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{
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{
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{
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{
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{
"id": "mp-30205",
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"structure_string": "Cr4 Bi12 O30\n1.0\n6.382719 -10.102124 0.000000\n6.382719 10.102124 0.000000\n0.000000 0.000000 5.991568\nCr Bi O\n4 12 30\ndirect\n0.534592 0.209106 0.853999 Cr\n0.465408 0.790894 0.853999 Cr\n0.790894 0.465408 0.353999 Cr\n0.209106 0.534592 0.353999 Cr\n0.385249 0.247972 0.324590 Bi\n0.614751 0.752028 0.324590 Bi\n0.752028 0.614751 0.824590 Bi\n0.247972 0.385249 0.824590 Bi\n0.297857 0.894254 0.330158 Bi\n0.702143 0.105746 0.330158 Bi\n0.105746 0.702143 0.830158 Bi\n0.894254 0.297857 0.830158 Bi\n0.171195 0.046069 0.723966 Bi\n0.828805 0.953931 0.723966 Bi\n0.953931 0.828805 0.223966 Bi\n0.046069 0.171195 0.223966 Bi\n0.676034 0.221917 0.922702 O\n0.323966 0.778083 0.922702 O\n0.778083 0.323966 0.422702 O\n0.221917 0.676034 0.422702 O\n0.531452 0.344972 0.859968 O\n0.468548 0.655028 0.859968 O\n0.655028 0.468548 0.359968 O\n0.344972 0.531452 0.359968 O\n0.433468 0.119949 0.050783 O\n0.566532 0.880051 0.050783 O\n0.880051 0.566532 0.550783 O\n0.119949 0.433468 0.550783 O\n0.492735 0.146692 0.600870 O\n0.507265 0.853308 0.600870 O\n0.853308 0.507265 0.100870 O\n0.146692 0.492735 0.100870 O\n0.249837 0.254154 0.090027 O\n0.750163 0.745846 0.090027 O\n0.745846 0.750163 0.590027 O\n0.254154 0.249837 0.590027 O\n0.856978 0.168713 0.110198 O\n0.143022 0.831287 0.110198 O\n0.831287 0.143022 0.610198 O\n0.168713 0.856978 0.610198 O\n0.745801 0.942139 0.380136 O\n0.254199 0.057861 0.380136 O\n0.057861 0.254199 0.880136 O\n0.942139 0.745801 0.880136 O\n0.000000 0.000000 0.040308 O\n0.000000 0.000000 0.540308 O\n",
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{
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"structure_string": "K8 In12 Ag4 Se24\n1.0\n5.944534 5.929708 0.000000\n-5.944534 5.929708 0.000000\n0.000000 3.018783 21.721207\nK In Ag Se\n8 12 4 24\ndirect\n0.607227 0.250868 0.582294 K\n0.749132 0.392773 0.917706 K\n0.895614 0.792105 0.417621 K\n0.792105 0.895614 0.917621 K\n0.392773 0.749132 0.417706 K\n0.104386 0.207895 0.582379 K\n0.250868 0.607227 0.082294 K\n0.207895 0.104386 0.082379 K\n0.277437 0.151794 0.886863 In\n0.722563 0.848206 0.113137 In\n0.932053 0.067947 0.250000 In\n0.559588 0.440412 0.750000 In\n0.651580 0.278995 0.387515 In\n0.067947 0.932053 0.750000 In\n0.348420 0.721005 0.612485 In\n0.151794 0.277437 0.386863 In\n0.848206 0.722563 0.613137 In\n0.721005 0.348420 0.112485 In\n0.440412 0.559588 0.250000 In\n0.278995 0.651580 0.887515 In\n0.440181 0.066603 0.249874 Ag\n0.933397 0.559819 0.250126 Ag\n0.066603 0.440181 0.749874 Ag\n0.559819 0.933397 0.750126 Ag\n0.437994 0.333484 0.175417 Se\n0.829509 0.440318 0.676620 Se\n0.027456 0.668398 0.824726 Se\n0.971412 0.834702 0.177052 Se\n0.165298 0.028588 0.322948 Se\n0.883649 0.241602 0.459862 Se\n0.116351 0.758398 0.540138 Se\n0.559682 0.170491 0.823380 Se\n0.758398 0.116351 0.040138 Se\n0.170491 0.559682 0.323380 Se\n0.333484 0.437994 0.675417 Se\n0.834702 0.971412 0.677052 Se\n0.028588 0.165298 0.822948 Se\n0.722182 0.617036 0.040008 Se\n0.331602 0.972544 0.675274 Se\n0.440318 0.829509 0.176620 Se\n0.972544 0.331602 0.175274 Se\n0.617036 0.722182 0.540008 Se\n0.382964 0.277818 0.459992 Se\n0.277818 0.382964 0.959992 Se\n0.668398 0.027456 0.324726 Se\n0.666516 0.562006 0.324583 Se\n0.241602 0.883649 0.959862 Se\n0.562006 0.666516 0.824583 Se\n",
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{
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{
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{
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"created_at": "2022-09-04T14:46:21.357069Z",
"structure_string": "Cs2 Ho2 Zn2 Te6\n1.0\n2.211972 -8.727648 0.000000\n2.211972 8.727648 0.000000\n0.000000 0.000000 11.707920\nCs Ho Zn Te\n2 2 2 6\ndirect\n0.252855 0.747145 0.750000 Cs\n0.747145 0.252855 0.250000 Cs\n0.000000 0.000000 0.000000 Ho\n0.000000 0.000000 0.500000 Ho\n0.463031 0.536969 0.250000 Zn\n0.536969 0.463031 0.750000 Zn\n0.941521 0.058479 0.750000 Te\n0.617520 0.382480 0.942955 Te\n0.382480 0.617520 0.442955 Te\n0.382480 0.617520 0.057045 Te\n0.058479 0.941521 0.250000 Te\n0.617520 0.382480 0.557045 Te\n",
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"elements": [
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],
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"volume": 452.0501204013798,
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"formula_full": "Cs2 Ho2 Zn2 Te6",
"formula_reduced": "CsHoZnTe3",
"formula_anonymous": "ABCD3",
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"spacegroup": 63
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{
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"structure_string": "U4 P4 O18\n1.0\n3.567043 -4.536220 0.000000\n3.567043 4.536220 0.000000\n0.000000 0.000000 12.772707\nU P O\n4 4 18\ndirect\n0.208611 0.791389 0.430941 U\n0.291389 0.708611 0.930941 U\n0.791389 0.208611 0.569059 U\n0.708611 0.291389 0.069059 U\n0.109265 0.890735 0.143653 P\n0.390735 0.609265 0.643653 P\n0.890735 0.109265 0.856347 P\n0.609265 0.390735 0.356347 P\n0.941497 0.058503 0.123703 O\n0.558503 0.441497 0.623703 O\n0.058503 0.941497 0.876297 O\n0.441497 0.558503 0.376297 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.639753 0.360247 0.239045 O\n0.860247 0.139753 0.739045 O\n0.853700 0.485806 0.413506 O\n0.646300 0.014194 0.913506 O\n0.485806 0.853700 0.586494 O\n0.014194 0.646300 0.086494 O\n0.146300 0.514194 0.586494 O\n0.353700 0.985806 0.086494 O\n0.514194 0.146300 0.413506 O\n0.985806 0.353700 0.913506 O\n0.139753 0.860247 0.260955 O\n0.360247 0.639753 0.760955 O\n",
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"formula_full": "U4 P4 O18",
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}