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{
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{
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{
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"structure_string": "Tl4 P8 H4 O28\n1.0\n9.170703 0.000000 0.000000\n0.000000 7.340186 0.000000\n0.000000 4.782581 8.793576\nTl P H O\n4 8 4 28\ndirect\n0.204809 0.034178 0.997625 Tl\n0.295191 0.034178 0.497625 Tl\n0.795191 0.965822 0.002375 Tl\n0.704809 0.965822 0.502375 Tl\n0.505757 0.942502 0.230428 P\n0.994243 0.942502 0.730428 P\n0.494243 0.057498 0.769572 P\n0.005757 0.057498 0.269572 P\n0.355975 0.566064 0.248275 P\n0.144025 0.566064 0.748275 P\n0.644025 0.433936 0.751725 P\n0.855975 0.433936 0.251725 P\n0.543602 0.449034 0.176578 H\n0.956398 0.449034 0.676578 H\n0.456398 0.550966 0.823422 H\n0.043602 0.550966 0.323422 H\n0.408368 0.080342 0.098020 O\n0.091632 0.080342 0.598020 O\n0.591632 0.919658 0.901980 O\n0.908368 0.919658 0.401980 O\n0.668485 0.958623 0.194749 O\n0.831515 0.958623 0.694749 O\n0.331515 0.041377 0.805251 O\n0.168485 0.041377 0.305251 O\n0.492890 0.986399 0.368267 O\n0.007110 0.986399 0.868267 O\n0.507110 0.013601 0.631733 O\n0.992890 0.013601 0.131733 O\n0.456553 0.703405 0.297496 O\n0.043447 0.703405 0.797496 O\n0.543447 0.296595 0.702504 O\n0.956553 0.296595 0.202504 O\n0.221207 0.687559 0.161856 O\n0.278793 0.687559 0.661856 O\n0.778793 0.312441 0.838144 O\n0.721207 0.312441 0.338144 O\n0.449625 0.519339 0.136499 O\n0.050375 0.519339 0.636499 O\n0.550375 0.480661 0.863501 O\n0.949625 0.480661 0.363501 O\n0.318709 0.376252 0.397025 O\n0.181291 0.376252 0.897025 O\n0.681291 0.623748 0.602975 O\n0.818709 0.623748 0.102975 O\n",
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{
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{
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"structure_string": "Mg6 Cr1 Ni1 O8\n1.0\n8.444350 0.000000 0.000000\n-0.000000 4.312390 0.000000\n0.000000 0.000000 4.312390\nMg Cr Ni O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.247846 -0.000000 0.500000 Mg\n0.752154 0.000000 0.500000 Mg\n0.247846 0.500000 0.000000 Mg\n0.752154 0.500000 -0.000000 Mg\n0.500000 -0.000000 0.000000 Cr\n0.000000 -0.000000 0.000000 Ni\n0.252535 0.000000 -0.000000 O\n0.747465 -0.000000 0.000000 O\n0.249811 0.500000 0.500000 O\n0.750189 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 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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"structure_string": "Sb4 As4 Pd4\n1.0\n6.322307 0.000000 0.000000\n0.000000 6.322307 0.000000\n0.000000 0.000000 6.322307\nSb As Pd\n4 4 4\ndirect\n0.880863 0.119137 0.619137 Sb\n0.119137 0.619137 0.880863 Sb\n0.619137 0.880863 0.119137 Sb\n0.380863 0.380863 0.380863 Sb\n0.123621 0.876379 0.376379 As\n0.876379 0.376379 0.123621 As\n0.376379 0.123621 0.876379 As\n0.623621 0.623621 0.623621 As\n0.509220 0.490780 0.990780 Pd\n0.490780 0.990780 0.509220 Pd\n0.990780 0.509220 0.490780 Pd\n0.009220 0.009220 0.009220 Pd\n",
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"density": 7.966555314672886,
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"volume": 252.7125102725195,
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"formula_full": "Sb4 As4 Pd4",
"formula_reduced": "SbAsPd",
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{
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"structure_string": "Li2 Al2 Si4 O13\n1.0\n5.034073 0.000000 0.000000\n0.111094 7.709041 0.000000\n0.076004 3.556197 7.922709\nLi Al Si O\n2 2 4 13\ndirect\n0.124307 0.119482 0.692827 Li\n0.630054 0.877886 0.288637 Li\n0.120581 0.071208 0.370383 Al\n0.631068 0.104895 0.883115 Al\n0.131737 0.914523 0.090853 Si\n0.177048 0.498296 0.097917 Si\n0.680028 0.515062 0.879253 Si\n0.622048 0.941131 0.609029 Si\n0.594276 0.714672 0.723969 O\n0.322754 0.028154 0.549039 O\n0.291225 0.039142 0.914573 O\n0.480755 0.474386 0.040069 O\n0.981154 0.536475 0.937989 O\n0.255464 0.955034 0.247115 O\n0.169212 0.686300 0.142810 O\n0.669252 0.347486 0.814335 O\n0.094554 0.315711 0.263108 O\n0.803660 0.970395 0.442791 O\n0.815159 0.972427 0.069001 O\n0.756836 0.048419 0.717253 O\n0.734228 0.587017 0.400734 O\n",
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"formula_full": "Li2 Al2 Si4 O13",
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]
}