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{
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{
"id": "mp-1236237",
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"structure_string": "Li1 In4 Ge4 O14\n1.0\n-5.027604 -5.027166 -0.005387\n-5.027604 -0.005387 -5.027166\n0.000000 -5.032554 -5.032554\nLi In Ge O\n1 4 4 14\ndirect\n0.123278 0.123278 0.126722 Li\n0.500193 0.500193 0.000043 In\n0.500419 0.999992 0.499795 In\n0.999992 0.500419 0.499795 In\n0.500193 0.500193 0.499571 In\n0.993402 0.993402 0.519856 Ge\n0.993937 0.518221 0.993921 Ge\n0.518221 0.993937 0.993921 Ge\n0.993402 0.993402 0.993340 Ge\n0.375023 0.375023 0.374977 O\n0.624811 0.624811 0.625189 O\n0.324611 0.924870 0.925407 O\n0.924870 0.324611 0.325112 O\n0.924870 0.324611 0.925407 O\n0.324611 0.924870 0.325112 O\n0.924627 0.924627 0.325373 O\n0.324435 0.324435 0.925565 O\n0.673215 0.076484 0.076355 O\n0.076484 0.673215 0.673946 O\n0.076484 0.673215 0.076355 O\n0.673215 0.076484 0.673946 O\n0.076462 0.076462 0.673538 O\n0.673613 0.673613 0.076387 O\n",
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{
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"structure_string": "Li16 Fe2 O8 F4\n1.0\n2.899620 -4.848710 0.000000\n2.899620 4.848710 0.000000\n0.000000 0.000000 10.895889\nLi Fe O F\n16 2 8 4\ndirect\n0.684851 0.684851 0.276327 Li\n0.568909 0.568909 0.623405 Li\n0.431091 0.431091 0.123405 Li\n0.315149 0.315149 0.776327 Li\n0.331345 0.661011 0.902950 Li\n0.338989 0.668655 0.402950 Li\n0.006204 0.305271 0.263463 Li\n0.006082 0.382416 0.637781 Li\n0.993918 0.617584 0.137781 Li\n0.694729 0.993796 0.763463 Li\n0.993796 0.694729 0.763463 Li\n0.617584 0.993918 0.137781 Li\n0.668655 0.338989 0.402950 Li\n0.661011 0.331345 0.902950 Li\n0.382416 0.006082 0.637781 Li\n0.305271 0.006204 0.263463 Li\n0.956575 0.956575 0.510516 Fe\n0.043425 0.043425 0.010516 Fe\n0.651764 0.651764 0.451503 O\n0.348236 0.348236 0.951503 O\n0.332269 0.672426 0.717655 O\n0.025995 0.025995 0.684334 O\n0.974005 0.974005 0.184334 O\n0.327574 0.667731 0.217655 O\n0.667731 0.327574 0.217655 O\n0.672426 0.332269 0.717655 O\n0.010941 0.342381 0.447960 F\n0.657619 0.989059 0.947960 F\n0.989059 0.657619 0.947960 F\n0.342381 0.010941 0.447960 F\n",
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"formula_full": "Li16 Fe2 O8 F4",
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"spacegroup": 36
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{
"id": "mp-567799",
"created_at": "2022-09-04T14:42:59.300738Z",
"structure_string": "Ca56 Al4 Sb44\n1.0\n-8.368964 8.368964 11.249400\n8.368964 -8.368964 11.249400\n8.368964 8.368964 -11.249400\nCa Al Sb\n56 4 44\ndirect\n0.491418 0.095942 0.350098 Ca\n0.004156 0.108680 0.850098 Ca\n0.352064 0.374722 0.660819 Ca\n0.858680 0.508582 0.604524 Ca\n0.404058 0.008582 0.649902 Ca\n0.125000 0.729536 0.104536 Ca\n0.258582 0.154058 0.149902 Ca\n0.472367 0.252181 0.132903 Ca\n0.277633 0.997819 0.367097 Ca\n0.625278 0.286096 0.977342 Ca\n0.089464 0.722367 0.720187 Ca\n0.441246 0.602064 0.477342 Ca\n0.213904 0.874722 0.022658 Ca\n0.125278 0.147936 0.339181 Ca\n0.245844 0.595942 0.604524 Ca\n0.504156 0.654058 0.895476 Ca\n0.770464 0.375000 0.895464 Ca\n0.397936 0.875278 0.839181 Ca\n0.630723 0.910536 0.632903 Ca\n0.479536 0.875000 0.104536 Ca\n0.125000 0.229536 0.604536 Ca\n0.625000 0.020464 0.895464 Ca\n0.345942 0.241418 0.850098 Ca\n0.358680 0.754156 0.350098 Ca\n0.247819 0.027633 0.867097 Ca\n0.941246 0.463904 0.839181 Ca\n0.747819 0.880723 0.220187 Ca\n0.036096 0.558754 0.160819 Ca\n0.777633 0.410536 0.279813 Ca\n0.160536 0.380723 0.132903 Ca\n0.308754 0.647936 0.022658 Ca\n0.002181 0.369277 0.279813 Ca\n0.619277 0.752181 0.779813 Ca\n0.660536 0.527633 0.779813 Ca\n0.270464 0.375000 0.395464 Ca\n0.758582 0.608680 0.104524 Ca\n0.991418 0.641320 0.395476 Ca\n0.852064 0.191246 0.977342 Ca\n0.897936 0.058754 0.522658 Ca\n0.713904 0.691246 0.339181 Ca\n0.845942 0.995844 0.104524 Ca\n0.119277 0.339464 0.867097 Ca\n0.904058 0.254156 0.395476 Ca\n0.891320 0.741418 0.895476 Ca\n0.502181 0.222367 0.632903 Ca\n0.625000 0.520464 0.395464 Ca\n0.624722 0.102064 0.160819 Ca\n0.589464 0.869277 0.367097 Ca\n0.130723 0.497819 0.720187 Ca\n0.979536 0.875000 0.604536 Ca\n0.391320 0.495844 0.149902 Ca\n0.536096 0.375278 0.477342 Ca\n0.124722 0.963904 0.522658 Ca\n0.972367 0.839464 0.220187 Ca\n0.808754 0.786096 0.660819 Ca\n0.745844 0.141320 0.649902 Ca\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.796614 0.937707 0.866609 Sb\n0.447349 0.542022 0.644534 Sb\n0.385371 0.385371 0.270742 Sb\n0.864629 0.635371 0.500000 Sb\n0.292022 0.147488 0.594673 Sb\n0.571097 0.437707 0.141092 Sb\n0.953386 0.312293 0.633391 Sb\n0.562293 0.703386 0.133391 Sb\n0.687707 0.321097 0.641092 Sb\n0.187707 0.546614 0.366609 Sb\n0.453386 0.819995 0.641092 Sb\n0.302651 0.707978 0.855466 Sb\n0.792022 0.197349 0.144534 Sb\n0.552815 0.697349 0.405327 Sb\n0.062293 0.928903 0.858908 Sb\n0.947349 0.302815 0.905327 Sb\n0.750000 0.750000 0.000000 Sb\n0.852512 0.447185 0.144534 Sb\n0.635371 0.135371 0.770742 Sb\n0.697185 0.602512 0.644534 Sb\n0.957978 0.052651 0.355466 Sb\n0.802651 0.947185 0.594673 Sb\n0.500000 0.000000 0.500000 Sb\n0.114629 0.114629 0.729258 Sb\n0.052815 0.647488 0.855466 Sb\n0.069995 0.203386 0.141092 Sb\n0.296614 0.430005 0.858908 Sb\n0.397488 0.042022 0.094673 Sb\n0.897488 0.802815 0.355466 Sb\n0.180005 0.821097 0.633391 Sb\n0.000000 0.500000 0.500000 Sb\n0.197185 0.552651 0.094673 Sb\n0.135371 0.364629 0.500000 Sb\n0.178903 0.812293 0.358908 Sb\n0.457978 0.102512 0.905327 Sb\n0.071097 0.930005 0.133391 Sb\n0.678903 0.319995 0.366609 Sb\n0.352512 0.207978 0.405327 Sb\n0.250000 0.250000 0.000000 Sb\n0.569995 0.428903 0.866609 Sb\n0.680005 0.046614 0.358908 Sb\n0.885371 0.614629 0.000000 Sb\n0.614629 0.885371 0.000000 Sb\n0.364629 0.864629 0.229258 Sb\n",
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],
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"formula_full": "Ca56 Al4 Sb44",
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{
"id": "mp-1041817",
"created_at": "2022-09-04T14:42:59.310771Z",
"structure_string": "Zn6 Cr12 Cu6 O42\n1.0\n8.383155 0.000000 0.000000\n0.000000 10.191812 -0.553631\n0.000000 -0.242315 10.245070\nZn Cr Cu O\n6 12 6 42\ndirect\n0.431605 0.135247 0.572207 Zn\n0.922934 0.500000 0.750000 Zn\n0.431605 0.864753 0.927793 Zn\n0.077066 0.500000 0.250000 Zn\n0.568395 0.864753 0.427793 Zn\n0.568395 0.135247 0.072207 Zn\n0.229552 0.164658 0.286578 Cr\n0.742862 0.168409 0.376716 Cr\n0.257138 0.168409 0.876716 Cr\n0.770448 0.164658 0.786578 Cr\n0.269457 0.484541 0.956841 Cr\n0.742862 0.831591 0.123284 Cr\n0.730543 0.484541 0.456841 Cr\n0.257138 0.831591 0.623284 Cr\n0.269457 0.515459 0.543159 Cr\n0.730543 0.515459 0.043159 Cr\n0.770448 0.835342 0.713422 Cr\n0.229552 0.835342 0.213422 Cr\n0.935559 0.807156 0.409659 Cu\n0.064441 0.192844 0.590341 Cu\n0.444709 0.500000 0.250000 Cu\n0.935559 0.192844 0.090341 Cu\n0.555291 0.500000 0.750000 Cu\n0.064441 0.807156 0.909659 Cu\n0.757336 0.188853 0.956291 O\n0.757416 0.839011 0.292189 O\n0.839880 0.000000 0.750000 O\n0.907016 0.500100 0.113689 O\n0.404876 0.932910 0.567567 O\n0.915860 0.262221 0.722370 O\n0.344206 0.320868 0.927774 O\n0.092984 0.500100 0.613689 O\n0.731842 0.483120 0.874159 O\n0.404876 0.067090 0.932433 O\n0.731842 0.516880 0.625841 O\n0.408563 0.572364 0.879905 O\n0.915399 0.855679 0.045681 O\n0.084140 0.262221 0.222370 O\n0.655794 0.679132 0.072226 O\n0.344206 0.679132 0.572226 O\n0.915860 0.737779 0.777630 O\n0.595124 0.067090 0.432433 O\n0.242664 0.188853 0.456291 O\n0.591437 0.427636 0.120095 O\n0.400191 0.812202 0.291427 O\n0.268158 0.516880 0.125841 O\n0.084601 0.855679 0.545681 O\n0.268158 0.483120 0.374159 O\n0.907016 0.499900 0.386311 O\n0.591437 0.572364 0.379905 O\n0.092984 0.499900 0.886311 O\n0.599809 0.812202 0.791427 O\n0.599809 0.187798 0.708573 O\n0.084601 0.144321 0.954319 O\n0.084140 0.737779 0.277630 O\n0.757336 0.811147 0.543709 O\n0.160120 0.000000 0.250000 O\n0.242584 0.839011 0.792189 O\n0.595124 0.932910 0.067567 O\n0.915399 0.144321 0.454319 O\n0.242664 0.811147 0.043709 O\n0.757416 0.160989 0.207811 O\n0.408563 0.427636 0.620095 O\n0.655794 0.320868 0.427774 O\n0.242584 0.160989 0.707811 O\n0.400191 0.187798 0.208573 O\n",
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{
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{
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{
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{
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