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{
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{
"id": "mp-771335",
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"structure_string": "Na6 Sn2 P2 C2 O14\n1.0\n7.051150 0.000000 0.000000\n0.000000 5.433186 0.000000\n0.000000 0.479573 9.385696\nNa Sn P C O\n6 2 2 2 14\ndirect\n0.524265 0.007481 0.015832 Na\n0.802584 0.496762 0.171428 Na\n0.522064 0.476234 0.489323 Na\n0.022064 0.523766 0.510677 Na\n0.302584 0.503238 0.828572 Na\n0.024265 0.992519 0.984168 Na\n0.248270 0.053017 0.315967 Sn\n0.748270 0.946983 0.684033 Sn\n0.761067 0.002571 0.326484 P\n0.261067 0.997429 0.673516 P\n0.259513 0.500264 0.143110 C\n0.759513 0.499736 0.856890 C\n0.275664 0.704206 0.068572 O\n0.234730 0.292475 0.080733 O\n0.885229 0.919743 0.202830 O\n0.559000 0.072103 0.263219 O\n0.267053 0.489361 0.282951 O\n0.838800 0.238030 0.392764 O\n0.747162 0.785436 0.441729 O\n0.247162 0.214564 0.558271 O\n0.338800 0.761970 0.607236 O\n0.767053 0.510639 0.717049 O\n0.059000 0.927897 0.736781 O\n0.385229 0.080257 0.797170 O\n0.734730 0.707525 0.919267 O\n0.775664 0.295794 0.931428 O\n",
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"formula_full": "Na6 Sn2 P2 C2 O14",
"formula_reduced": "Na3SnPCO7",
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"energy": -172.49049491,
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{
"id": "mp-758634",
"created_at": "2022-09-04T14:40:16.785866Z",
"structure_string": "Li4 P12 W8 O48\n1.0\n9.062223 0.000000 0.000000\n0.000000 9.221598 0.000000\n0.000000 0.000000 12.491770\nLi P W O\n4 12 8 48\ndirect\n0.146439 0.769009 0.250000 Li\n0.146439 0.730991 0.750000 Li\n0.853561 0.269009 0.250000 Li\n0.853561 0.230991 0.750000 Li\n0.033859 0.750000 0.000000 P\n0.033859 0.750000 0.500000 P\n0.398863 0.373327 0.132050 P\n0.398863 0.126673 0.632050 P\n0.398863 0.373327 0.367950 P\n0.398863 0.126673 0.867950 P\n0.601137 0.626673 0.867950 P\n0.601137 0.626673 0.632050 P\n0.601137 0.873327 0.132050 P\n0.601137 0.873327 0.367950 P\n0.966141 0.250000 0.000000 P\n0.966141 0.250000 0.500000 P\n0.246584 0.022949 0.099201 W\n0.246584 0.022949 0.400799 W\n0.246584 0.477051 0.599201 W\n0.246584 0.477051 0.900799 W\n0.753416 0.522949 0.099201 W\n0.753416 0.522949 0.400799 W\n0.753416 0.977051 0.900799 W\n0.753416 0.977051 0.599201 W\n0.055939 0.137130 0.438291 O\n0.055939 0.362870 0.561709 O\n0.055939 0.362870 0.938291 O\n0.055939 0.137130 0.061709 O\n0.132492 0.821898 0.088259 O\n0.132492 0.821898 0.411741 O\n0.132492 0.678102 0.911741 O\n0.132492 0.678102 0.588259 O\n0.206780 0.014717 0.250000 O\n0.206780 0.485283 0.750000 O\n0.304500 0.027045 0.561173 O\n0.304500 0.472955 0.061173 O\n0.304500 0.472955 0.438827 O\n0.304500 0.027045 0.938827 O\n0.343687 0.077230 0.750000 O\n0.343687 0.422770 0.250000 O\n0.366567 0.213322 0.381591 O\n0.366567 0.286678 0.618409 O\n0.366567 0.286678 0.881591 O\n0.366567 0.213322 0.118409 O\n0.436240 0.897774 0.123990 O\n0.436240 0.602226 0.623990 O\n0.436240 0.897774 0.376010 O\n0.436240 0.602226 0.876010 O\n0.563760 0.102226 0.876010 O\n0.563760 0.397774 0.123990 O\n0.563760 0.397774 0.376010 O\n0.563760 0.102226 0.623990 O\n0.633433 0.713322 0.118409 O\n0.633433 0.713322 0.381591 O\n0.633433 0.786678 0.881591 O\n0.633433 0.786678 0.618409 O\n0.656313 0.577230 0.750000 O\n0.656313 0.922770 0.250000 O\n0.695500 0.527045 0.561173 O\n0.695500 0.527045 0.938827 O\n0.695500 0.972955 0.061173 O\n0.695500 0.972955 0.438827 O\n0.793220 0.514717 0.250000 O\n0.793220 0.985283 0.750000 O\n0.867508 0.178102 0.588259 O\n0.867508 0.321898 0.411741 O\n0.867508 0.321898 0.088259 O\n0.867508 0.178102 0.911741 O\n0.944061 0.862870 0.938291 O\n0.944061 0.637130 0.061709 O\n0.944061 0.637130 0.438291 O\n0.944061 0.862870 0.561709 O\n",
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"elements": [
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"formula_full": "Li4 P12 W8 O48",
"formula_reduced": "LiP3(WO6)2",
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"spacegroup": 57
},
{
"id": "mp-530081",
"created_at": "2022-09-04T14:40:17.221372Z",
"structure_string": "Mo30 N32\n1.0\n5.737461 5.642660 0.000000\n-5.737461 5.642660 0.000000\n0.000000 0.004813 9.960035\nMo N\n30 32\ndirect\n0.495021 0.745738 0.010278 Mo\n0.495047 0.744055 0.501063 Mo\n0.613355 0.628507 0.244322 Mo\n0.628507 0.613355 0.744322 Mo\n0.997175 0.743991 0.492569 Mo\n0.745738 0.495021 0.510278 Mo\n0.744055 0.495047 0.001063 Mo\n0.994311 0.743455 0.997795 Mo\n0.877166 0.388887 0.746150 Mo\n0.116051 0.625588 0.256912 Mo\n0.866197 0.353002 0.243230 Mo\n0.245161 0.497145 0.987552 Mo\n0.996940 0.244641 0.008441 Mo\n0.993025 0.244512 0.502137 Mo\n0.242834 0.494704 0.498631 Mo\n0.115107 0.126914 0.243739 Mo\n0.367648 0.375802 0.757015 Mo\n0.126914 0.115107 0.743739 Mo\n0.375802 0.367648 0.257015 Mo\n0.244641 0.996940 0.508441 Mo\n0.497145 0.245161 0.487552 Mo\n0.244512 0.993025 0.002137 Mo\n0.494704 0.242834 0.998631 Mo\n0.353002 0.866197 0.743230 Mo\n0.388887 0.877166 0.246150 Mo\n0.625588 0.116051 0.756912 Mo\n0.743455 0.994311 0.497795 Mo\n0.743991 0.997175 0.992569 Mo\n0.865921 0.876629 0.755133 Mo\n0.876629 0.865921 0.255133 Mo\n0.248315 0.745705 0.916008 N\n0.372382 0.618977 0.667708 N\n0.363677 0.615966 0.166036 N\n0.497991 0.499418 0.916549 N\n0.749245 0.749055 0.583939 N\n0.499418 0.497991 0.416549 N\n0.615966 0.363677 0.666036 N\n0.618977 0.372382 0.167708 N\n0.863213 0.613334 0.333894 N\n0.874133 0.623635 0.834951 N\n0.999546 0.497813 0.582629 N\n0.745705 0.248315 0.416008 N\n0.748316 0.248905 0.918045 N\n0.997268 0.497257 0.083504 N\n0.117826 0.370020 0.832127 N\n0.865933 0.112444 0.165609 N\n0.870632 0.123850 0.666973 N\n0.119342 0.370099 0.333973 N\n0.998655 0.996836 0.915467 N\n0.249050 0.248630 0.083669 N\n0.996836 0.998655 0.415467 N\n0.248630 0.249050 0.583669 N\n0.370020 0.117826 0.332127 N\n0.112444 0.865933 0.665609 N\n0.123850 0.870632 0.166973 N\n0.370099 0.119342 0.833973 N\n0.497257 0.997268 0.583504 N\n0.248905 0.748316 0.418045 N\n0.497813 0.999546 0.082629 N\n0.613334 0.863213 0.833894 N\n0.623635 0.874133 0.334951 N\n0.749055 0.749245 0.083939 N\n",
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"spacegroup": 9
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{
"id": "mp-554573",
"created_at": "2022-09-04T14:40:17.224423Z",
"structure_string": "Si4 O8\n1.0\n2.532216 -4.459465 0.000000\n2.532216 4.459465 0.000000\n0.000000 0.000000 8.378767\nSi O\n4 8\ndirect\n0.330368 0.660627 0.062604 Si\n0.660627 0.330368 0.562604 Si\n0.330368 0.660627 0.437396 Si\n0.660627 0.330368 0.937396 Si\n0.406867 0.406867 0.000000 O\n0.969252 0.528659 0.459356 O\n0.737438 0.417013 0.750000 O\n0.528659 0.969252 0.540644 O\n0.417013 0.737438 0.250000 O\n0.528659 0.969252 0.959356 O\n0.406867 0.406867 0.500000 O\n0.969252 0.528659 0.040644 O\n",
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{
"id": "mp-1216088",
"created_at": "2022-09-04T14:40:16.400341Z",
"structure_string": "Zn8 P18 N36 Cl3\n1.0\n4.169286 13.090959 0.000000\n-4.169286 13.090959 0.000000\n0.000000 2.582430 7.869971\nZn P N Cl\n8 18 36 3\ndirect\n0.881195 0.903886 0.428933 Zn\n0.896298 0.217602 0.112460 Zn\n0.242000 0.545404 0.786484 Zn\n0.570750 0.880788 0.453125 Zn\n0.096114 0.118805 0.571067 Zn\n0.782398 0.103702 0.887540 Zn\n0.119212 0.429250 0.546875 Zn\n0.454596 0.758000 0.213516 Zn\n0.167401 0.833915 0.749860 P\n0.497072 0.170519 0.416182 P\n0.834938 0.500375 0.082582 P\n0.916941 0.083059 0.500000 P\n0.250702 0.416867 0.167868 P\n0.583133 0.749298 0.832132 P\n0.083298 0.751305 0.083851 P\n0.414949 0.085527 0.755408 P\n0.748448 0.417619 0.417385 P\n0.748674 0.916762 0.165141 P\n0.083238 0.251326 0.834859 P\n0.417157 0.582843 0.500000 P\n0.499625 0.165062 0.917418 P\n0.829481 0.502928 0.583818 P\n0.166085 0.832599 0.250140 P\n0.582381 0.251552 0.582615 P\n0.914473 0.585051 0.244592 P\n0.248695 0.916702 0.916149 P\n0.996372 0.945616 0.389317 N\n0.340245 0.274904 0.060252 N\n0.665785 0.613139 0.720547 N\n0.904716 0.855330 0.204826 N\n0.239986 0.184744 0.868154 N\n0.575926 0.515139 0.534214 N\n0.633660 0.125517 0.481785 N\n0.960459 0.466936 0.144713 N\n0.291021 0.801440 0.815711 N\n0.609227 0.000441 0.334679 N\n0.943883 0.331195 0.002692 N\n0.274473 0.667875 0.666578 N\n0.180932 0.577047 0.034913 N\n0.516227 0.909821 0.701656 N\n0.854853 0.238929 0.366332 N\n0.461364 0.298731 0.760247 N\n0.792913 0.633664 0.425886 N\n0.127927 0.967595 0.096424 N\n0.054384 0.003628 0.610683 N\n0.386861 0.334215 0.279453 N\n0.725096 0.659755 0.939748 N\n0.484861 0.424074 0.465786 N\n0.815256 0.760014 0.131846 N\n0.144670 0.095284 0.795174 N\n0.198560 0.708979 0.184289 N\n0.533064 0.039541 0.855287 N\n0.874483 0.366340 0.518215 N\n0.668805 0.056117 0.997308 N\n0.999559 0.390773 0.665321 N\n0.332125 0.725527 0.333422 N\n0.761071 0.145147 0.633668 N\n0.090179 0.483773 0.298344 N\n0.422953 0.819068 0.965087 N\n0.032405 0.872073 0.903576 N\n0.366336 0.207087 0.574114 N\n0.701269 0.538636 0.239753 N\n0.017563 0.658337 0.647109 Cl\n0.341663 0.982437 0.352891 Cl\n0.695316 0.304684 0.000000 Cl\n",
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],
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"formula_full": "Zn8 P18 N36 Cl3",
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},
{
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