538061 0.354701 0.115784 Cl\n0.998666 0.165875 0.634865 Cl\n0.486966 0.335033 0.386852 Cl\n0.539533 0.089194 0.747052 Cl\n0.948980 0.911187 0.001581 Cl\n0.972164 0.144789 0.363559 Cl\n",
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{
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{
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{
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"structure_string": "Y8 Ti8 O28\n1.0\n7.365875 0.000000 0.000000\n0.106110 7.396670 0.000000\n0.209573 0.717184 10.670669\nY Ti O\n8 8 28\ndirect\n0.008541 0.995787 0.005491 Y\n0.721625 0.255618 0.754331 Y\n0.984531 0.030319 0.510634 Y\n0.290556 0.215792 0.242029 Y\n0.225911 0.761847 0.763269 Y\n0.476017 0.993379 0.528390 Y\n0.515183 0.500096 0.006319 Y\n0.802248 0.698234 0.245915 Y\n0.521296 0.945343 0.018520 Ti\n0.701927 0.730733 0.724960 Ti\n0.756726 0.212008 0.244971 Ti\n0.014591 0.475794 0.985678 Ti\n0.978221 0.538273 0.565629 Ti\n0.236701 0.724460 0.326171 Ti\n0.261416 0.279865 0.716110 Ti\n0.539296 0.503367 0.463694 Ti\n0.296498 0.036170 0.071313 O\n0.601786 0.108494 0.359448 O\n0.816103 0.995014 0.160203 O\n0.724498 0.995981 0.646679 O\n0.727064 0.532679 0.606070 O\n0.990887 0.198771 0.320861 O\n0.026350 0.275497 0.874633 O\n0.042734 0.721733 0.929558 O\n0.971708 0.285178 0.601409 O\n0.196648 0.516215 0.660050 O\n0.219947 0.424070 0.070664 O\n0.244452 0.959465 0.394622 O\n0.219811 0.033686 0.667072 O\n0.420686 0.307838 0.838325 O\n0.458886 0.289868 0.590508 O\n0.447799 0.794298 0.898073 O\n0.542945 0.741492 0.401204 O\n0.552457 0.268797 0.137585 O\n0.560029 0.738239 0.124537 O\n0.729285 0.542399 0.850736 O\n0.714004 0.440387 0.358491 O\n0.843962 0.458923 0.111653 O\n0.111212 0.750558 0.190788 O\n0.005484 0.690074 0.418801 O\n0.955208 0.751950 0.660949 O\n0.320321 0.477008 0.363597 O\n0.478403 0.737500 0.652245 O\n0.718158 0.042882 0.916257 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:46:57.763628Z",
"structure_string": "K4 N4 O12\n1.0\n5.675594 0.000000 0.000000\n0.000000 6.959635 0.000000\n0.000000 0.000000 7.799468\nK N O\n4 4 12\ndirect\n0.250000 0.809003 0.983520 K\n0.750000 0.190997 0.016480 K\n0.750000 0.309003 0.516480 K\n0.250000 0.690997 0.483520 K\n0.250000 0.359331 0.845962 N\n0.750000 0.640669 0.154038 N\n0.750000 0.859331 0.654038 N\n0.250000 0.140669 0.345962 N\n0.556332 0.935180 0.700250 O\n0.056332 0.064820 0.299750 O\n0.443668 0.435180 0.799750 O\n0.943668 0.564820 0.200250 O\n0.250000 0.288021 0.441068 O\n0.750000 0.711979 0.558932 O\n0.750000 0.788021 0.058932 O\n0.250000 0.211979 0.941068 O\n0.443668 0.064820 0.299750 O\n0.943668 0.935180 0.700250 O\n0.556332 0.564820 0.200250 O\n0.056332 0.435180 0.799750 O\n",
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"elements": [
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{
"id": "mp-504670",
"created_at": "2022-09-04T14:46:57.765694Z",
"structure_string": "Li4 Ca8 Ge12\n1.0\n4.419848 0.000000 0.000000\n0.000000 10.761225 0.000000\n0.000000 0.000000 11.378922\nLi Ca Ge\n4 8 12\ndirect\n0.500000 0.142091 0.718980 Li\n0.500000 0.857909 0.281020 Li\n0.000000 0.357909 0.218980 Li\n0.000000 0.642091 0.781020 Li\n0.000000 0.052493 0.147227 Ca\n0.500000 0.178655 0.426447 Ca\n0.000000 0.947507 0.852773 Ca\n0.000000 0.678655 0.073553 Ca\n0.500000 0.821345 0.573553 Ca\n0.500000 0.552493 0.352773 Ca\n0.000000 0.321345 0.926447 Ca\n0.500000 0.447507 0.647227 Ca\n0.000000 0.256899 0.642258 Ge\n0.500000 0.472036 0.105230 Ge\n0.500000 0.243101 0.142258 Ge\n0.500000 0.527964 0.894770 Ge\n0.500000 0.111513 0.954447 Ge\n0.500000 0.756899 0.857742 Ge\n0.000000 0.027964 0.605230 Ge\n0.000000 0.611513 0.545553 Ge\n0.000000 0.743101 0.357742 Ge\n0.000000 0.388487 0.454447 Ge\n0.500000 0.888487 0.045553 Ge\n0.000000 0.972036 0.394770 Ge\n",
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{
"id": "mp-753308",
"created_at": "2022-09-04T14:46:57.766499Z",
"structure_string": "Li12 Mn4 O8 F8\n1.0\n5.057534 -0.000001 0.140029\n-1.600918 6.007201 4.814584\n-1.600915 -6.007202 4.814586\nLi Mn O F\n12 4 8 8\ndirect\n0.249994 0.305990 0.194017 Li\n0.250005 0.805983 0.694010 Li\n0.749995 0.694018 0.805989 Li\n0.750005 0.194011 0.305982 Li\n0.250003 0.569908 0.930106 Li\n0.249995 0.069893 0.430093 Li\n0.750004 0.430107 0.069907 Li\n0.749996 0.930093 0.569892 Li\n0.250000 0.184506 0.815492 Li\n0.249998 0.684502 0.315496 Li\n0.750000 0.315491 0.684506 Li\n0.749999 0.815496 0.184502 Li\n0.250002 0.945601 0.054403 Mn\n0.750003 0.554394 0.445601 Mn\n0.250013 0.445561 0.554451 Mn\n0.750001 0.054445 0.945558 Mn\n0.014744 0.557142 0.676269 O\n0.014720 0.057154 0.176241 O\n0.485275 0.823764 0.942849 O\n0.485256 0.323729 0.442858 O\n0.514743 0.176270 0.057142 O\n0.514721 0.676239 0.557153 O\n0.985278 0.442847 0.323763 O\n0.985257 0.942859 0.823732 O\n0.004937 0.685501 0.066497 F\n0.004943 0.185503 0.566501 F\n0.504936 0.566498 0.185500 F\n0.504941 0.066500 0.685501 F\n0.495057 0.433499 0.814495 F\n0.495062 0.933501 0.314497 F\n0.995054 0.314495 0.933496 F\n0.995062 0.814500 0.433500 F\n",
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"updated_at": "2021-11-28T01:37:45.422000Z",
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}
]
}