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{
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{
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{
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{
"id": "mp-1037887",
"created_at": "2022-09-04T14:48:08.870122Z",
"structure_string": "Mg30 Mn1 B1 O32\n1.0\n8.525744 0.000000 0.000000\n0.000000 8.525744 0.000000\n0.000000 0.000000 8.529349\nMg Mn B O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252743 0.252743 0.000000 Mg\n0.252743 0.747257 0.000000 Mg\n0.747257 0.252743 0.000000 Mg\n0.747257 0.747257 0.000000 Mg\n0.250453 0.250453 0.500000 Mg\n0.250453 0.749547 0.500000 Mg\n0.749547 0.250453 0.500000 Mg\n0.749547 0.749547 0.500000 Mg\n0.000000 0.251150 0.251140 Mg\n0.000000 0.748850 0.251140 Mg\n0.500000 0.251931 0.248257 Mg\n0.500000 0.748069 0.248257 Mg\n0.000000 0.251150 0.748860 Mg\n0.000000 0.748850 0.748860 Mg\n0.500000 0.251931 0.751743 Mg\n0.500000 0.748069 0.751743 Mg\n0.251150 0.000000 0.251140 Mg\n0.251931 0.500000 0.248257 Mg\n0.748850 0.000000 0.251140 Mg\n0.748069 0.500000 0.248257 Mg\n0.251150 0.000000 0.748860 Mg\n0.251931 0.500000 0.751743 Mg\n0.748850 0.000000 0.748860 Mg\n0.748069 0.500000 0.751743 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.256710 O\n0.000000 0.500000 0.249761 O\n0.500000 0.000000 0.249761 O\n0.500000 0.500000 0.247884 O\n0.000000 0.000000 0.743290 O\n0.000000 0.500000 0.750239 O\n0.500000 0.000000 0.750239 O\n0.500000 0.500000 0.752116 O\n0.250179 0.250179 0.249610 O\n0.250179 0.749821 0.249610 O\n0.749821 0.250179 0.249610 O\n0.749821 0.749821 0.249610 O\n0.250179 0.250179 0.750390 O\n0.250179 0.749821 0.750390 O\n0.749821 0.250179 0.750390 O\n0.749821 0.749821 0.750390 O\n0.000000 0.257266 0.000000 O\n0.000000 0.742734 0.000000 O\n0.500000 0.254139 0.000000 O\n0.500000 0.745861 0.000000 O\n0.000000 0.251423 0.500000 O\n0.000000 0.748577 0.500000 O\n0.500000 0.251243 0.500000 O\n0.500000 0.748757 0.500000 O\n0.257266 0.000000 0.000000 O\n0.254139 0.500000 0.000000 O\n0.742734 0.000000 0.000000 O\n0.745861 0.500000 0.000000 O\n0.251423 0.000000 0.500000 O\n0.251243 0.500000 0.500000 O\n0.748577 0.000000 0.500000 O\n0.748757 0.500000 0.500000 O\n",
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"structure_string": "Na6 Cd6 Fe6 P12 O48\n1.0\n7.889333 -0.112210 -2.896556\n-2.743898 8.584097 -0.661955\n-0.729130 -0.966104 17.923660\nNa Cd Fe P O\n6 6 6 12 48\ndirect\n0.933641 0.488750 0.676379 Na\n0.836792 0.489097 0.299821 Na\n0.555085 0.382759 0.719932 Na\n0.934503 0.993094 0.038536 Na\n0.843321 0.983835 0.581166 Na\n0.685138 0.744034 0.122302 Na\n0.370883 0.197502 0.917160 Cd\n0.207800 0.352655 0.373128 Cd\n0.220649 0.554729 0.912476 Cd\n0.807126 0.828477 0.748928 Cd\n0.373935 0.591265 0.268803 Cd\n0.967726 0.593617 0.514432 Cd\n0.519322 0.032490 0.785733 Fe\n0.137882 0.337049 0.530513 Fe\n0.376948 0.988767 0.232205 Fe\n0.014984 0.602343 0.049782 Fe\n0.387193 0.903940 0.619306 Fe\n0.515788 0.173376 0.136211 Fe\n0.326716 0.360210 0.091671 P\n0.113870 0.038216 0.475386 P\n0.129071 0.821807 0.774612 P\n0.529197 0.607497 0.567506 P\n0.232191 0.912221 0.017434 P\n0.119160 0.792156 0.265808 P\n0.941971 0.225778 0.781155 P\n0.859176 0.247217 0.929469 P\n0.608597 0.621043 0.415633 P\n0.904938 0.161482 0.204970 P\n0.783276 0.049840 0.346049 P\n0.626456 0.619604 0.935351 P\n0.305443 0.978580 0.816635 O\n0.211755 0.731700 0.012890 O\n0.141520 0.804823 0.621926 O\n0.143389 0.683296 0.815513 O\n0.422608 0.024290 0.024840 O\n0.224420 0.974272 0.294435 O\n0.549480 0.443340 0.900042 O\n0.150467 0.304067 0.837857 O\n0.937119 0.948087 0.389579 O\n0.069904 0.435575 0.447998 O\n0.404174 0.479747 0.590595 O\n0.415438 0.518131 0.156205 O\n0.519287 0.692668 0.971483 O\n0.155202 0.732658 0.693384 O\n0.214362 0.730773 0.348810 O\n0.446709 0.109041 0.690316 O\n0.218159 0.926206 0.505146 O\n0.541169 0.865187 0.725623 O\n0.140149 0.554705 0.311096 O\n0.108888 0.261826 0.239447 O\n0.650063 0.181689 0.904336 O\n0.230978 0.194839 0.464660 O\n0.079055 0.940326 0.948682 O\n0.139753 0.252160 0.074003 O\n0.623351 0.710114 0.858666 O\n0.244363 0.969674 0.106983 O\n0.493129 0.532286 0.471636 O\n0.199966 0.742812 0.202293 O\n0.698650 0.642134 0.811412 O\n0.729866 0.633603 0.624155 O\n0.505334 0.198061 0.238503 O\n0.486918 0.763228 0.566017 O\n0.597767 0.915155 0.280781 O\n0.848678 0.344251 0.754370 O\n0.888775 0.122368 0.289990 O\n0.381785 0.372928 0.020069 O\n0.859031 0.148743 0.846691 O\n0.743427 0.777102 0.475448 O\n0.027225 0.405344 0.584691 O\n0.056487 0.111117 0.540117 O\n0.915322 0.728272 0.234089 O\n0.898745 0.467501 0.085444 O\n0.894072 0.080163 0.715201 O\n0.832744 0.696806 0.998189 O\n0.780215 0.264000 0.177500 O\n0.707685 0.505850 0.401579 O\n0.962544 0.424535 0.943817 O\n0.841096 0.009118 0.141003 O\n",
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"formula_full": "Na6 Cd6 Fe6 P12 O48",
"formula_reduced": "NaCdFe(PO4)2",
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},
{
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"created_at": "2022-09-04T14:48:08.984384Z",
"structure_string": "Na2 Mn1 Ni1 O4\n1.0\n10.761207 -1.528016 0.000000\n10.761207 1.528016 0.000000\n10.544239 0.000000 2.637693\nNa Mn Ni O\n2 1 1 4\ndirect\n0.746692 0.746692 0.746692 Na\n0.253308 0.253308 0.253308 Na\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.365979 0.365979 0.365979 O\n0.866226 0.866226 0.866226 O\n0.133774 0.133774 0.133774 O\n0.634021 0.634021 0.634021 O\n",
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"formula_full": "Na2 Mn1 Ni1 O4",
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{
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"structure_string": "Be4 Al8 O16\n1.0\n4.461474 0.000000 0.000000\n0.000000 5.527899 0.000000\n0.000000 0.000000 9.499865\nBe Al O\n4 8 16\ndirect\n0.066968 0.250000 0.407549 Be\n0.933032 0.750000 0.592451 Be\n0.433032 0.250000 0.907549 Be\n0.566968 0.750000 0.092451 Be\n0.494744 0.750000 0.772845 Al\n0.994744 0.250000 0.727155 Al\n0.505256 0.250000 0.227155 Al\n0.005256 0.750000 0.272845 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.757485 0.516115 0.663082 O\n0.257485 0.483885 0.836918 O\n0.242515 0.016115 0.336918 O\n0.742515 0.983885 0.163082 O\n0.257485 0.016115 0.836918 O\n0.242515 0.483885 0.336918 O\n0.757485 0.983885 0.663082 O\n0.742515 0.516115 0.163082 O\n0.213449 0.750000 0.090437 O\n0.713449 0.250000 0.409563 O\n0.786551 0.250000 0.909563 O\n0.286551 0.750000 0.590437 O\n0.759346 0.750000 0.433547 O\n0.259346 0.250000 0.066453 O\n0.240654 0.250000 0.566453 O\n0.740654 0.750000 0.933547 O\n",
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{
"id": "mp-1021688",
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"structure_string": "Mg12 Nb2 V2\n1.0\n5.006610 0.000000 0.000000\n0.000000 6.018649 0.000000\n0.000000 0.000000 10.879116\nMg Nb V\n12 2 2\ndirect\n0.500000 0.251868 0.418806 Mg\n0.500000 0.748132 0.418806 Mg\n0.000000 0.748511 0.088847 Mg\n0.000000 0.251489 0.088847 Mg\n0.000000 0.000000 0.324887 Mg\n0.000000 0.500000 0.324285 Mg\n0.500000 0.751868 0.918806 Mg\n0.500000 0.248132 0.918806 Mg\n0.000000 0.248511 0.588847 Mg\n0.000000 0.751489 0.588847 Mg\n0.000000 0.500000 0.824887 Mg\n0.000000 0.000000 0.824285 Mg\n0.500000 0.500000 0.168151 Nb\n0.500000 0.000000 0.668151 Nb\n0.500000 0.000000 0.167367 V\n0.500000 0.500000 0.667367 V\n",
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]
}