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{
"id": "mp-23879",
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{
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"structure_string": "Li4 Fe2 Ni3 Sn1 P6 O24\n1.0\n8.466314 0.000000 0.000000\n3.926949 7.654887 0.000000\n3.938502 2.463434 7.244592\nLi Fe Ni Sn P O\n4 2 3 1 6 24\ndirect\n0.254927 0.647060 0.850508 Li\n0.701201 0.358794 0.158100 Li\n0.362595 0.152456 0.701074 Li\n0.151846 0.697006 0.362067 Li\n0.984989 0.999438 0.995999 Fe\n0.512457 0.501932 0.497013 Fe\n0.857458 0.853004 0.851543 Ni\n0.644061 0.647915 0.645665 Ni\n0.353760 0.349301 0.352300 Ni\n0.146965 0.148361 0.152617 Sn\n0.749753 0.045424 0.458666 P\n0.447352 0.749385 0.043582 P\n0.055728 0.458833 0.752416 P\n0.943752 0.557185 0.255603 P\n0.559770 0.252760 0.946506 P\n0.254128 0.946341 0.557783 P\n0.889300 0.503723 0.700080 O\n0.689650 0.892354 0.485420 O\n0.946499 0.737697 0.088400 O\n0.451242 0.694601 0.896289 O\n0.978762 0.394834 0.193817 O\n0.750685 0.572471 0.404024 O\n0.749264 0.099486 0.924360 O\n0.550326 0.415676 0.764559 O\n0.825886 0.011819 0.602763 O\n0.401797 0.752067 0.573888 O\n0.898561 0.082468 0.249224 O\n0.606294 0.815978 0.991966 O\n0.398888 0.180867 0.988466 O\n0.101497 0.923186 0.750540 O\n0.592668 0.241974 0.437940 O\n0.189072 0.981484 0.397837 O\n0.436257 0.590985 0.238193 O\n0.241758 0.901908 0.085504 O\n0.250257 0.433242 0.591924 O\n0.046465 0.598803 0.820384 O\n0.525274 0.311871 0.106172 O\n0.081006 0.252929 0.902995 O\n0.315922 0.104752 0.522559 O\n0.101930 0.516630 0.324258 O\n",
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},
{
"id": "mp-1033200",
"created_at": "2022-09-04T14:39:17.491466Z",
"structure_string": "Mg6 Bi1 B1 O8\n1.0\n8.949509 0.000000 0.000000\n0.000000 4.449775 0.000000\n0.000000 0.000000 4.449775\nMg Bi B O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.265274 0.000000 0.500000 Mg\n0.734726 0.000000 0.500000 Mg\n0.265274 0.500000 0.000000 Mg\n0.734726 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 B\n0.271484 0.000000 0.000000 O\n0.728516 0.000000 0.000000 O\n0.268852 0.500000 0.500000 O\n0.731148 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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{
"id": "mp-40685",
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"structure_string": "Na2 Sm6 Ti4 Sb4 O28\n1.0\n7.347890 0.000000 0.000000\n0.000000 7.386865 0.000000\n0.000000 7.320640 10.413998\nNa Sm Ti Sb O\n2 6 4 4 28\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.227785 0.500000 0.750000 Sm\n0.243034 0.000000 0.750000 Sm\n0.772215 0.500000 0.250000 Sm\n0.500000 0.000000 0.500000 Sm\n0.756966 0.000000 0.250000 Sm\n0.500000 0.000000 0.000000 Sm\n0.262861 0.500000 0.250000 Ti\n0.500000 0.500000 0.000000 Ti\n0.737139 0.500000 0.750000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 Sb\n0.744925 0.000000 0.750000 Sb\n0.000000 0.500000 0.000000 Sb\n0.255075 0.000000 0.250000 Sb\n0.052914 0.556702 0.131653 O\n0.744286 0.130749 0.370950 O\n0.268971 0.179519 0.320888 O\n0.046872 0.171421 0.128313 O\n0.046872 0.828579 0.371687 O\n0.947086 0.556702 0.631653 O\n0.552954 0.573284 0.621985 O\n0.749833 0.576699 0.423079 O\n0.255714 0.130749 0.870950 O\n0.250167 0.423301 0.576921 O\n0.731029 0.179519 0.820888 O\n0.953128 0.171421 0.628313 O\n0.052914 0.443298 0.368347 O\n0.544948 0.176766 0.622741 O\n0.544948 0.823234 0.877259 O\n0.953128 0.828579 0.871687 O\n0.447046 0.573284 0.121985 O\n0.731029 0.820481 0.679112 O\n0.255714 0.869251 0.629050 O\n0.749833 0.423301 0.076921 O\n0.250167 0.576699 0.923079 O\n0.947086 0.443298 0.868347 O\n0.552954 0.426716 0.878015 O\n0.455052 0.176766 0.122741 O\n0.455052 0.823234 0.377259 O\n0.268971 0.820481 0.179112 O\n0.744286 0.869251 0.129050 O\n0.447046 0.426716 0.378015 O\n",
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"formula_full": "Na2 Sm6 Ti4 Sb4 O28",
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},
{
"id": "mp-1210463",
"created_at": "2022-09-04T14:39:08.059791Z",
"structure_string": "Na6 Cu2 F12\n1.0\n4.560690 0.000000 -3.161911\n0.000000 5.760849 0.000000\n4.551038 0.000000 6.541608\nNa Cu F\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.014680 0.442243 0.255301 Na\n0.985320 0.557757 0.744699 Na\n0.485320 0.942243 0.244699 Na\n0.514680 0.057757 0.755301 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.164757 0.721450 0.070338 F\n0.835243 0.278550 0.929662 F\n0.335243 0.221450 0.429662 F\n0.664757 0.778550 0.570338 F\n0.883829 0.056504 0.225705 F\n0.116171 0.943496 0.774295 F\n0.616171 0.556504 0.274295 F\n0.383829 0.443496 0.725705 F\n0.285095 0.175599 0.053341 F\n0.714905 0.824401 0.946659 F\n0.214905 0.675599 0.446659 F\n0.785095 0.324401 0.553341 F\n",
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{
"id": "mp-850794",
"created_at": "2022-09-04T14:39:08.765408Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.269477 0.000000 0.000000\n-0.091459 8.300713 0.000000\n-2.498590 -2.319213 8.604866\nLi Mn B O\n4 6 6 18\ndirect\n0.985445 0.369390 0.292369 Li\n0.335645 0.951286 0.357326 Li\n0.659319 0.043313 0.641767 Li\n0.307631 0.700397 0.955972 Li\n0.780893 0.029857 0.205761 Mn\n0.864898 0.629279 0.114287 Mn\n0.554092 0.305197 0.451367 Mn\n0.457638 0.690204 0.555927 Mn\n0.129951 0.357547 0.889223 Mn\n0.199782 0.967977 0.780384 Mn\n0.223467 0.133757 0.103711 B\n0.436494 0.526029 0.229364 B\n0.109183 0.179035 0.553366 B\n0.896502 0.824214 0.443973 B\n0.570333 0.489222 0.783679 B\n0.771780 0.851802 0.889586 B\n0.981450 0.176347 0.117406 O\n0.684951 0.810313 0.007799 O\n0.258014 0.576566 0.111009 O\n0.410013 0.090085 0.224164 O\n0.696159 0.506398 0.231312 O\n0.344138 0.488719 0.347271 O\n0.927697 0.227970 0.435234 O\n0.970089 0.831402 0.309081 O\n0.361540 0.148480 0.546411 O\n0.644627 0.846680 0.453808 O\n0.021927 0.147200 0.676282 O\n0.101768 0.806544 0.570443 O\n0.636395 0.506630 0.652612 O\n0.320782 0.503384 0.796300 O\n0.585904 0.900566 0.772616 O\n0.779520 0.464445 0.907243 O\n0.297291 0.148708 0.970334 O\n0.031520 0.839887 0.890811 O\n",
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"formula_full": "Li4 Mn6 B6 O18",
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{
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{
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{
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{
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{
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"structure_string": "Li12 Cu4 S8\n1.0\n5.292966 0.000000 0.000000\n0.000000 5.337763 0.000000\n0.000000 0.000000 12.076703\nLi Cu S\n12 4 8\ndirect\n0.000000 0.250000 0.748737 Li\n0.000000 0.750000 0.251263 Li\n0.241099 0.484114 0.427775 Li\n0.241099 0.984114 0.572225 Li\n0.258901 0.984114 0.072225 Li\n0.258901 0.484114 0.927775 Li\n0.500000 0.750000 0.751263 Li\n0.500000 0.250000 0.248737 Li\n0.741099 0.515886 0.072225 Li\n0.741099 0.015886 0.927775 Li\n0.758901 0.015886 0.427775 Li\n0.758901 0.515886 0.572225 Li\n0.000000 0.250000 0.244629 Cu\n0.000000 0.750000 0.755371 Cu\n0.500000 0.750000 0.255371 Cu\n0.500000 0.250000 0.744629 Cu\n0.247514 0.004449 0.371693 S\n0.247514 0.504449 0.628307 S\n0.252486 0.004449 0.871693 S\n0.252486 0.504449 0.128307 S\n0.747514 0.995551 0.128307 S\n0.747514 0.495551 0.871693 S\n0.752486 0.495551 0.371693 S\n0.752486 0.995551 0.628307 S\n",
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{
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"structure_string": "Na2 Be8 Sb2 O14\n1.0\n2.743826 -4.752446 0.000000\n2.743826 4.752446 0.000000\n0.000000 0.000000 8.944429\nNa Be Sb O\n2 8 2 14\ndirect\n0.666667 0.333333 0.125212 Na\n0.333333 0.666667 0.625212 Na\n0.834381 0.165619 0.813404 Be\n0.668761 0.834381 0.313404 Be\n0.165619 0.331239 0.313404 Be\n0.165619 0.834381 0.313404 Be\n0.000000 0.000000 0.060803 Be\n0.000000 0.000000 0.560803 Be\n0.331239 0.165619 0.813404 Be\n0.834381 0.668761 0.813404 Be\n0.666667 0.333333 0.500420 Sb\n0.333333 0.666667 0.000420 Sb\n0.839272 0.678544 0.628985 O\n0.000000 0.000000 0.375354 O\n0.000000 0.000000 0.875354 O\n0.160728 0.321456 0.128985 O\n0.678544 0.839272 0.128985 O\n0.839272 0.160728 0.628985 O\n0.494905 0.505095 0.371016 O\n0.989810 0.494905 0.871016 O\n0.505095 0.010190 0.871016 O\n0.494905 0.989810 0.371016 O\n0.010190 0.505095 0.371016 O\n0.505095 0.494905 0.871016 O\n0.160728 0.839272 0.128985 O\n0.321456 0.160728 0.628985 O\n",
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}