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{
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{
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"structure_string": "Li3 Fe8 B8 O24\n1.0\n5.297097 0.000000 0.000000\n0.040533 9.091948 0.000000\n0.034126 0.103167 10.123569\nLi Fe B O\n3 8 8 24\ndirect\n0.651926 0.985753 0.833158 Li\n0.156680 0.490234 0.843981 Li\n0.645390 0.006531 0.333780 Li\n0.846686 0.830050 0.119740 Fe\n0.158433 0.836185 0.371961 Fe\n0.662778 0.654313 0.875653 Fe\n0.345273 0.670629 0.621973 Fe\n0.661606 0.343251 0.369156 Fe\n0.850711 0.171051 0.621866 Fe\n0.335868 0.335780 0.119375 Fe\n0.161334 0.153745 0.874115 Fe\n0.838862 0.831166 0.627260 B\n0.661573 0.670805 0.371950 B\n0.165886 0.829978 0.872221 B\n0.338247 0.668259 0.119188 B\n0.666559 0.327712 0.870791 B\n0.344896 0.332347 0.623945 B\n0.837614 0.170332 0.129241 B\n0.174908 0.170338 0.370106 B\n0.747932 0.973311 0.639110 O\n0.912552 0.833489 0.917607 O\n0.305648 0.955164 0.869491 O\n0.775933 0.799779 0.322787 O\n0.690156 0.715596 0.670861 O\n0.193598 0.786239 0.162783 O\n0.076081 0.806219 0.577067 O\n0.584692 0.691999 0.077391 O\n0.775497 0.535914 0.361857 O\n0.426828 0.684855 0.430676 O\n0.268468 0.696440 0.828912 O\n0.803405 0.452353 0.868242 O\n0.235498 0.531082 0.112066 O\n0.689386 0.290354 0.170689 O\n0.582656 0.307162 0.565339 O\n0.262458 0.469620 0.650850 O\n0.416446 0.324234 0.918581 O\n0.916878 0.181906 0.412457 O\n0.770795 0.194212 0.822942 O\n0.296618 0.299763 0.326939 O\n0.198935 0.211819 0.660727 O\n0.745749 0.031315 0.144228 O\n0.073431 0.196093 0.076323 O\n0.294081 0.039471 0.370825 O\n",
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"updated_at": "2021-11-28T01:34:39.363000Z",
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},
{
"id": "mp-1210727",
"created_at": "2022-09-04T14:42:28.669675Z",
"structure_string": "Nd12 Lu8 Ga12 O48\n1.0\n-6.501028 6.501028 6.501028\n6.501028 -6.501028 6.501028\n6.501028 6.501028 -6.501028\nNd Lu Ga O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Nd\n0.750000 0.625000 0.875000 Nd\n0.750000 0.125000 0.375000 Nd\n0.125000 0.250000 0.375000 Nd\n0.375000 0.750000 0.125000 Nd\n0.250000 0.875000 0.625000 Nd\n0.875000 0.750000 0.625000 Nd\n0.625000 0.250000 0.875000 Nd\n0.375000 0.125000 0.250000 Nd\n0.625000 0.875000 0.750000 Nd\n0.125000 0.375000 0.750000 Nd\n0.875000 0.625000 0.250000 Nd\n0.000000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.473133 0.373655 0.286715 O\n0.526867 0.626345 0.713285 O\n0.586940 0.186418 0.213285 O\n0.913060 0.126345 0.599478 O\n0.286715 0.473133 0.373655 O\n0.313582 0.913060 0.286715 O\n0.413060 0.813582 0.786715 O\n0.086940 0.873655 0.400522 O\n0.713285 0.526867 0.626345 O\n0.686418 0.086940 0.713285 O\n0.026867 0.313582 0.900522 O\n0.213285 0.586940 0.186418 O\n0.126345 0.026867 0.213285 O\n0.973133 0.686418 0.099478 O\n0.786715 0.413060 0.813582 O\n0.873655 0.973133 0.786715 O\n0.599478 0.913060 0.126345 O\n0.186418 0.473133 0.599478 O\n0.400522 0.086940 0.873655 O\n0.813582 0.526867 0.400522 O\n0.900522 0.026867 0.313582 O\n0.373655 0.586940 0.900522 O\n0.099478 0.973133 0.686418 O\n0.626345 0.413060 0.099478 O\n0.373655 0.286715 0.473133 O\n0.586940 0.900522 0.373655 O\n0.626345 0.713285 0.526867 O\n0.413060 0.099478 0.626345 O\n0.126345 0.599478 0.913060 O\n0.026867 0.213285 0.126345 O\n0.873655 0.400522 0.086940 O\n0.973133 0.786715 0.873655 O\n0.313582 0.900522 0.026867 O\n0.913060 0.286715 0.313582 O\n0.686418 0.099478 0.973133 O\n0.086940 0.713285 0.686418 O\n0.186418 0.213285 0.586940 O\n0.473133 0.599478 0.186418 O\n0.813582 0.786715 0.413060 O\n0.526867 0.400522 0.813582 O\n0.286715 0.313582 0.913060 O\n0.713285 0.686418 0.086940 O\n0.213285 0.126345 0.026867 O\n0.786715 0.873655 0.973133 O\n0.900522 0.373655 0.586940 O\n0.099478 0.626345 0.413060 O\n0.599478 0.186418 0.473133 O\n0.400522 0.813582 0.526867 O\n",
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"volume": 1099.0212784334974,
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"formula_full": "Nd12 Lu8 Ga12 O48",
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"energy": -637.47974964,
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},
{
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"created_at": "2022-09-04T14:46:31.429028Z",
"structure_string": "La2 Fe2 S2 O3\n1.0\n-2.023877 2.023877 9.092222\n2.023877 -2.023877 9.092222\n2.023877 2.023877 -9.092222\nLa Fe S O\n2 2 2 3\ndirect\n0.181801 0.181801 0.000000 La\n0.818199 0.818199 0.000000 La\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.404915 0.404915 0.000000 S\n0.595085 0.595085 0.000000 S\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Mn10 P16 O56\n1.0\n9.594244 0.000000 0.000000\n4.363946 9.530726 0.000000\n3.960141 0.518703 12.372828\nMn P O\n10 16 56\ndirect\n0.190651 0.003921 0.756846 Mn\n0.610885 0.293517 0.616877 Mn\n0.257771 0.248224 0.557129 Mn\n0.742229 0.751776 0.442871 Mn\n0.809349 0.996079 0.243154 Mn\n0.389115 0.706483 0.383123 Mn\n0.606304 0.288118 0.104223 Mn\n0.236962 0.248708 0.068932 Mn\n0.763038 0.751292 0.931068 Mn\n0.393696 0.711882 0.895777 Mn\n0.639451 0.795215 0.701608 P\n0.287382 0.540006 0.600931 P\n0.909329 0.283662 0.713079 P\n0.641960 0.042929 0.547249 P\n0.358040 0.957071 0.452751 P\n0.090671 0.716338 0.286921 P\n0.712618 0.459994 0.399069 P\n0.360549 0.204785 0.298392 P\n0.651834 0.811404 0.183117 P\n0.264561 0.534965 0.100633 P\n0.857490 0.286110 0.206023 P\n0.650408 0.043891 0.036756 P\n0.349592 0.956109 0.963244 P\n0.142510 0.713890 0.793977 P\n0.735439 0.465035 0.899367 P\n0.348166 0.188596 0.816883 P\n0.143378 0.853166 0.732597 O\n0.472366 0.241691 0.750135 O\n0.156733 0.611164 0.709422 O\n0.260747 0.159093 0.745152 O\n0.452430 0.481748 0.621317 O\n0.750454 0.095239 0.577076 O\n0.581464 0.955465 0.650747 O\n0.749011 0.308292 0.702079 O\n0.233956 0.430921 0.581229 O\n0.264380 0.663174 0.518143 O\n0.494864 0.174241 0.531785 O\n0.730603 0.701177 0.607596 O\n0.028085 0.305203 0.610221 O\n0.278533 0.052009 0.551487 O\n0.721467 0.947991 0.448513 O\n0.971915 0.694797 0.389779 O\n0.269397 0.298823 0.392404 O\n0.505136 0.825759 0.468215 O\n0.735620 0.336826 0.481857 O\n0.766044 0.569079 0.418771 O\n0.250989 0.691708 0.297921 O\n0.418536 0.044535 0.349253 O\n0.249546 0.904761 0.422924 O\n0.532665 0.202599 0.242238 O\n0.022844 0.861744 0.228537 O\n0.547570 0.518252 0.378683 O\n0.739253 0.840907 0.254848 O\n0.843267 0.388836 0.290578 O\n0.124118 0.595468 0.206293 O\n0.268104 0.222602 0.216780 O\n0.424149 0.456105 0.130995 O\n0.527634 0.758309 0.249865 O\n0.856622 0.146834 0.267403 O\n0.766858 0.077596 0.081473 O\n0.559775 0.966820 0.133235 O\n0.271113 0.667354 0.031463 O\n0.701554 0.364094 0.169423 O\n0.524031 0.194016 0.025414 O\n0.216497 0.442131 0.051889 O\n0.003023 0.275602 0.117098 O\n0.767312 0.726944 0.085275 O\n0.279756 0.043940 0.061281 O\n0.720244 0.956060 0.938719 O\n0.232688 0.273056 0.914725 O\n0.996977 0.724398 0.882902 O\n0.783503 0.557869 0.948111 O\n0.475969 0.805984 0.974586 O\n0.298446 0.635906 0.830577 O\n0.728887 0.332646 0.968537 O\n0.440225 0.033180 0.866765 O\n0.233142 0.922404 0.918527 O\n0.575851 0.543895 0.869005 O\n0.731896 0.777398 0.783220 O\n0.875882 0.404532 0.793707 O\n0.977156 0.138256 0.771463 O\n0.467335 0.797401 0.757762 O\n",
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{
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"structure_string": "Li1 Si6 O12\n1.0\n4.972415 -0.059328 1.717123\n1.915188 6.885988 2.221049\n0.068614 0.025391 7.617929\nLi Si O\n1 6 12\ndirect\n0.600708 0.226709 0.636582 Li\n0.366599 0.353604 0.335989 Si\n0.012603 0.189486 0.182988 Si\n0.652930 0.635574 0.657672 Si\n0.991759 0.813346 0.815056 Si\n0.026268 0.222631 0.767921 Si\n0.007180 0.755876 0.235286 Si\n0.728937 0.398191 0.718084 O\n0.904375 0.049678 0.730276 O\n0.294902 0.583063 0.238717 O\n0.074806 0.955109 0.227907 O\n0.247948 0.320268 0.568230 O\n0.005189 0.296282 0.964869 O\n0.316194 0.715632 0.721428 O\n0.795683 0.724500 0.758213 O\n0.701994 0.270216 0.321807 O\n0.249327 0.236240 0.244898 O\n0.913489 0.771182 0.047435 O\n0.759108 0.705626 0.424855 O\n",
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{
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