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{
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"results": [
{
"id": "mp-673683",
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{
"id": "mp-1222335",
"created_at": "2022-09-04T14:44:16.283425Z",
"structure_string": "Li1 Yb1 Mo2 O8\n1.0\n-2.597388 2.597388 5.649117\n2.597388 -2.597388 5.649117\n2.597388 2.597388 -5.649117\nLi Yb Mo O\n1 1 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.494965 0.591169 0.412004 O\n0.179165 0.082961 0.587996 O\n0.917039 0.505035 0.096204 O\n0.408831 0.820835 0.903796 O\n0.066153 0.666458 0.910151 O\n0.756307 0.156001 0.089849 O\n0.843999 0.933847 0.600306 O\n0.333542 0.243693 0.399694 O\n",
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"elements": [
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"Mo",
"O"
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"formula_full": "Li1 Yb1 Mo2 O8",
"formula_reduced": "LiYb(MoO4)2",
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{
"id": "mp-770747",
"created_at": "2022-09-04T14:44:16.290833Z",
"structure_string": "Na12 Cr4 As2 C8 O32\n1.0\n0.000000 7.058389 7.058389\n7.058389 0.000000 7.058389\n7.058389 7.058389 0.000000\nNa Cr As C O\n12 4 2 8 32\ndirect\n0.541192 0.958808 0.541192 Na\n0.541192 0.541192 0.958808 Na\n0.958808 0.541192 0.541192 Na\n0.291192 0.708808 0.291192 Na\n0.541192 0.958808 0.958808 Na\n0.958808 0.958808 0.541192 Na\n0.708808 0.291192 0.291192 Na\n0.291192 0.291192 0.708808 Na\n0.958808 0.541192 0.958808 Na\n0.708808 0.708808 0.291192 Na\n0.291192 0.708808 0.708808 Na\n0.708808 0.291192 0.708808 Na\n0.125000 0.125000 0.625000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.125000 Cr\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 As\n0.339744 0.339744 0.339744 C\n0.269232 0.910256 0.910256 C\n0.910256 0.910256 0.269232 C\n0.910256 0.269232 0.910256 C\n0.339744 0.980768 0.339744 C\n0.980768 0.339744 0.339744 C\n0.339744 0.339744 0.980768 C\n0.910256 0.910256 0.910256 C\n0.482386 0.226185 0.313294 O\n0.226185 0.313294 0.482386 O\n0.313294 0.482386 0.226185 O\n0.271865 0.767614 0.936706 O\n0.570525 0.288425 0.570525 O\n0.023815 0.767614 0.271865 O\n0.767614 0.936706 0.271865 O\n0.288425 0.570525 0.570525 O\n0.570525 0.570525 0.288425 O\n0.271865 0.023815 0.767614 O\n0.271865 0.936706 0.023815 O\n0.570525 0.570525 0.570525 O\n0.936706 0.271865 0.767614 O\n0.936706 0.023815 0.271865 O\n0.767614 0.271865 0.023815 O\n0.226185 0.978135 0.313294 O\n0.023815 0.271865 0.936706 O\n0.482386 0.978135 0.226185 O\n0.313294 0.226185 0.978135 O\n0.313294 0.978135 0.482386 O\n0.679475 0.679475 0.679475 O\n0.978135 0.313294 0.226185 O\n0.978135 0.226185 0.482386 O\n0.961575 0.679475 0.679475 O\n0.679475 0.679475 0.961575 O\n0.482386 0.313294 0.978135 O\n0.226185 0.482386 0.978135 O\n0.679475 0.961575 0.679475 O\n0.978135 0.482386 0.313294 O\n0.936706 0.767614 0.023815 O\n0.023815 0.936706 0.767614 O\n0.767614 0.023815 0.936706 O\n",
"nsites": 58,
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"elements": [
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],
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"density": 2.9318647214209106,
"density_atomic": 0.08246719628457508,
"volume": 703.3099536918354,
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"formula_full": "Na12 Cr4 As2 C8 O32",
"formula_reduced": "Na6Cr2As(CO4)4",
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"updated_at": "2021-11-28T01:36:29.280000Z",
"spacegroup": 203
},
{
"id": "mp-1022484",
"created_at": "2022-09-04T14:44:16.321149Z",
"structure_string": "Mg12 Zr2 W2\n1.0\n5.044848 0.000000 0.000000\n0.000000 5.793847 0.000000\n0.000000 0.000000 11.342811\nMg Zr W\n12 2 2\ndirect\n0.500000 0.249766 0.425044 Mg\n0.500000 0.750234 0.425044 Mg\n0.000000 0.742189 0.083679 Mg\n0.000000 0.257811 0.083679 Mg\n0.000000 0.000000 0.325627 Mg\n0.000000 0.500000 0.311094 Mg\n0.500000 0.749766 0.925044 Mg\n0.500000 0.250234 0.925044 Mg\n0.000000 0.242189 0.583679 Mg\n0.000000 0.757811 0.583679 Mg\n0.000000 0.500000 0.825627 Mg\n0.000000 0.000000 0.811094 Mg\n0.500000 0.000000 0.174376 Zr\n0.500000 0.500000 0.674376 Zr\n0.500000 0.500000 0.171453 W\n0.500000 0.000000 0.671453 W\n",
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"elements": [
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],
"chemical_system": "Mg-W-Zr",
"density": 4.2161497142285125,
"density_atomic": 0.04825965122447401,
"volume": 331.53990122261575,
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"formula_full": "Mg12 Zr2 W2",
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"updated_at": "2021-11-28T01:36:31.126000Z",
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},
{
"id": "mp-542843",
"created_at": "2022-09-04T14:44:16.192587Z",
"structure_string": "Mg4 B8 P8 H32 O52\n1.0\n14.826326 0.000000 0.000000\n0.000000 7.807684 0.000000\n0.000000 0.066023 8.345217\nMg B P H O\n4 8 8 32 52\ndirect\n0.464316 0.249202 0.200046 Mg\n0.964316 0.750798 0.299954 Mg\n0.535684 0.750798 0.799954 Mg\n0.035684 0.249202 0.700046 Mg\n0.717311 0.916423 0.939238 B\n0.217311 0.083577 0.560762 B\n0.282689 0.083577 0.060762 B\n0.782689 0.916423 0.439238 B\n0.664335 0.416688 0.226699 B\n0.164335 0.583312 0.273301 B\n0.335665 0.583312 0.773301 B\n0.835665 0.416688 0.726699 B\n0.713045 0.566670 0.933943 P\n0.213045 0.433330 0.566057 P\n0.286955 0.433330 0.066057 P\n0.786955 0.566670 0.433943 P\n0.839035 0.065364 0.725216 P\n0.339035 0.934636 0.774784 P\n0.160965 0.934636 0.274784 P\n0.660965 0.065364 0.225216 P\n0.132854 0.959163 0.724699 H\n0.632854 0.040837 0.775301 H\n0.867146 0.040837 0.275301 H\n0.367146 0.959163 0.224699 H\n0.550291 0.548053 0.163867 H\n0.050291 0.451947 0.336133 H\n0.449709 0.451947 0.836133 H\n0.949709 0.548053 0.663867 H\n0.992817 0.244964 0.020707 H\n0.492817 0.755036 0.479293 H\n0.007183 0.755036 0.979293 H\n0.507183 0.244964 0.520707 H\n0.098062 0.209742 0.009063 H\n0.598062 0.790258 0.490937 H\n0.901938 0.790258 0.990937 H\n0.401938 0.209742 0.509063 H\n0.948838 0.276492 0.420072 H\n0.448838 0.723508 0.079928 H\n0.051162 0.723508 0.579928 H\n0.551162 0.276492 0.920072 H\n0.027806 0.145833 0.383341 H\n0.527806 0.854167 0.116659 H\n0.972194 0.854167 0.616659 H\n0.472194 0.145833 0.883341 H\n0.842124 0.230462 0.071993 H\n0.342124 0.769538 0.428007 H\n0.157876 0.769538 0.928007 H\n0.657876 0.230462 0.571993 H\n0.882716 0.358703 0.193530 H\n0.382716 0.641297 0.306470 H\n0.117284 0.641297 0.806470 H\n0.617284 0.358703 0.693530 H\n0.939569 0.044106 0.698125 O\n0.439569 0.955894 0.801875 O\n0.060431 0.955894 0.301875 O\n0.560431 0.044106 0.198125 O\n0.803159 0.545332 0.841404 O\n0.303159 0.454668 0.658596 O\n0.196841 0.454668 0.158596 O\n0.696841 0.545332 0.341404 O\n0.629145 0.548933 0.829944 O\n0.129145 0.451067 0.670056 O\n0.370855 0.451067 0.170056 O\n0.870855 0.548933 0.329944 O\n0.782165 0.046643 0.569040 O\n0.282165 0.953357 0.930960 O\n0.217835 0.953357 0.430960 O\n0.717835 0.046643 0.069040 O\n0.806167 0.935608 0.855256 O\n0.306167 0.064392 0.644744 O\n0.193833 0.064392 0.144744 O\n0.693833 0.935608 0.355256 O\n0.784455 0.433057 0.572959 O\n0.284455 0.566943 0.927041 O\n0.215545 0.566943 0.427041 O\n0.715545 0.433057 0.072959 O\n0.217506 0.253908 0.484958 O\n0.717506 0.746092 0.015042 O\n0.782494 0.746092 0.515042 O\n0.282494 0.253908 0.984958 O\n0.815088 0.245221 0.793660 O\n0.315088 0.754779 0.706340 O\n0.184912 0.754779 0.206340 O\n0.684912 0.245221 0.293660 O\n0.138820 0.068488 0.665485 O\n0.638820 0.931512 0.834515 O\n0.861180 0.931512 0.334515 O\n0.361180 0.068488 0.165485 O\n0.567581 0.433250 0.204662 O\n0.067581 0.566750 0.295338 O\n0.432419 0.566750 0.795338 O\n0.932419 0.433250 0.704662 O\n0.045017 0.241939 0.946271 O\n0.545017 0.758061 0.553729 O\n0.954983 0.758061 0.053729 O\n0.454983 0.241939 0.446271 O\n0.013027 0.256579 0.438247 O\n0.513027 0.743421 0.061753 O\n0.986973 0.743421 0.561753 O\n0.486973 0.256579 0.938247 O\n0.892984 0.244252 0.145977 O\n0.392984 0.755748 0.354023 O\n0.107016 0.755748 0.854023 O\n0.607016 0.244252 0.645977 O\n",
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"spacegroup": 14
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{
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"structure_string": "Ti4 H32 N8 F20\n1.0\n6.352765 0.000000 0.000000\n0.000000 7.752449 0.000000\n0.000000 0.000000 11.450593\nTi H N F\n4 32 8 20\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.901276 0.643000 0.386340 H\n0.401276 0.857000 0.113660 H\n0.098724 0.143000 0.613660 H\n0.598724 0.357000 0.886340 H\n0.098724 0.357000 0.613660 H\n0.598724 0.143000 0.886340 H\n0.901276 0.857000 0.386340 H\n0.401276 0.643000 0.113660 H\n0.872918 0.250000 0.590179 H\n0.372918 0.250000 0.909821 H\n0.127082 0.750000 0.409821 H\n0.627082 0.750000 0.090179 H\n0.979677 0.250000 0.725054 H\n0.479677 0.250000 0.774946 H\n0.020323 0.750000 0.274946 H\n0.927195 0.750000 0.633679 H\n0.978543 0.361097 0.251169 H\n0.478543 0.138903 0.248831 H\n0.021457 0.861097 0.748831 H\n0.521457 0.638903 0.751169 H\n0.021457 0.638903 0.748831 H\n0.521457 0.861097 0.751169 H\n0.978543 0.138903 0.251169 H\n0.478543 0.361097 0.248831 H\n0.186031 0.750000 0.656477 H\n0.686031 0.750000 0.843523 H\n0.813969 0.250000 0.343523 H\n0.313969 0.250000 0.156477 H\n0.572805 0.250000 0.133679 H\n0.072805 0.250000 0.366321 H\n0.427195 0.750000 0.866321 H\n0.520323 0.750000 0.225054 H\n0.042140 0.750000 0.697915 N\n0.542140 0.750000 0.802085 N\n0.957860 0.250000 0.302085 N\n0.457860 0.250000 0.197915 N\n0.011997 0.250000 0.636722 N\n0.511997 0.250000 0.863278 N\n0.488003 0.750000 0.136722 N\n0.988003 0.750000 0.363278 N\n0.415863 0.027839 0.669215 F\n0.915863 0.472161 0.830785 F\n0.584137 0.527839 0.330785 F\n0.084137 0.972161 0.169215 F\n0.915863 0.027839 0.830785 F\n0.415863 0.472161 0.669215 F\n0.084137 0.527839 0.169215 F\n0.584137 0.972161 0.330785 F\n0.117618 0.250000 0.013800 F\n0.277207 0.564338 0.953029 F\n0.222793 0.435662 0.453029 F\n0.722793 0.064338 0.046971 F\n0.222793 0.064338 0.453029 F\n0.722793 0.435662 0.046971 F\n0.777207 0.564338 0.546971 F\n0.277207 0.935662 0.953029 F\n0.382382 0.750000 0.513800 F\n0.882382 0.750000 0.986200 F\n0.617618 0.250000 0.486200 F\n0.777207 0.935662 0.546971 F\n",
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{
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