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{
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"structure_string": "Ca4 Al8 Si8 H16 O40\n1.0\n5.948900 0.000000 0.000000\n0.000000 8.844003 0.000000\n0.000000 0.000000 13.175517\nCa Al Si H O\n4 8 8 16 40\ndirect\n0.234125 0.582754 0.751943 Ca\n0.734125 0.417246 0.248057 Ca\n0.234125 0.917246 0.251943 Ca\n0.734125 0.082754 0.748057 Ca\n0.497417 0.000528 0.499080 Al\n0.003906 0.996328 0.998062 Al\n0.503906 0.003672 0.001938 Al\n0.003906 0.503672 0.498062 Al\n0.503906 0.496328 0.501938 Al\n0.997417 0.999472 0.500920 Al\n0.997417 0.500528 0.000920 Al\n0.497417 0.499472 0.999080 Al\n0.251083 0.225753 0.865681 Si\n0.247524 0.271474 0.131310 Si\n0.747524 0.728526 0.868690 Si\n0.747524 0.771474 0.368690 Si\n0.247524 0.228526 0.631310 Si\n0.751083 0.725753 0.634319 Si\n0.751083 0.774247 0.134319 Si\n0.251083 0.274247 0.365681 Si\n0.275689 0.833915 0.894201 H\n0.775689 0.166085 0.105799 H\n0.275689 0.666085 0.394201 H\n0.775689 0.333915 0.605799 H\n0.249516 0.781496 0.523540 H\n0.749516 0.218504 0.476460 H\n0.249516 0.718504 0.023540 H\n0.749516 0.281496 0.976460 H\n0.178377 0.944499 0.776603 H\n0.678377 0.055501 0.223397 H\n0.178377 0.555501 0.276603 H\n0.678377 0.444499 0.723397 H\n0.255958 0.877219 0.669583 H\n0.755958 0.122781 0.330417 H\n0.255958 0.622781 0.169583 H\n0.755958 0.377219 0.830417 H\n0.532234 0.613050 0.625629 O\n0.761109 0.139843 0.253802 O\n0.260085 0.879109 0.961336 O\n0.761109 0.360157 0.753802 O\n0.756628 0.799117 0.751251 O\n0.256628 0.200883 0.248749 O\n0.756628 0.700883 0.251251 O\n0.256628 0.299117 0.748749 O\n0.032234 0.113050 0.874371 O\n0.532234 0.886950 0.125629 O\n0.032234 0.386950 0.374371 O\n0.261109 0.860157 0.746198 O\n0.020236 0.126508 0.618201 O\n0.520236 0.873492 0.381799 O\n0.020236 0.373492 0.118201 O\n0.520236 0.626508 0.881799 O\n0.475113 0.371094 0.114307 O\n0.975113 0.628906 0.885693 O\n0.475113 0.128906 0.614307 O\n0.975113 0.871094 0.385693 O\n0.478000 0.374514 0.383124 O\n0.978000 0.625486 0.616876 O\n0.478000 0.125486 0.883124 O\n0.978000 0.874514 0.116876 O\n0.747667 0.886185 0.937391 O\n0.247667 0.113815 0.062609 O\n0.747667 0.613815 0.437391 O\n0.247667 0.386185 0.562609 O\n0.743305 0.883424 0.565678 O\n0.243305 0.116576 0.434322 O\n0.743305 0.616576 0.065678 O\n0.243305 0.383424 0.934322 O\n0.749428 0.388050 0.950140 O\n0.249428 0.611950 0.049860 O\n0.749428 0.111950 0.450140 O\n0.249428 0.888050 0.549860 O\n0.760085 0.379109 0.538664 O\n0.260085 0.620891 0.461336 O\n0.760085 0.120891 0.038664 O\n0.261109 0.639843 0.246198 O\n",
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"formula_full": "Ca4 Al8 Si8 H16 O40",
"formula_reduced": "CaAl2Si2(H2O5)2",
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"spacegroup": 33
},
{
"id": "mp-1520890",
"created_at": "2022-09-04T14:47:59.369243Z",
"structure_string": "Na1 In1 Sn1 W1 O6\n1.0\n0.000000 -4.081406 -4.081406\n4.081406 0.000000 -4.081406\n4.081406 -4.081406 0.000000\nNa In Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 -0.000000 In\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.737815 0.262185 0.262185 O\n0.262185 0.737815 0.737815 O\n0.737815 0.262185 0.737815 O\n0.262185 0.737815 0.262185 O\n0.737815 0.737815 0.262185 O\n0.262185 0.262185 0.737815 O\n",
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"formula_full": "Na1 In1 Sn1 W1 O6",
"formula_reduced": "NaInSnWO6",
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{
"id": "mp-1196003",
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"structure_string": "Zn24 As16\n1.0\n-5.981252 5.981252 5.981252\n5.981252 -5.981252 5.981252\n5.981252 5.981252 -5.981252\nZn As\n24 16\ndirect\n0.478469 0.229847 0.467707 Zn\n0.237860 0.270153 0.748622 Zn\n0.021531 0.489238 0.751378 Zn\n0.262140 0.010762 0.032293 Zn\n0.229847 0.467707 0.478469 Zn\n0.270153 0.748622 0.237860 Zn\n0.489238 0.751378 0.021531 Zn\n0.010762 0.032293 0.262140 Zn\n0.467707 0.478469 0.229847 Zn\n0.748622 0.237860 0.270153 Zn\n0.751378 0.021531 0.489238 Zn\n0.032293 0.262140 0.010762 Zn\n0.521531 0.770153 0.532293 Zn\n0.762140 0.729847 0.251378 Zn\n0.978469 0.510762 0.248622 Zn\n0.737860 0.989238 0.967707 Zn\n0.770153 0.532293 0.521531 Zn\n0.729847 0.251378 0.762140 Zn\n0.510762 0.248622 0.978469 Zn\n0.989238 0.967707 0.737860 Zn\n0.532293 0.521531 0.770153 Zn\n0.251378 0.762140 0.729847 Zn\n0.248622 0.978469 0.510762 Zn\n0.967707 0.737860 0.989238 Zn\n0.500000 0.000000 0.500000 As\n0.500000 0.500000 0.000000 As\n0.000000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 As\n0.760262 0.250000 0.010262 As\n0.739738 0.750000 0.489738 As\n0.250000 0.010262 0.760262 As\n0.750000 0.489738 0.739738 As\n0.010262 0.760262 0.250000 As\n0.489738 0.739738 0.750000 As\n0.239738 0.750000 0.989738 As\n0.260262 0.250000 0.510262 As\n0.750000 0.989738 0.239738 As\n0.250000 0.510262 0.260262 As\n0.989738 0.239738 0.750000 As\n0.510262 0.260262 0.250000 As\n",
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"formula_full": "Zn24 As16",
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{
"id": "mp-30906",
"created_at": "2022-09-04T14:48:03.677096Z",
"structure_string": "Sr8 Al24 O44\n1.0\n4.932063 0.000000 0.000000\n0.000000 8.492267 0.000000\n0.000000 0.000000 22.174844\nSr Al O\n8 24 44\ndirect\n0.960879 0.500000 0.654556 Sr\n0.460879 0.000000 0.845444 Sr\n0.039121 0.500000 0.345444 Sr\n0.539121 0.000000 0.154556 Sr\n0.384601 0.500000 0.861772 Sr\n0.884601 0.000000 0.638228 Sr\n0.615399 0.500000 0.138228 Sr\n0.115399 0.000000 0.361772 Sr\n0.507040 0.320980 0.425725 Al\n0.007040 0.179020 0.074275 Al\n0.492960 0.320980 0.574275 Al\n0.992960 0.179020 0.925725 Al\n0.492960 0.679020 0.574275 Al\n0.992960 0.820980 0.925725 Al\n0.507040 0.679020 0.425725 Al\n0.007040 0.820980 0.074275 Al\n0.614715 0.205193 0.286253 Al\n0.114715 0.294807 0.213747 Al\n0.385285 0.205193 0.713747 Al\n0.885285 0.294807 0.786253 Al\n0.385285 0.794807 0.713747 Al\n0.885285 0.705193 0.786253 Al\n0.614715 0.794807 0.286253 Al\n0.114715 0.705193 0.213747 Al\n0.000000 0.833094 0.500000 Al\n0.500000 0.666906 0.000000 Al\n0.000000 0.166906 0.500000 Al\n0.500000 0.333094 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.470165 0.260954 0.215937 O\n0.970165 0.239046 0.284063 O\n0.529835 0.260954 0.784063 O\n0.029835 0.239046 0.715937 O\n0.529835 0.739046 0.784063 O\n0.029835 0.760954 0.715937 O\n0.470165 0.739046 0.215937 O\n0.970165 0.760954 0.284063 O\n0.152164 0.662956 0.548367 O\n0.652164 0.837044 0.951633 O\n0.847836 0.662956 0.451633 O\n0.347836 0.837044 0.048367 O\n0.847836 0.337044 0.451633 O\n0.347836 0.162956 0.048367 O\n0.152164 0.337044 0.548367 O\n0.652164 0.162956 0.951633 O\n0.670952 0.500000 0.955175 O\n0.170952 0.000000 0.544825 O\n0.178098 0.342105 0.951681 O\n0.329048 0.500000 0.044825 O\n0.993305 0.181609 0.153434 O\n0.493305 0.318391 0.346566 O\n0.006695 0.181609 0.846566 O\n0.506695 0.318391 0.653434 O\n0.006695 0.818391 0.846566 O\n0.506695 0.681609 0.653434 O\n0.993305 0.818391 0.153434 O\n0.493305 0.681609 0.346566 O\n0.821902 0.657895 0.048319 O\n0.321902 0.842105 0.451681 O\n0.178098 0.657895 0.951681 O\n0.678098 0.842105 0.548319 O\n0.824833 0.000000 0.056122 O\n0.324833 0.500000 0.443878 O\n0.175167 0.000000 0.943878 O\n0.675167 0.500000 0.556122 O\n0.560299 0.000000 0.297728 O\n0.060299 0.500000 0.202272 O\n0.439701 0.000000 0.702272 O\n0.939701 0.500000 0.797728 O\n0.321902 0.157895 0.451681 O\n0.821902 0.342105 0.048319 O\n0.678098 0.157895 0.548319 O\n0.829048 0.000000 0.455175 O\n",
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{
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{
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"structure_string": "Ca4 Al8 O16\n1.0\n2.899576 0.000000 0.000000\n0.000000 9.000179 0.000000\n0.000000 0.000000 10.410702\nCa Al O\n4 8 16\ndirect\n0.250000 0.242244 0.344586 Ca\n0.750000 0.757756 0.655414 Ca\n0.250000 0.742244 0.155414 Ca\n0.750000 0.257756 0.844586 Ca\n0.250000 0.581278 0.897067 Al\n0.750000 0.418722 0.102933 Al\n0.250000 0.081278 0.602933 Al\n0.750000 0.918722 0.397067 Al\n0.250000 0.561812 0.389007 Al\n0.750000 0.438188 0.610993 Al\n0.250000 0.061812 0.110993 Al\n0.750000 0.938188 0.889007 Al\n0.250000 0.577345 0.571866 O\n0.750000 0.422655 0.428134 O\n0.250000 0.077345 0.928134 O\n0.750000 0.922655 0.071866 O\n0.250000 0.473601 0.215468 O\n0.750000 0.526399 0.784532 O\n0.250000 0.973601 0.284532 O\n0.750000 0.026399 0.715468 O\n0.250000 0.885730 0.519633 O\n0.750000 0.114270 0.480367 O\n0.250000 0.385730 0.980367 O\n0.750000 0.614270 0.019633 O\n0.750000 0.703191 0.346210 O\n0.250000 0.296809 0.653790 O\n0.750000 0.203191 0.153790 O\n0.250000 0.796809 0.846210 O\n",
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{
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