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{
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"structure_string": "Li12 B8 Sb4 O24\n1.0\n9.053349 0.000000 0.000000\n0.000000 5.352838 0.000000\n0.000000 5.110681 10.664473\nLi B Sb O\n12 8 4 24\ndirect\n0.974124 0.518159 0.324948 Li\n0.653181 0.443852 0.383716 Li\n0.986276 0.924291 0.905421 Li\n0.153181 0.556148 0.116284 Li\n0.486276 0.075709 0.594579 Li\n0.474124 0.481841 0.175052 Li\n0.525876 0.518159 0.824948 Li\n0.513724 0.924291 0.405421 Li\n0.846819 0.443852 0.883716 Li\n0.013724 0.075709 0.094579 Li\n0.346819 0.556148 0.616284 Li\n0.025876 0.481841 0.675052 Li\n0.328581 0.459761 0.379207 B\n0.672050 0.968747 0.867011 B\n0.828581 0.540239 0.120793 B\n0.172050 0.031253 0.632989 B\n0.827950 0.968747 0.367011 B\n0.171419 0.459761 0.879207 B\n0.327950 0.031253 0.132989 B\n0.671419 0.540239 0.620793 B\n0.326941 0.974404 0.874083 Sb\n0.826941 0.025596 0.625917 Sb\n0.173059 0.974404 0.374083 Sb\n0.673059 0.025596 0.125917 Sb\n0.331789 0.812117 0.100042 O\n0.641658 0.331644 0.582403 O\n0.942137 0.712291 0.122472 O\n0.044332 0.168291 0.639848 O\n0.304144 0.125943 0.663719 O\n0.684067 0.566001 0.156017 O\n0.184067 0.433999 0.343983 O\n0.804144 0.874057 0.836281 O\n0.544332 0.831709 0.860152 O\n0.442137 0.287709 0.377528 O\n0.831789 0.187883 0.399958 O\n0.141658 0.668356 0.917597 O\n0.858342 0.331644 0.082403 O\n0.168211 0.812117 0.600042 O\n0.557863 0.712291 0.622472 O\n0.455668 0.168291 0.139848 O\n0.195856 0.125943 0.163719 O\n0.815933 0.566001 0.656017 O\n0.315933 0.433999 0.843983 O\n0.695856 0.874057 0.336281 O\n0.955668 0.831709 0.360152 O\n0.057863 0.287709 0.877528 O\n0.358342 0.668356 0.417597 O\n0.668211 0.187883 0.899958 O\n",
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{
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"structure_string": "K1 Y1 Sn1 W1 O6\n1.0\n-0.000000 -4.194186 -4.194186\n4.194186 -0.000000 -4.194186\n4.194186 -4.194186 0.000000\nK Y Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Sn\n-0.000000 -0.000000 -0.000000 W\n0.767476 0.232524 0.232524 O\n0.232524 0.767476 0.767476 O\n0.767476 0.232524 0.767476 O\n0.232524 0.767476 0.232524 O\n0.767476 0.767476 0.232524 O\n0.232524 0.232524 0.767476 O\n",
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"volume": 147.56149767236263,
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"formula_full": "K1 Y1 Sn1 W1 O6",
"formula_reduced": "KYSnWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.97360212,
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"spacegroup": 216
},
{
"id": "mp-6494",
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"structure_string": "K2 Ca1 C2 O6\n1.0\n6.389490 -2.721608 0.000000\n6.389490 2.721608 0.000000\n5.230219 0.000000 4.569195\nK Ca C O\n2 1 2 6\ndirect\n0.210022 0.210022 0.210022 K\n0.789978 0.789978 0.789978 K\n0.000000 0.000000 0.000000 Ca\n0.589113 0.589113 0.589113 C\n0.410887 0.410887 0.410887 C\n0.273371 0.687556 0.273371 O\n0.273371 0.273371 0.687556 O\n0.687556 0.273371 0.273371 O\n0.312444 0.726629 0.726629 O\n0.726629 0.726629 0.312444 O\n0.726629 0.312444 0.726629 O\n",
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{
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"created_at": "2022-09-04T14:43:01.197594Z",
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"formula_full": "Mg1 Sn8 P4 O18",
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{
"id": "mp-1031493",
"created_at": "2022-09-04T14:41:58.700696Z",
"structure_string": "Mg6 Si1 Sn1 O8\n1.0\n8.929741 0.000000 0.000000\n0.000000 4.486508 0.000000\n0.000000 0.000000 4.486508\nMg Si Sn O\n6 1 1 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.264467 0.000000 0.500000 Mg\n0.735533 0.000000 0.500000 Mg\n0.264467 0.500000 0.000000 Mg\n0.735533 0.500000 -0.000000 Mg\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 -0.000000 Sn\n0.273081 -0.000000 -0.000000 O\n0.726919 0.000000 0.000000 O\n0.265225 0.500000 0.500000 O\n0.734775 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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"formula_full": "Mg6 Si1 Sn1 O8",
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{
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"created_at": "2022-09-04T14:43:24.653468Z",
"structure_string": "Sr8 Sm4 Nb4 O24\n1.0\n8.469437 0.000000 0.000000\n-0.000000 8.469437 0.000000\n0.000000 0.000000 8.469437\nSr Sm Nb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 -0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sm\n0.250000 0.750000 0.750000 Sm\n0.750000 0.250000 0.750000 Sm\n0.750000 0.750000 0.250000 Sm\n0.750000 0.750000 0.750000 Nb\n0.750000 0.250000 0.250000 Nb\n0.250000 0.750000 0.250000 Nb\n0.250000 0.250000 0.750000 Nb\n0.215274 0.293417 0.516846 O\n0.215274 0.706583 0.483154 O\n0.784726 0.293417 0.483154 O\n0.784726 0.706583 0.516846 O\n0.293417 0.516846 0.215274 O\n0.706583 0.483154 0.215274 O\n0.293417 0.483154 0.784726 O\n0.706583 0.516846 0.784726 O\n0.516846 0.215274 0.293417 O\n0.483154 0.215274 0.706583 O\n0.483154 0.784726 0.293417 O\n0.516846 0.784726 0.706583 O\n0.284726 0.206583 0.983154 O\n0.284726 0.793417 0.016846 O\n0.715274 0.206583 0.016846 O\n0.715274 0.793417 0.983154 O\n0.206583 0.983154 0.284726 O\n0.793417 0.016846 0.284726 O\n0.206583 0.016846 0.715274 O\n0.793417 0.983154 0.715274 O\n0.983154 0.284726 0.206583 O\n0.016846 0.284726 0.793417 O\n0.016846 0.715274 0.206583 O\n0.983154 0.715274 0.793417 O\n",
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{
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"structure_string": "K4 Li4 Zn4 P8 O28\n1.0\n5.158022 0.000000 0.000000\n0.000000 10.442477 0.000000\n0.000000 0.000000 12.600451\nK Li Zn P O\n4 4 4 8 28\ndirect\n0.008749 0.756429 0.000000 K\n0.497940 0.490476 0.500000 K\n0.502060 0.990476 0.500000 K\n0.991251 0.256429 0.000000 K\n0.038484 0.474872 0.249898 Li\n0.961516 0.974872 0.249898 Li\n0.038484 0.474872 0.750102 Li\n0.961516 0.974872 0.750102 Li\n0.532339 0.273064 0.748731 Zn\n0.532339 0.273064 0.251269 Zn\n0.467661 0.773064 0.251269 Zn\n0.467661 0.773064 0.748731 Zn\n0.981049 0.719382 0.382626 P\n0.018951 0.219382 0.617374 P\n0.981049 0.719382 0.617374 P\n0.018951 0.219382 0.382626 P\n0.534689 0.524523 0.117802 P\n0.534689 0.524523 0.882198 P\n0.465311 0.024523 0.882198 P\n0.465311 0.024523 0.117802 P\n0.825748 0.513519 0.872732 O\n0.616229 0.933481 0.807469 O\n0.316402 0.231996 0.625549 O\n0.570295 0.162481 0.127067 O\n0.570295 0.162481 0.872933 O\n0.918811 0.083961 0.626514 O\n0.117829 0.814885 0.306968 O\n0.944698 0.275825 0.500000 O\n0.918811 0.083961 0.373486 O\n0.616229 0.933481 0.192531 O\n0.825748 0.513519 0.127268 O\n0.316402 0.231996 0.374451 O\n0.174252 0.013519 0.127268 O\n0.383771 0.433481 0.807469 O\n0.081189 0.583961 0.373486 O\n0.174252 0.013519 0.872732 O\n0.882171 0.314885 0.693032 O\n0.444789 0.475844 0.000000 O\n0.429705 0.662481 0.127067 O\n0.555211 0.975844 0.000000 O\n0.117829 0.814885 0.693032 O\n0.882171 0.314885 0.306968 O\n0.081189 0.583961 0.626514 O\n0.429705 0.662481 0.872933 O\n0.683598 0.731996 0.625549 O\n0.683598 0.731996 0.374451 O\n0.055302 0.775825 0.500000 O\n0.383771 0.433481 0.192531 O\n",
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{
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{
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"structure_string": "K6 Ga2 O6\n1.0\n5.644906 3.587502 0.000000\n-5.644906 3.587502 0.000000\n0.000000 1.347020 6.453228\nK Ga O\n6 2 6\ndirect\n0.373291 0.373291 0.350596 K\n0.742063 0.257937 0.000000 K\n0.804592 0.195408 0.500000 K\n0.257937 0.742063 0.000000 K\n0.626709 0.626709 0.649404 K\n0.195408 0.804592 0.500000 K\n0.170137 0.170137 0.851837 Ga\n0.829863 0.829863 0.148163 Ga\n0.427800 0.156100 0.734198 O\n0.100426 0.100426 0.154511 O\n0.899574 0.899574 0.845489 O\n0.572200 0.843900 0.265802 O\n0.843900 0.572200 0.265802 O\n0.156100 0.427800 0.734198 O\n",
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