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{
"id": "mp-768491",
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"structure_string": "Li8 Fe4 P4 C4 O28\n1.0\n5.073402 0.000000 0.000000\n-0.814150 8.416563 0.000000\n-0.815605 -1.087285 12.761760\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.244484 0.257970 0.282108 Li\n0.283364 0.918539 0.097817 Li\n0.207707 0.248754 0.775774 Li\n0.126812 0.219262 0.508356 Li\n0.716636 0.081461 0.902183 Li\n0.873188 0.780738 0.491644 Li\n0.792293 0.751246 0.224226 Li\n0.755516 0.742030 0.717892 Li\n0.301455 0.655881 0.877337 Fe\n0.323268 0.660747 0.376965 Fe\n0.698545 0.344119 0.122663 Fe\n0.676732 0.339253 0.623035 Fe\n0.238830 0.583568 0.121907 P\n0.215710 0.574888 0.621643 P\n0.761170 0.416432 0.878093 P\n0.784290 0.425112 0.378357 P\n0.170181 0.936158 0.858207 C\n0.249023 0.949524 0.377970 C\n0.829819 0.063842 0.141793 C\n0.750977 0.050476 0.622030 C\n0.418335 0.914620 0.882811 O\n0.360072 0.427866 0.093843 O\n0.392692 0.677221 0.220970 O\n0.480788 0.898849 0.391874 O\n0.324396 0.412439 0.589008 O\n0.383266 0.654343 0.719993 O\n0.259266 0.697726 0.032748 O\n0.085128 0.073115 0.856921 O\n0.226028 0.682420 0.529922 O\n0.204875 0.094830 0.381868 O\n0.058980 0.451609 0.855497 O\n0.989504 0.195110 0.160090 O\n0.082288 0.456495 0.351765 O\n0.950949 0.168675 0.640413 O\n0.010496 0.804890 0.839910 O\n0.941020 0.548391 0.144503 O\n0.049051 0.831325 0.359587 O\n0.917712 0.543505 0.648235 O\n0.914872 0.926885 0.143079 O\n0.740734 0.302274 0.967252 O\n0.795125 0.905170 0.618132 O\n0.773972 0.317580 0.470078 O\n0.639928 0.572134 0.906157 O\n0.581665 0.085380 0.117189 O\n0.616734 0.345657 0.280007 O\n0.675604 0.587561 0.410992 O\n0.519212 0.101151 0.608126 O\n0.607308 0.322779 0.779030 O\n",
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{
"id": "mp-1176826",
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"structure_string": "Li16 V6 P16 O58\n1.0\n9.878463 0.000000 0.000000\n4.930058 8.578365 0.000000\n0.082812 0.038544 13.822053\nLi V P O\n16 6 16 58\ndirect\n0.223433 0.090596 0.938790 Li\n0.096360 0.232352 0.433682 Li\n0.669799 0.096047 0.434302 Li\n0.331045 0.330673 0.617541 Li\n0.330047 0.332135 0.119679 Li\n0.683813 0.224281 0.940379 Li\n0.091326 0.682325 0.938986 Li\n0.765199 0.337667 0.559293 Li\n0.233695 0.670311 0.435063 Li\n0.907013 0.318062 0.064037 Li\n0.313360 0.777547 0.061566 Li\n0.668365 0.669344 0.882667 Li\n0.337582 0.898110 0.560902 Li\n0.899919 0.765793 0.561202 Li\n0.776585 0.908059 0.063653 Li\n0.002251 0.998474 0.495814 Li\n0.567280 0.434478 0.749943 V\n0.436734 0.565935 0.250385 V\n0.000248 0.433860 0.251126 V\n0.999644 0.566884 0.750056 V\n0.433566 0.999179 0.750583 V\n0.567365 0.999573 0.250857 V\n0.230459 0.090271 0.156942 P\n0.089058 0.227005 0.655345 P\n0.683405 0.091386 0.656370 P\n0.333627 0.334648 0.875238 P\n0.335936 0.335286 0.376058 P\n0.679244 0.231685 0.157277 P\n0.770967 0.314229 0.343038 P\n0.092657 0.678942 0.157440 P\n0.908309 0.321757 0.843485 P\n0.229317 0.683498 0.656502 P\n0.320681 0.766676 0.843603 P\n0.664781 0.667002 0.624382 P\n0.667484 0.663782 0.124385 P\n0.313726 0.912473 0.343150 P\n0.913885 0.771671 0.343721 P\n0.768450 0.910629 0.844341 P\n0.216691 0.999291 0.432199 O\n0.249210 0.077335 0.655984 O\n0.000840 0.240745 0.932321 O\n0.079233 0.248870 0.155631 O\n0.369619 0.117233 0.174055 O\n0.330705 0.188008 0.837346 O\n0.519071 0.111007 0.665084 O\n0.751462 0.005377 0.933024 O\n0.668174 0.082665 0.154313 O\n0.191898 0.325577 0.340349 O\n0.109961 0.370615 0.665657 O\n0.489812 0.192202 0.340532 O\n0.343367 0.333614 0.983749 O\n0.333829 0.348617 0.485178 O\n0.484807 0.334388 0.830913 O\n0.118423 0.513089 0.171824 O\n0.189069 0.485339 0.836759 O\n0.670955 0.253254 0.657299 O\n0.788062 0.210448 0.249016 O\n0.770235 0.224474 0.432993 O\n0.753459 0.252553 0.067306 O\n0.513529 0.373773 0.175420 O\n0.328032 0.489309 0.332642 O\n0.747692 0.330367 0.843066 O\n0.376767 0.520547 0.669020 O\n0.082817 0.667506 0.654578 O\n0.998069 0.217755 0.750070 O\n0.996088 0.229800 0.567169 O\n0.003078 0.775921 0.432964 O\n0.916770 0.330774 0.343714 O\n0.619358 0.470542 0.331032 O\n0.253824 0.668848 0.156702 O\n0.668984 0.513373 0.670434 O\n0.486503 0.625182 0.825396 O\n0.246443 0.745336 0.933040 O\n0.234910 0.770990 0.567414 O\n0.213925 0.784628 0.750835 O\n0.331305 0.748558 0.341308 O\n0.812543 0.512859 0.161006 O\n0.882309 0.487820 0.829220 O\n0.516053 0.664297 0.169613 O\n0.653043 0.662667 0.015773 O\n0.665031 0.653437 0.516898 O\n0.512558 0.809755 0.663984 O\n0.905404 0.623434 0.332963 O\n0.810067 0.673032 0.663003 O\n0.330337 0.916443 0.845917 O\n0.210920 0.999802 0.248788 O\n0.249115 0.995338 0.067554 O\n0.468914 0.908087 0.334468 O\n0.668819 0.811694 0.159437 O\n0.629125 0.883255 0.828704 O\n0.920850 0.752841 0.844133 O\n0.999369 0.758844 0.068048 O\n0.004138 0.786298 0.249455 O\n0.752880 0.920181 0.341941 O\n0.776391 0.000194 0.568196 O\n0.781850 0.002862 0.750942 O\n",
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"formula_full": "Li16 V6 P16 O58",
"formula_reduced": "Li8V3P8O29",
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"spacegroup": 1
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{
"id": "mp-1220923",
"created_at": "2022-09-04T14:46:28.576630Z",
"structure_string": "Na3 Tb3 Ir3 O12\n1.0\n0.000000 0.000000 -3.260661\n-4.823579 -8.354684 0.000000\n-4.578156 8.212989 0.000000\nNa Tb Ir O\n3 3 3 12\ndirect\n0.000000 0.020933 0.000000 Na\n0.500000 0.301179 0.301047 Na\n0.500000 0.000132 0.698953 Na\n0.500000 0.314721 0.656994 Tb\n0.500000 0.657727 0.343006 Tb\n0.500000 0.703039 0.000000 Tb\n0.000000 0.332365 0.000000 Ir\n0.000000 0.673432 0.676375 Ir\n0.000000 0.997057 0.323625 Ir\n0.500000 0.461894 0.000000 O\n0.500000 0.546212 0.546171 O\n0.500000 0.000041 0.453829 O\n0.500000 0.202203 0.000000 O\n0.500000 0.807152 0.819862 O\n0.500000 0.987290 0.180138 O\n0.000000 0.463594 0.249846 O\n0.000000 0.784198 0.543740 O\n0.000000 0.743772 0.195021 O\n0.000000 0.213749 0.750154 O\n0.000000 0.240458 0.456260 O\n0.000000 0.548751 0.804979 O\n",
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"formula_full": "Na3 Tb3 Ir3 O12",
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{
"id": "mp-1147521",
"created_at": "2022-09-04T14:46:28.580733Z",
"structure_string": "Cs2 Co2 O4\n1.0\n-0.000025 4.256169 -4.256170\n0.000050 4.256138 4.256138\n4.256110 0.000029 -4.256116\nCs Co O\n2 2 4\ndirect\n0.500000 0.500000 0.999999 Cs\n0.250000 0.250000 0.500001 Cs\n0.749998 0.749999 0.500002 Co\n0.000003 0.000001 0.999997 Co\n0.871917 0.384248 0.256165 O\n0.871917 0.871918 0.256165 O\n0.871917 0.871918 0.743835 O\n0.384248 0.871917 0.743835 O\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Sr12 Bi4 O22\n1.0\n8.582633 0.000000 0.000000\n0.000000 8.617558 0.000000\n0.000000 0.019325 8.855970\nSr Bi O\n12 4 22\ndirect\n0.250000 0.250446 0.001168 Sr\n0.486666 0.982098 0.283437 Sr\n0.013334 0.982098 0.283437 Sr\n0.750000 0.248780 0.421686 Sr\n0.483567 0.513353 0.284182 Sr\n0.016433 0.513353 0.284182 Sr\n0.986666 0.017902 0.716563 Sr\n0.750000 0.749554 0.998832 Sr\n0.513334 0.017902 0.716563 Sr\n0.983567 0.486647 0.715818 Sr\n0.250000 0.751220 0.578314 Sr\n0.516433 0.486647 0.715818 Sr\n0.750000 0.250978 0.036208 Bi\n0.250000 0.250501 0.500677 Bi\n0.250000 0.749022 0.963792 Bi\n0.750000 0.749499 0.499323 Bi\n0.250000 0.003497 0.484003 O\n0.750000 0.996503 0.515997 O\n0.980734 0.249890 0.118885 O\n0.519266 0.249890 0.118885 O\n0.750000 0.754846 0.266020 O\n0.750000 0.018023 0.110816 O\n0.750000 0.502207 0.508558 O\n0.250000 0.747478 0.201487 O\n0.250000 0.497793 0.491442 O\n0.250000 0.981977 0.889184 O\n0.250000 0.245154 0.733980 O\n0.002615 0.249344 0.515168 O\n0.480734 0.750110 0.881115 O\n0.019266 0.750110 0.881115 O\n0.497385 0.249344 0.515168 O\n0.250000 0.258644 0.267692 O\n0.250000 0.517418 0.885405 O\n0.750000 0.741356 0.732308 O\n0.750000 0.482582 0.114595 O\n0.997385 0.750656 0.484832 O\n0.502615 0.750656 0.484832 O\n0.750000 0.252522 0.798513 O\n",
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{
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"structure_string": "K1 Fe3 H6 S2 O14\n1.0\n8.102990 -4.368731 0.000000\n8.102990 4.368731 0.000000\n5.747586 0.000000 7.190933\nK Fe H S O\n1 3 6 2 14\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.051312 0.472370 0.472370 H\n0.472370 0.472370 0.051312 H\n0.472370 0.051312 0.472370 H\n0.527630 0.948688 0.527630 H\n0.948688 0.527630 0.527630 H\n0.527630 0.527630 0.948688 H\n0.352545 0.352545 0.352545 S\n0.647455 0.647455 0.647455 S\n0.416833 0.416833 0.416833 O\n0.583167 0.583167 0.583167 O\n0.474977 0.123864 0.123864 O\n0.123864 0.123864 0.474977 O\n0.123864 0.474977 0.123864 O\n0.876136 0.525023 0.876136 O\n0.525023 0.876136 0.876136 O\n0.876136 0.876136 0.525023 O\n0.665751 0.030430 0.030430 O\n0.030430 0.030430 0.665751 O\n0.030430 0.665751 0.030430 O\n0.969570 0.334249 0.969570 O\n0.334249 0.969570 0.969570 O\n0.969570 0.969570 0.334249 O\n",
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}