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{
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{
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{
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"structure_string": "Ti34 N12 O48\n1.0\n7.643430 0.000000 0.000000\n3.822016 10.035736 0.000000\n1.910461 0.004973 14.523993\nTi N O\n34 12 48\ndirect\n0.929322 0.070185 0.423987 Ti\n0.088575 0.056841 0.759330 Ti\n0.272402 0.425672 0.761714 Ti\n0.592723 0.750016 0.130475 Ti\n0.258959 0.076125 0.093456 Ti\n0.239115 0.249649 0.536104 Ti\n0.567832 0.576195 0.906569 Ti\n0.407277 0.249984 0.869525 Ti\n0.432168 0.423805 0.093431 Ti\n0.911425 0.943159 0.240670 Ti\n0.760885 0.750351 0.463896 Ti\n0.607975 0.427881 0.425101 Ti\n0.727598 0.574328 0.238286 Ti\n0.781563 0.442901 0.759300 Ti\n0.429543 0.072169 0.425112 Ti\n0.596785 0.074498 0.761698 Ti\n0.575023 0.250047 0.199946 Ti\n0.891336 0.570215 0.576040 Ti\n0.055134 0.576186 0.906556 Ti\n0.944866 0.423814 0.093444 Ti\n0.742923 0.250385 0.536082 Ti\n0.092092 0.749986 0.130469 Ti\n0.229511 0.923832 0.906537 Ti\n0.070678 0.929815 0.576013 Ti\n0.770489 0.076168 0.093463 Ti\n0.907908 0.250014 0.869531 Ti\n0.218437 0.557099 0.240700 Ti\n0.257077 0.749615 0.463918 Ti\n0.403215 0.925502 0.238302 Ti\n0.424977 0.749953 0.800054 Ti\n0.108664 0.429785 0.423960 Ti\n0.392025 0.572119 0.574899 Ti\n0.570457 0.927831 0.574888 Ti\n0.741041 0.923875 0.906544 Ti\n0.169632 0.249750 0.820847 N\n0.357065 0.249979 0.144905 N\n0.642935 0.750021 0.855095 N\n0.669774 0.250058 0.820981 N\n0.830368 0.750250 0.179153 N\n0.503290 0.250012 0.487099 N\n0.179494 0.749967 0.855056 N\n0.997217 0.750035 0.511114 N\n0.820506 0.250033 0.144944 N\n0.002783 0.249965 0.488886 N\n0.330226 0.749942 0.179019 N\n0.496710 0.749988 0.512901 N\n0.995151 0.049313 0.118065 O\n0.977843 0.108975 0.304334 O\n0.333506 0.064484 0.791863 O\n0.320857 0.119717 0.968105 O\n0.353367 0.435629 0.459291 O\n0.152783 0.122882 0.634107 O\n0.169323 0.066770 0.457782 O\n0.479561 0.564556 0.208128 O\n0.556911 0.619747 0.031923 O\n0.520439 0.435444 0.791872 O\n0.443089 0.380253 0.968077 O\n0.282572 0.382436 0.634770 O\n0.646633 0.564371 0.540709 O\n0.688161 0.440405 0.128026 O\n0.004849 0.950687 0.881935 O\n0.022157 0.891025 0.695666 O\n0.484376 0.118920 0.302141 O\n0.497665 0.059362 0.128230 O\n0.847218 0.877118 0.365893 O\n0.830677 0.933230 0.542218 O\n0.804026 0.548826 0.881642 O\n0.717428 0.617564 0.365230 O\n0.880080 0.608900 0.695670 O\n0.614517 0.381149 0.302101 O\n0.650008 0.117587 0.634743 O\n0.814883 0.119724 0.968101 O\n0.780131 0.377153 0.634018 O\n0.851858 0.433297 0.457727 O\n0.667006 0.064355 0.459304 O\n0.165020 0.935568 0.208181 O\n0.046946 0.619778 0.031916 O\n0.834980 0.064432 0.791819 O\n0.980911 0.564498 0.208177 O\n0.953054 0.380222 0.968084 O\n0.019089 0.435502 0.791823 O\n0.185117 0.880276 0.031899 O\n0.119920 0.391100 0.304330 O\n0.515624 0.881080 0.697859 O\n0.148142 0.566703 0.542273 O\n0.332994 0.935645 0.540696 O\n0.195974 0.451174 0.118358 O\n0.502335 0.940638 0.871770 O\n0.385483 0.618851 0.697899 O\n0.311839 0.559595 0.871974 O\n0.349992 0.882413 0.365257 O\n0.219869 0.622847 0.365982 O\n0.679143 0.880283 0.031895 O\n0.666494 0.935516 0.208137 O\n",
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"formula_full": "Ti34 N12 O48",
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{
"id": "mp-1523257",
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"structure_string": "K1 Nd1 Zr1 Ti1 O6\n1.0\n0.000000 -4.044959 -4.044959\n4.044959 0.000000 -4.044959\n4.044959 -4.044959 0.000000\nK Nd Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.757998 0.242002 0.242002 O\n0.242002 0.757998 0.757998 O\n0.757998 0.242002 0.757998 O\n0.242002 0.757998 0.242002 O\n0.757998 0.757998 0.242002 O\n0.242002 0.242002 0.757998 O\n",
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{
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{
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{
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"structure_string": "Na2 Ti4 O8\n1.0\n0.000000 4.359087 4.359087\n4.359087 0.000000 4.359087\n4.359087 4.359087 0.000000\nNa Ti O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.125000 0.125000 0.625000 Ti\n0.125000 0.625000 0.125000 Ti\n0.625000 0.125000 0.125000 Ti\n0.125000 0.125000 0.125000 Ti\n0.320121 0.893293 0.893293 O\n0.893293 0.893293 0.893293 O\n0.893293 0.320121 0.893293 O\n0.893293 0.893293 0.320121 O\n0.356707 0.929879 0.356707 O\n0.356707 0.356707 0.929879 O\n0.929879 0.356707 0.356707 O\n0.356707 0.356707 0.356707 O\n",
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{
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