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{
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{
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{
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"structure_string": "Nd12 Al86 Mo8\n1.0\n5.552252 -9.616783 0.000000\n5.552252 9.616783 0.000000\n0.000000 0.000000 17.826314\nNd Al Mo\n12 86 8\ndirect\n0.470291 0.470291 0.904861 Nd\n0.529709 0.000000 0.904861 Nd\n0.000000 0.529709 0.904861 Nd\n0.529709 0.529709 0.095139 Nd\n0.470291 0.000000 0.095139 Nd\n0.000000 0.470291 0.095139 Nd\n0.529709 0.529709 0.404861 Nd\n0.470291 0.000000 0.404861 Nd\n0.000000 0.470291 0.404861 Nd\n0.470291 0.470291 0.595139 Nd\n0.529709 0.000000 0.595139 Nd\n0.000000 0.529709 0.595139 Nd\n0.841800 0.234518 0.834949 Al\n0.765482 0.607282 0.834949 Al\n0.392718 0.158200 0.834949 Al\n0.234518 0.841800 0.834949 Al\n0.607282 0.765482 0.834949 Al\n0.158200 0.392718 0.834949 Al\n0.158200 0.765482 0.165051 Al\n0.234518 0.392718 0.165051 Al\n0.607282 0.841800 0.165051 Al\n0.765482 0.158200 0.165051 Al\n0.392718 0.234518 0.165051 Al\n0.841800 0.607282 0.165051 Al\n0.158200 0.765482 0.334949 Al\n0.234518 0.392718 0.334949 Al\n0.607282 0.841800 0.334949 Al\n0.765482 0.158200 0.334949 Al\n0.392718 0.234518 0.334949 Al\n0.841800 0.607282 0.334949 Al\n0.841800 0.234518 0.665051 Al\n0.765482 0.607282 0.665051 Al\n0.392718 0.158200 0.665051 Al\n0.234518 0.841800 0.665051 Al\n0.607282 0.765482 0.665051 Al\n0.158200 0.392718 0.665051 Al\n0.843016 0.843016 0.384293 Al\n0.156984 0.000000 0.384293 Al\n0.000000 0.156984 0.384293 Al\n0.156984 0.156984 0.615707 Al\n0.843016 0.000000 0.615707 Al\n0.000000 0.843016 0.615707 Al\n0.156984 0.156984 0.884293 Al\n0.843016 0.000000 0.884293 Al\n0.000000 0.843016 0.884293 Al\n0.843016 0.843016 0.115707 Al\n0.156984 0.000000 0.115707 Al\n0.000000 0.156984 0.115707 Al\n0.749455 0.749455 0.968658 Al\n0.250545 0.000000 0.968658 Al\n0.000000 0.250545 0.968658 Al\n0.250545 0.250545 0.031342 Al\n0.749455 0.000000 0.031342 Al\n0.000000 0.749455 0.031342 Al\n0.250545 0.250545 0.468658 Al\n0.749455 0.000000 0.468658 Al\n0.000000 0.749455 0.468658 Al\n0.749455 0.749455 0.531342 Al\n0.250545 0.000000 0.531342 Al\n0.000000 0.250545 0.531342 Al\n0.852036 0.448658 0.750000 Al\n0.551342 0.403378 0.750000 Al\n0.596622 0.147964 0.750000 Al\n0.448658 0.852036 0.750000 Al\n0.403378 0.551342 0.750000 Al\n0.147964 0.596622 0.750000 Al\n0.147964 0.551342 0.250000 Al\n0.448658 0.596622 0.250000 Al\n0.403378 0.852036 0.250000 Al\n0.551342 0.147964 0.250000 Al\n0.596622 0.448658 0.250000 Al\n0.852036 0.403378 0.250000 Al\n0.752965 0.247035 0.000000 Al\n0.752965 0.505930 0.000000 Al\n0.494070 0.247035 0.000000 Al\n0.247035 0.752965 0.000000 Al\n0.505930 0.752965 0.000000 Al\n0.247035 0.494070 0.000000 Al\n0.247035 0.752965 0.500000 Al\n0.247035 0.494070 0.500000 Al\n0.505930 0.752965 0.500000 Al\n0.752965 0.247035 0.500000 Al\n0.494070 0.247035 0.500000 Al\n0.752965 0.505930 0.500000 Al\n0.666667 0.333333 0.872764 Al\n0.333333 0.666667 0.872764 Al\n0.333333 0.666667 0.127236 Al\n0.666667 0.333333 0.127236 Al\n0.333333 0.666667 0.372764 Al\n0.666667 0.333333 0.372764 Al\n0.666667 0.333333 0.627236 Al\n0.333333 0.666667 0.627236 Al\n0.854129 0.854129 0.750000 Al\n0.145871 0.000000 0.750000 Al\n0.000000 0.145871 0.750000 Al\n0.145871 0.145871 0.250000 Al\n0.854129 0.000000 0.250000 Al\n0.000000 0.854129 0.250000 Al\n0.268570 0.268570 0.750000 Mo\n0.731430 0.000000 0.750000 Mo\n0.000000 0.731430 0.750000 Mo\n0.731430 0.731430 0.250000 Mo\n0.268570 0.000000 0.250000 Mo\n0.000000 0.268570 0.250000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n",
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{
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"formula_full": "Li4 Co2 S4 O16",
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{
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"structure_string": "Mn6 O1 F11\n1.0\n3.534725 -10.385854 0.000000\n3.534725 10.385854 0.000000\n0.000000 0.000000 3.291006\nMn O F\n6 1 11\ndirect\n0.001059 0.998941 0.000000 Mn\n0.171065 0.828935 0.500000 Mn\n0.493551 0.506449 0.500000 Mn\n0.343233 0.656767 0.000000 Mn\n0.662457 0.337543 0.000000 Mn\n0.831880 0.168120 0.500000 Mn\n0.400571 0.599429 0.500000 O\n0.067294 0.932706 0.500000 F\n0.694239 0.693918 0.000000 F\n0.971121 0.637061 0.000000 F\n0.306082 0.305761 0.000000 F\n0.637365 0.975073 0.000000 F\n0.274479 0.725521 0.500000 F\n0.594158 0.405842 0.500000 F\n0.727755 0.272245 0.500000 F\n0.024927 0.362635 0.000000 F\n0.362939 0.028879 0.000000 F\n0.935435 0.064565 0.500000 F\n",
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{
"id": "mp-616215",
"created_at": "2022-09-04T14:46:41.607213Z",
"structure_string": "Fe4 C12 Se4 O12\n1.0\n6.653617 0.000000 0.000000\n1.686185 7.575605 0.000000\n3.076040 0.561954 11.483275\nFe C Se O\n4 12 4 12\ndirect\n0.366022 0.493394 0.272498 Fe\n0.633978 0.506606 0.727502 Fe\n0.792378 0.174941 0.769319 Fe\n0.207622 0.825059 0.230681 Fe\n0.402108 0.289688 0.356439 C\n0.154370 0.798436 0.093262 C\n0.845630 0.201564 0.906738 C\n0.548969 0.099872 0.830774 C\n0.364705 0.486562 0.790640 C\n0.037135 0.034392 0.265223 C\n0.962865 0.965608 0.734777 C\n0.664187 0.594236 0.854141 C\n0.335813 0.405764 0.145859 C\n0.597892 0.710312 0.643561 C\n0.635295 0.513438 0.209360 C\n0.451031 0.900128 0.169226 C\n0.005672 0.627841 0.352971 Se\n0.994328 0.372159 0.647029 Se\n0.272874 0.712756 0.416594 Se\n0.727126 0.287244 0.583406 Se\n0.190679 0.471714 0.831695 O\n0.393012 0.047973 0.868252 O\n0.929038 0.171298 0.287396 O\n0.428715 0.154468 0.407675 O\n0.606988 0.952027 0.131748 O\n0.070962 0.828702 0.712604 O\n0.680507 0.655632 0.935212 O\n0.809321 0.528286 0.168305 O\n0.878060 0.218482 0.995398 O\n0.121940 0.781518 0.004602 O\n0.571285 0.845532 0.592325 O\n0.319493 0.344368 0.064788 O\n",
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"formula_full": "Fe4 C12 Se4 O12",
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}
]
}