text stringlengths 140 560 |
|---|
<forme>-1.55<forme><bg>0.0<bg><abc>3.551 3.551 6.241<abc><angles>73.471 73.471 60.000<angles><comp>La1 U1 N2<comp><coord>La 0.000 0.000 0.000 U 0.500 0.500 0.500 N 0.232 0.232 0.304 N 0.768 0.768 0.696 <coord> |
<forme>-0.87<forme><bg>0.0<bg><abc>4.499 4.499 10.523<abc><angles>90.000 90.000 90.000<angles><comp>La2 Sb4 Au2<comp><coord>La 0.000 0.500 0.253 La 0.500 0.000 0.747 Sb 0.000 0.000 0.500 Sb 0.500 0.500 0.500 Sb 0.000 0.500 0.827 Sb 0.500 0.000 0.173 Au 0.000 0.000 0.000 Au 0.500 0.500 0.000 <coord> |
<forme>-0.33<forme><bg>1.15<bg><abc>5.786 6.193 6.193<abc><angles>106.256 90.000 90.000<angles><comp>K4 Cu2 P2<comp><coord>K 0.250 0.314 0.975 K 0.250 0.975 0.314 K 0.750 0.686 0.025 K 0.750 0.025 0.686 Cu 0.500 0.500 0.500 Cu 0.000 0.500 0.500 P 0.250 0.732 0.732 P 0.750 0.268 0.268 <coord> |
<forme>-0.91<forme><bg>0.0<bg><abc>4.909 4.909 4.909<abc><angles>90.000 90.000 90.000<angles><comp>Al4 Pd4<comp><coord>Al 0.844 0.844 0.844 Al 0.656 0.156 0.344 Al 0.344 0.656 0.156 Al 0.156 0.344 0.656 Pd 0.147 0.147 0.147 Pd 0.353 0.853 0.647 Pd 0.647 0.353 0.853 Pd 0.853 0.647 0.353 <coord> |
<forme>-0.04<forme><bg>0.0<bg><abc>2.479 2.479 10.166<abc><angles>94.741 94.741 108.782<angles><comp>V1 Fe4<comp><coord>V 0.000 0.000 0.000 Fe 0.601 0.601 0.202 Fe 0.200 0.200 0.400 Fe 0.800 0.800 0.600 Fe 0.399 0.399 0.798 <coord> |
<forme>-3.3<forme><bg>0.0<bg><abc>5.113 5.113 5.517<abc><angles>62.397 62.397 60.000<angles><comp>Ti4 O6<comp><coord>Ti 0.154 0.154 0.537 Ti 0.846 0.846 0.463 Ti 0.654 0.654 0.037 Ti 0.346 0.346 0.963 O 0.938 0.250 0.250 O 0.250 0.562 0.250 O 0.562 0.938 0.250 O 0.062 0.750 0.750 O 0.750 0.438 0.750 O 0.438 0.062 0.750 <coord> |
<forme>-0.35<forme><bg>1.49<bg><abc>5.328 6.149 5.328<abc><angles>115.669 90.000 115.669<angles><comp>Cu2 B2 Se4<comp><coord>Cu 0.000 0.000 0.000 Cu 0.250 0.500 0.750 B 0.500 0.000 0.500 B 0.750 0.500 0.250 Se 0.125 0.750 0.578 Se 0.625 0.750 0.172 Se 0.828 0.250 0.875 Se 0.422 0.250 0.375 <coord> |
<forme>-1.6<forme><bg>2.9<bg><abc>6.919 7.877 7.877<abc><angles>60.000 90.000 90.000<angles><comp>Cs2 Cd2 Br6<comp><coord>Cs 0.250 0.333 0.333 Cs 0.750 0.667 0.667 Cd 0.000 0.000 0.000 Cd 0.500 0.000 0.000 Br 0.750 0.164 0.673 Br 0.250 0.836 0.836 Br 0.250 0.327 0.836 Br 0.750 0.673 0.164 Br 0.750 0.164 0.164 Br 0.250 0.836 0.327 <coord> |
<forme>-0.47<forme><bg>1.72<bg><abc>4.696 4.696 4.696<abc><angles>60.000 60.000 60.000<angles><comp>Ag1 I1<comp><coord>Ag 0.000 0.000 0.000 I 0.250 0.250 0.250 <coord> |
<forme>-3.45<forme><bg>0.0<bg><abc>3.918 3.918 6.806<abc><angles>106.728 106.728 90.000<angles><comp>Eu2 Ti1 O4<comp><coord>Eu 0.355 0.355 0.711 Eu 0.645 0.645 0.289 Ti 0.000 0.000 0.000 O 0.164 0.164 0.327 O 0.836 0.836 0.673 O 0.500 1.000 1.000 O 0.000 0.500 0.000 <coord> |
<forme>-0.62<forme><bg>0.0<bg><abc>5.039 5.039 5.039<abc><angles>60.000 60.000 60.000<angles><comp>Tm2 Ag1 Au1<comp><coord>Tm 0.750 0.750 0.750 Tm 0.250 0.250 0.250 Ag 0.500 0.500 0.500 Au 0.000 0.000 0.000 <coord> |
<forme>-1.34<forme><bg>1.04<bg><abc>7.556 7.556 7.556<abc><angles>60.000 60.000 60.000<angles><comp>K2 Re1 Br6<comp><coord>K 0.750 0.750 0.750 K 0.250 0.250 0.250 Re 0.000 0.000 0.000 Br 0.237 0.763 0.763 Br 0.763 0.237 0.763 Br 0.763 0.763 0.237 Br 0.237 0.763 0.237 Br 0.237 0.237 0.763 Br 0.763 0.237 0.237 <coord> |
<forme>-2.84<forme><bg>1.52<bg><abc>4.347 4.347 4.347<abc><angles>90.000 90.000 90.000<angles><comp>Pa1 Ag1 O3<comp><coord>Pa 0.500 0.500 0.500 Ag 0.000 0.000 0.000 O 0.500 0.500 0.000 O 0.500 0.000 0.500 O 0.000 0.500 0.500 <coord> |
<forme>-0.85<forme><bg>0.0<bg><abc>7.637 7.637 7.637<abc><angles>70.837 70.837 70.837<angles><comp>Ca9 Pt6<comp><coord>Ca 0.000 0.000 0.000 Ca 0.333 0.601 0.847 Ca 0.800 0.800 0.800 Ca 0.399 0.153 0.667 Ca 0.847 0.333 0.601 Ca 0.153 0.667 0.399 Ca 0.601 0.847 0.333 Ca 0.200 0.200 0.200 Ca 0.667 0.399 0.153 Pt 0.586 0.161 0.954 Pt 0.046 0.414 0.839 Pt 0.161 0.954 0.586 Pt 0.839 0.046 0.414 Pt 0.954 0.586 0.161 Pt 0.414 0.839 0.046 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>4.273 4.273 4.273<abc><angles>90.000 90.000 90.000<angles><comp>Pa1 Ge3<comp><coord>Pa 0.000 0.000 0.000 Ge 0.000 0.500 0.500 Ge 0.500 0.000 0.500 Ge 0.500 0.500 0.000 <coord> |
<forme>-3.5<forme><bg>5.03<bg><abc>5.553 5.563 7.908<abc><angles>109.756 96.771 110.368<angles><comp>Ta2 F10<comp><coord>Ta 0.004 1.000 1.000 Ta 0.999 0.498 0.499 F 0.928 0.178 0.248 F 0.076 0.819 0.750 F 0.790 0.631 0.382 F 0.249 0.902 0.117 F 0.281 0.350 0.053 F 0.301 0.719 0.447 F 0.727 0.650 0.949 F 0.696 0.278 0.549 F 0.761 0.095 0.878 F 0.206 0.363 0.615 <coord> |
<forme>-3.71<forme><bg>0.06<bg><abc>4.160 6.777 6.873<abc><angles>119.541 90.000 90.000<angles><comp>U3 O8<comp><coord>U 0.000 0.962 0.000 U 0.000 0.668 0.347 U 0.000 0.321 0.653 O 0.000 0.581 0.000 O 0.500 0.954 0.000 O 0.000 0.073 0.755 O 0.000 0.318 0.245 O 0.000 0.988 0.338 O 0.000 0.650 0.662 O 0.500 0.675 0.355 O 0.500 0.320 0.645 <coord> |
<forme>-0.99<forme><bg>0.0<bg><abc>8.584 8.584 8.584<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Tl1 Au1 I6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Tl 0.000 0.000 0.000 Au 0.500 0.500 0.500 I 0.261 0.739 0.261 I 0.261 0.261 0.739 I 0.739 0.261 0.739 I 0.261 0.739 0.739 I 0.739 0.261 0.261 I 0.739 0.739 0.261 <coord> |
<forme>-0.42<forme><bg>0.0<bg><abc>5.231 5.231 5.231<abc><angles>60.000 60.000 60.000<angles><comp>Pr1 Cd1 Hg2<comp><coord>Pr 0.000 0.000 0.000 Cd 0.500 0.500 0.500 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 <coord> |
<forme>-1.0<forme><bg>0.0<bg><abc>3.396 3.396 13.461<abc><angles>90.000 90.000 120.000<angles><comp>Nb1 W1 Se4<comp><coord>Nb 0.667 0.333 0.500 W 0.000 0.000 0.000 Se 0.000 0.000 0.372 Se 0.667 0.333 0.123 Se 0.667 0.333 0.877 Se 0.000 0.000 0.628 <coord> |
<forme>-1.06<forme><bg>1.16<bg><abc>4.434 4.434 7.386<abc><angles>90.000 90.000 120.000<angles><comp>Lu1 Ag1 Te2<comp><coord>Lu 0.000 0.000 0.411 Ag 0.667 0.333 0.000 Te 0.333 0.667 0.171 Te 0.667 0.333 0.625 <coord> |
<forme>-1.59<forme><bg>0.0<bg><abc>5.214 5.214 5.214<abc><angles>90.000 90.000 90.000<angles><comp>Sr3 Pb1 O1<comp><coord>Sr 0.500 0.000 0.500 Sr 0.000 0.500 0.500 Sr 0.500 0.500 0.000 Pb 0.000 0.000 0.000 O 0.500 0.500 0.500 <coord> |
<forme>-1.98<forme><bg>0.35<bg><abc>3.059 3.638 5.553<abc><angles>109.111 105.987 90.000<angles><comp>Li2 Mn1 O2<comp><coord>Li 0.277 0.777 0.554 Li 0.723 0.223 0.446 Mn 1.000 0.500 0.000 O 0.354 0.354 0.708 O 0.646 0.646 0.292 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>4.110 4.110 4.110<abc><angles>90.000 90.000 90.000<angles><comp>Gd1 B6<comp><coord>Gd 0.000 0.000 0.000 B 0.199 0.500 0.500 B 0.500 0.500 0.801 B 0.500 0.500 0.199 B 0.500 0.199 0.500 B 0.500 0.801 0.500 B 0.801 0.500 0.500 <coord> |
<forme>-2.56<forme><bg>0.0<bg><abc>5.915 5.915 5.915<abc><angles>60.587 60.587 60.587<angles><comp>Li2 Ti1 Cr3 O8<comp><coord>Li 0.875 0.875 0.875 Li 0.125 0.125 0.125 Ti 0.500 0.500 0.500 Cr 0.500 0.000 0.500 Cr 0.000 0.500 0.500 Cr 0.500 0.500 0.000 O 0.737 0.737 0.737 O 0.736 0.736 0.288 O 0.288 0.736 0.736 O 0.736 0.288 0.736 O 0.264 0.712 0.264 O 0.712 0.264 0.264 O 0.264 0.264 0.712 O 0.263 0.263 0.263 <coord> |
<forme>-0.26<forme><bg>0.0<bg><abc>7.279 7.279 7.279<abc><angles>109.471 109.471 109.471<angles><comp>Ce8 C12<comp><coord>Ce 0.401 0.401 0.901 Ce 0.000 0.500 0.099 Ce 0.599 0.000 0.000 Ce 0.500 0.599 0.500 Ce 0.099 0.000 0.000 Ce 0.500 0.099 0.500 Ce 0.000 0.500 0.599 Ce 0.901 0.901 0.401 C 0.957 0.207 0.750 C 0.793 0.043 0.750 C 0.457 0.750 0.207 C 0.750 0.707 0.957 C 0.043 0.250 0.293 C 0.250 0.793 0.543 C 0.543 0.293 0.250 C 0.750 0.543 0.793 C 0.707 0.457 0.250 C 0.293 0.750 0.043 C 0.207 0.250 0.457 C 0.250 0.957 0.707 <coord> |
<forme>-1.73<forme><bg>1.79<bg><abc>5.317 5.317 5.629<abc><angles>118.180 89.997 120.000<angles><comp>Ni2 O6 Sn2<comp><coord>Ni 0.353 0.707 0.060 Ni 0.647 0.293 0.940 O 0.753 0.202 0.252 O 0.050 0.802 0.252 O 0.550 0.501 0.748 O 0.450 0.499 0.252 O 0.950 0.198 0.748 O 0.247 0.798 0.748 Sn 0.146 0.292 0.439 Sn 0.854 0.708 0.561 <coord> |
<forme>-2.11<forme><bg>0.27<bg><abc>2.978 7.898 8.136<abc><angles>104.668 90.000 100.867<angles><comp>Li6 Mn4 O10<comp><coord>Li 0.191 0.382 0.098 Li 0.000 0.000 0.500 Li 0.809 0.618 0.902 Li 0.599 0.198 0.285 Li 0.401 0.802 0.715 Li 0.000 0.000 0.000 Mn 0.596 0.192 0.806 Mn 0.404 0.808 0.194 Mn 0.197 0.393 0.596 Mn 0.803 0.607 0.404 O 0.013 0.025 0.758 O 0.812 0.624 0.168 O 0.602 0.203 0.562 O 0.396 0.793 0.966 O 0.201 0.403 0.362 O 0.398 0.797 0.438 O 0.188 0.376 0.832 O 0.987 0.975 0.242 O 0.799 0.597 0.638 O 0.604 0.207 0.034 <coord> |
<forme>-2.0<forme><bg>0.0<bg><abc>4.089 4.089 4.089<abc><angles>60.000 60.000 60.000<angles><comp>Y1 Se1<comp><coord>Y 0.500 0.500 0.500 Se 0.000 0.000 0.000 <coord> |
<forme>-0.87<forme><bg>0.0<bg><abc>4.409 4.409 10.211<abc><angles>90.000 90.000 90.000<angles><comp>La2 Al4 Pd4<comp><coord>La 0.000 0.500 0.249 La 0.500 0.000 0.751 Al 0.000 0.000 0.500 Al 0.500 0.500 0.500 Al 0.000 0.500 0.877 Al 0.500 0.000 0.123 Pd 0.000 0.000 0.000 Pd 0.500 0.500 0.000 Pd 0.000 0.500 0.630 Pd 0.500 0.000 0.370 <coord> |
<forme>-2.54<forme><bg>0.1<bg><abc>5.736 6.840 7.463<abc><angles>104.023 90.000 114.793<angles><comp>Ba1 Sr2 Y2 Cu2 Pt1 O10<comp><coord>Ba 0.351 0.702 0.973 Sr 0.500 0.001 0.500 Sr 0.650 0.300 0.025 Y 0.188 0.377 0.373 Y 0.811 0.622 0.627 Cu 0.913 0.826 0.302 Cu 0.087 0.173 0.697 Pt 0.999 0.998 0.001 O 0.251 0.041 0.218 O 0.790 0.041 0.218 O 0.752 0.966 0.783 O 0.213 0.966 0.783 O 0.166 0.333 0.048 O 0.827 0.655 0.953 O 0.588 0.648 0.381 O 0.061 0.648 0.381 O 0.413 0.351 0.618 O 0.939 0.351 0.618 <coord> |
<forme>-0.19<forme><bg>0.0<bg><abc>5.609 7.258 7.258<abc><angles>120.000 90.000 90.000<angles><comp>La6 Hg2<comp><coord>La 0.750 0.823 0.177 La 0.750 0.354 0.177 La 0.750 0.823 0.646 La 0.250 0.177 0.823 La 0.250 0.646 0.823 La 0.250 0.177 0.354 Hg 0.250 0.667 0.333 Hg 0.750 0.333 0.667 <coord> |
<forme>-1.51<forme><bg>3.09<bg><abc>4.895 7.035 8.709<abc><angles>90.000 90.000 109.039<angles><comp>Sn2 Se4 O12<comp><coord>Sn 0.000 0.500 0.500 Sn 0.500 0.000 0.000 Se 0.174 0.315 0.148 Se 0.674 0.815 0.352 Se 0.826 0.685 0.852 Se 0.326 0.185 0.648 O 0.844 0.259 0.058 O 0.922 0.697 0.659 O 0.764 0.916 0.846 O 0.736 0.584 0.346 O 0.156 0.741 0.942 O 0.344 0.759 0.442 O 0.236 0.084 0.154 O 0.578 0.803 0.159 O 0.422 0.197 0.841 O 0.656 0.241 0.558 O 0.078 0.303 0.341 O 0.264 0.416 0.654 <coord> |
<forme>-0.35<forme><bg>0.0<bg><abc>5.409 5.409 5.409<abc><angles>60.000 60.000 60.000<angles><comp>Sm1 Ho1 Tl2<comp><coord>Sm 0.000 0.000 0.000 Ho 0.500 0.500 0.500 Tl 0.750 0.750 0.750 Tl 0.250 0.250 0.250 <coord> |
<forme>-2.49<forme><bg>0.0<bg><abc>3.912 4.444 6.576<abc><angles>70.254 90.000 90.000<angles><comp>K2 Cu1 F4<comp><coord>K 0.500 0.648 0.705 K 0.500 0.352 0.295 Cu 0.000 0.000 0.000 F 0.000 0.500 1.000 F 0.500 0.000 0.000 F 1.000 0.841 0.317 F 0.000 0.159 0.683 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>3.800 5.960 7.021<abc><angles>90.000 90.000 90.000<angles><comp>Co4 As4 Rh4<comp><coord>Co 0.750 0.143 0.062 Co 0.250 0.857 0.938 Co 0.750 0.643 0.438 Co 0.250 0.357 0.562 As 0.750 0.262 0.375 As 0.250 0.238 0.875 As 0.250 0.738 0.625 As 0.750 0.762 0.125 Rh 0.250 0.466 0.170 Rh 0.250 0.966 0.330 Rh 0.750 0.034 0.670 Rh 0.750 0.534 0.830 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>6.522 6.522 6.522<abc><angles>90.870 90.870 90.870<angles><comp>Te8 Ir3<comp><coord>Te 0.877 0.132 0.630 Te 0.132 0.630 0.877 Te 0.630 0.877 0.132 Te 0.368 0.368 0.368 Te 0.123 0.868 0.370 Te 0.868 0.370 0.123 Te 0.370 0.123 0.868 Te 0.632 0.632 0.632 Ir 0.500 0.500 1.000 Ir 0.500 1.000 0.500 Ir 0.000 0.500 0.500 <coord> |
<forme>-0.76<forme><bg>0.0<bg><abc>5.357 5.357 5.357<abc><angles>104.901 104.901 119.059<angles><comp>Hf4 Si2 H2<comp><coord>Hf 0.836 0.664 0.500 Hf 0.164 0.336 0.500 Hf 0.664 0.164 0.827 Hf 0.336 0.836 0.173 Si 0.750 0.750 1.000 Si 0.250 0.250 1.000 H 0.250 0.750 0.500 H 0.750 0.250 0.500 <coord> |
<forme>-0.66<forme><bg>2.26<bg><abc>6.958 6.958 12.025<abc><angles>99.285 99.285 116.251<angles><comp>Ge6 S12<comp><coord>Ge 0.990 0.733 0.726 Ge 0.005 0.005 0.000 Ge 0.255 0.755 0.500 Ge 0.007 0.264 0.274 Ge 0.983 0.740 0.226 Ge 0.514 0.757 0.774 S 0.669 0.984 0.955 S 0.646 0.516 0.742 S 0.964 0.779 0.545 S 0.323 0.918 0.353 S 0.774 0.904 0.258 S 0.220 0.315 0.147 S 0.234 0.419 0.455 S 0.029 0.714 0.045 S 0.565 0.970 0.647 S 0.766 0.396 0.242 S 0.154 0.524 0.758 S 0.168 0.073 0.853 <coord> |
<forme>-2.93<forme><bg>5.73<bg><abc>4.246 4.246 11.711<abc><angles>100.348 100.348 90.525<angles><comp>Cs3 Li2 F5<comp><coord>Cs 0.049 0.951 1.000 Cs 0.684 0.590 0.274 Cs 0.410 0.316 0.726 Li 0.844 0.717 0.561 Li 0.283 0.156 0.439 F 0.550 0.450 1.000 F 0.907 0.821 0.728 F 0.234 0.766 0.500 F 0.734 0.266 0.500 F 0.179 0.093 0.272 <coord> |
<forme>-0.83<forme><bg>0.0<bg><abc>5.938 7.029 7.572<abc><angles>90.000 90.000 90.000<angles><comp>Ce4 Al4 Pd8<comp><coord>Ce 0.341 0.750 0.033 Ce 0.159 0.750 0.533 Ce 0.659 0.250 0.967 Ce 0.841 0.250 0.467 Al 0.657 0.750 0.383 Al 0.843 0.750 0.883 Al 0.343 0.250 0.617 Al 0.157 0.250 0.117 Pd 0.915 0.550 0.179 Pd 0.585 0.950 0.679 Pd 0.085 0.050 0.821 Pd 0.415 0.450 0.321 Pd 0.085 0.450 0.821 Pd 0.415 0.050 0.321 Pd 0.915 0.950 0.179 Pd 0.585 0.550 0.679 <coord> |
<forme>-0.18<forme><bg>0.0<bg><abc>5.054 5.094 5.094<abc><angles>61.898 60.264 60.264<angles><comp>Ho2 Fe2 Co2<comp><coord>Ho 0.875 0.375 0.875 Ho 0.125 0.625 0.125 Fe 1.000 0.000 0.500 Fe 0.500 0.000 0.500 Co 0.500 0.500 0.500 Co 0.500 0.000 0.000 <coord> |
<forme>-2.59<forme><bg>0.0<bg><abc>6.222 6.222 6.222<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 Eu1 Bi1 O6<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 Eu 0.500 0.500 0.500 Bi 0.000 0.000 0.000 O 0.242 0.758 0.242 O 0.758 0.242 0.758 O 0.758 0.242 0.242 O 0.242 0.758 0.758 O 0.758 0.758 0.242 O 0.242 0.242 0.758 <coord> |
<forme>-0.51<forme><bg>0.0<bg><abc>3.762 6.402 11.947<abc><angles>90.000 90.000 107.087<angles><comp>Sr2 Ni10 As6<comp><coord>Sr 0.836 0.672 0.750 Sr 0.164 0.328 0.250 Ni 0.807 0.614 0.067 Ni 0.193 0.386 0.567 Ni 0.000 0.000 0.000 Ni 0.000 0.000 0.500 Ni 0.452 0.903 0.355 Ni 0.548 0.097 0.645 Ni 0.548 0.097 0.855 Ni 0.807 0.614 0.433 Ni 0.193 0.386 0.933 Ni 0.452 0.903 0.145 As 0.379 0.758 0.541 As 0.887 0.773 0.250 As 0.379 0.758 0.959 As 0.621 0.242 0.041 As 0.113 0.227 0.750 As 0.621 0.242 0.459 <coord> |
<forme>-0.78<forme><bg>0.0<bg><abc>4.175 4.175 5.724<abc><angles>111.391 111.391 90.000<angles><comp>Tb1 Si3 Rh1<comp><coord>Tb 0.999 0.999 0.997 Si 0.415 0.415 0.829 Si 0.264 0.764 0.528 Si 0.764 0.264 0.528 Rh 0.653 0.653 0.305 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>6.750 6.904 6.884<abc><angles>90.000 70.207 90.000<angles><comp>U4 Si8 W6<comp><coord>U 0.557 0.335 0.814 U 0.943 0.835 0.186 U 0.443 0.665 0.186 U 0.057 0.165 0.814 Si 0.868 0.132 0.499 Si 0.632 0.632 0.501 Si 0.132 0.868 0.501 Si 0.368 0.368 0.499 Si 0.132 0.456 0.088 Si 0.368 0.956 0.912 Si 0.632 0.044 0.088 Si 0.868 0.544 0.912 W 0.747 0.337 0.245 W 0.753 0.837 0.755 W 0.000 0.500 0.500 W 0.500 0.000 0.500 W 0.253 0.663 0.755 W 0.247 0.163 0.245 <coord> |
<forme>-0.63<forme><bg>0.0<bg><abc>6.134 6.497 6.497<abc><angles>74.830 71.592 71.592<angles><comp>Ba2 As6<comp><coord>Ba 0.664 0.165 0.165 Ba 0.336 0.835 0.835 As 0.817 0.096 0.626 As 0.183 0.374 0.904 As 0.796 0.496 0.496 As 0.204 0.504 0.504 As 0.817 0.626 0.096 As 0.183 0.904 0.374 <coord> |
<forme>-1.38<forme><bg>0.0<bg><abc>4.359 4.359 9.562<abc><angles>90.000 90.000 90.000<angles><comp>Nd2 Sb2 Te2<comp><coord>Nd 0.000 0.500 0.724 Nd 0.500 0.000 0.276 Sb 0.000 0.000 0.000 Sb 0.500 0.500 0.000 Te 0.000 0.500 0.376 Te 0.500 0.000 0.624 <coord> |
<forme>-0.86<forme><bg>0.0<bg><abc>5.379 8.839 8.839<abc><angles>75.247 72.285 72.285<angles><comp>Rb4 Co6 S8<comp><coord>Rb 0.741 0.624 0.376 Rb 0.259 0.376 0.624 Rb 0.759 0.124 0.876 Rb 0.241 0.876 0.124 Co 0.250 0.250 0.250 Co 0.750 0.750 0.750 Co 0.750 0.503 0.997 Co 0.750 0.997 0.503 Co 0.250 0.497 0.003 Co 0.250 0.003 0.497 S 0.915 0.710 0.961 S 0.415 0.961 0.710 S 0.585 0.539 0.790 S 0.085 0.790 0.539 S 0.085 0.290 0.039 S 0.585 0.039 0.290 S 0.415 0.461 0.210 S 0.915 0.210 0.461 <coord> |
<forme>-2.39<forme><bg>0.0<bg><abc>3.306 3.306 5.209<abc><angles>90.000 90.000 120.000<angles><comp>Mg1 Zn1 O2<comp><coord>Mg 0.667 0.333 0.503 Zn 0.333 0.667 0.997 O 0.667 0.333 0.117 O 0.333 0.667 0.611 <coord> |
<forme>-3.81<forme><bg>0.0<bg><abc>4.158 4.158 8.068<abc><angles>75.067 75.067 60.000<angles><comp>Ce2 Se1 F4<comp><coord>Ce 0.756 0.756 0.731 Ce 0.244 0.244 0.269 Se 0.000 0.000 0.000 F 0.860 0.860 0.419 F 0.140 0.140 0.581 F 0.569 0.569 0.292 F 0.431 0.431 0.708 <coord> |
<forme>-0.25<forme><bg>0.0<bg><abc>4.467 4.467 4.467<abc><angles>60.000 60.000 60.000<angles><comp>Li2 Al1 Ag1<comp><coord>Li 0.750 0.750 0.750 Li 0.500 0.500 0.500 Al 0.000 0.000 0.000 Ag 0.250 0.250 0.250 <coord> |
<forme>-2.16<forme><bg>2.48<bg><abc>7.423 7.423 7.423<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Er1 Cu1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Er 0.000 0.000 0.000 Cu 0.500 0.500 0.500 Cl 0.251 0.749 0.251 Cl 0.251 0.251 0.749 Cl 0.749 0.251 0.749 Cl 0.251 0.749 0.749 Cl 0.749 0.251 0.251 Cl 0.749 0.749 0.251 <coord> |
<forme>-1.18<forme><bg>1.5<bg><abc>3.764 5.472 7.848<abc><angles>110.403 90.000 90.000<angles><comp>Y2 W2 N6<comp><coord>Y 0.750 0.589 0.659 Y 0.250 0.931 0.341 W 0.250 0.123 0.823 W 0.750 0.300 0.177 N 0.750 0.229 0.394 N 0.750 0.066 0.890 N 0.250 0.176 0.110 N 0.250 0.417 0.765 N 0.250 0.835 0.606 N 0.750 0.652 0.235 <coord> |
<forme>-1.98<forme><bg>1.55<bg><abc>4.989 5.272 5.316<abc><angles>116.997 90.000 118.241<angles><comp>Sb2 O4 F2<comp><coord>Sb 0.500 0.500 0.500 Sb 1.000 0.500 1.000 O 0.742 0.627 0.245 O 0.115 0.373 0.255 O 0.885 0.627 0.745 O 0.258 0.373 0.755 F 0.616 0.000 0.750 F 0.384 0.000 0.250 <coord> |
<forme>-1.83<forme><bg>1.85<bg><abc>5.330 5.330 5.330<abc><angles>90.000 90.000 90.000<angles><comp>Cs1 Cd1 Cl3<comp><coord>Cs 0.000 0.000 0.000 Cd 0.500 0.500 0.500 Cl 0.000 0.500 0.500 Cl 0.500 0.500 0.000 Cl 0.500 0.000 0.500 <coord> |
<forme>-2.24<forme><bg>0.0<bg><abc>3.817 3.817 15.236<abc><angles>97.122 97.122 90.580<angles><comp>Sr2 Eu2 Tl1 Ni2 O9<comp><coord>Sr 0.592 0.578 0.169 Sr 0.422 0.408 0.831 Eu 0.705 0.704 0.408 Eu 0.296 0.295 0.592 Tl 0.044 0.956 1.000 Ni 0.150 0.146 0.296 Ni 0.854 0.850 0.704 O 0.219 0.218 0.437 O 0.782 0.781 0.563 O 0.479 0.521 1.000 O 0.651 0.148 0.299 O 0.151 0.647 0.299 O 0.353 0.849 0.701 O 0.852 0.349 0.701 O 0.072 0.070 0.141 O 0.930 0.928 0.859 <coord> |
<forme>-0.59<forme><bg>0.0<bg><abc>4.845 5.958 5.958<abc><angles>60.000 90.000 90.000<angles><comp>Sc2 Au6<comp><coord>Sc 0.250 0.333 0.333 Sc 0.750 0.667 0.667 Au 0.750 0.665 0.167 Au 0.750 0.167 0.167 Au 0.750 0.167 0.665 Au 0.250 0.335 0.833 Au 0.250 0.833 0.833 Au 0.250 0.833 0.335 <coord> |
<forme>-2.37<forme><bg>0.96<bg><abc>3.899 10.899 11.143<abc><angles>108.943 90.000 90.000<angles><comp>Gd2 Lu6 S12<comp><coord>Gd 0.750 0.547 0.194 Gd 0.250 0.453 0.806 Lu 0.250 0.062 0.667 Lu 0.750 0.938 0.333 Lu 0.250 0.819 0.998 Lu 0.750 0.181 0.002 Lu 0.750 0.661 0.586 Lu 0.250 0.339 0.414 S 0.250 0.384 0.036 S 0.750 0.616 0.964 S 0.250 0.023 0.888 S 0.750 0.977 0.112 S 0.250 0.695 0.749 S 0.750 0.305 0.251 S 0.250 0.761 0.226 S 0.750 0.239 0.774 S 0.750 0.418 0.595 S 0.250 0.582 0.405 S 0.750 0.895 0.560 S 0.250 0.105 0.440 <coord> |
<forme>-2.22<forme><bg>0.0<bg><abc>3.883 3.883 3.883<abc><angles>60.000 60.000 60.000<angles><comp>Ho1 S1<comp><coord>Ho 0.000 0.000 0.000 S 0.500 0.500 0.500 <coord> |
<forme>-0.12<forme><bg>0.0<bg><abc>3.946 3.946 5.911<abc><angles>90.000 90.000 90.000<angles><comp>Mn2 Ga2 Ge2<comp><coord>Mn 0.000 0.000 0.000 Mn 0.500 0.500 0.000 Ga 0.000 0.500 0.704 Ga 0.500 0.000 0.296 Ge 0.000 0.500 0.281 Ge 0.500 0.000 0.719 <coord> |
<forme>-2.74<forme><bg>0.6<bg><abc>5.293 5.383 7.554<abc><angles>106.419 109.200 96.937<angles><comp>Li3 V1 Cr1 P2 O8 F2<comp><coord>Li 0.742 0.411 0.865 Li 0.493 0.036 0.510 Li 0.274 0.601 0.149 V 1.000 1.000 0.999 Cr 0.994 0.996 0.501 P 0.666 0.356 0.239 P 0.333 0.640 0.758 O 0.870 0.328 0.127 O 0.722 0.209 0.390 O 0.675 0.654 0.336 O 0.364 0.246 0.079 O 0.636 0.751 0.918 O 0.323 0.341 0.659 O 0.273 0.789 0.609 O 0.132 0.668 0.874 F 0.833 0.093 0.752 F 0.164 0.912 0.249 <coord> |
<forme>-1.34<forme><bg>0.0<bg><abc>3.312 5.748 12.869<abc><angles>94.306 97.394 90.000<angles><comp>Ta3 Mo1 S8<comp><coord>Ta 0.625 0.541 0.250 Ta 0.375 0.789 0.750 Ta 0.125 0.042 0.250 Mo 0.875 0.294 0.750 S 0.315 0.109 0.630 S 0.063 0.355 0.126 S 0.814 0.601 0.628 S 0.563 0.855 0.126 S 0.187 0.396 0.374 S 0.936 0.642 0.872 S 0.687 0.896 0.374 S 0.435 0.149 0.870 <coord> |
<forme>-0.91<forme><bg>1.77<bg><abc>5.473 5.473 7.268<abc><angles>90.000 90.000 101.136<angles><comp>Rb2 Au2 Se2<comp><coord>Rb 0.364 0.636 0.750 Rb 0.636 0.364 0.250 Au 0.000 0.000 0.000 Au 0.000 0.000 0.500 Se 0.804 0.196 0.750 Se 0.196 0.804 0.250 <coord> |
<forme>-3.44<forme><bg>2.37<bg><abc>5.331 5.541 7.637<abc><angles>90.000 90.000 90.000<angles><comp>Na2 Dy2 Ti4 O12<comp><coord>Na 0.495 0.717 0.500 Na 0.995 0.283 0.000 Dy 0.018 0.180 0.500 Dy 0.518 0.820 0.000 Ti 0.512 0.265 0.752 Ti 0.012 0.735 0.252 Ti 0.512 0.265 0.248 Ti 0.012 0.735 0.748 O 0.923 0.774 0.500 O 0.602 0.275 0.500 O 0.102 0.725 0.000 O 0.423 0.226 0.000 O 0.192 0.446 0.698 O 0.278 0.965 0.291 O 0.778 0.035 0.209 O 0.692 0.554 0.802 O 0.778 0.035 0.791 O 0.692 0.554 0.198 O 0.192 0.446 0.302 O 0.278 0.965 0.709 <coord> |
<forme>-2.72<forme><bg>0.69<bg><abc>5.444 5.602 7.794<abc><angles>90.001 89.843 90.000<angles><comp>Ca4 V2 Mo2 O12<comp><coord>Ca 0.510 0.550 0.249 Ca 0.990 0.050 0.251 Ca 0.490 0.450 0.751 Ca 0.010 0.950 0.749 V 0.500 0.000 0.500 V 0.000 0.500 1.000 Mo 1.000 0.500 0.500 Mo 0.500 1.000 1.000 O 0.812 0.783 0.048 O 0.688 0.283 0.452 O 0.188 0.217 0.952 O 0.312 0.717 0.548 O 0.214 0.191 0.544 O 0.286 0.691 0.956 O 0.786 0.809 0.456 O 0.714 0.309 0.044 O 0.412 0.972 0.263 O 0.088 0.472 0.237 O 0.588 0.028 0.737 O 0.912 0.528 0.763 <coord> |
<forme>-0.74<forme><bg>0.0<bg><abc>3.073 3.073 16.303<abc><angles>84.592 84.592 60.000<angles><comp>Ti5 Al2 C3<comp><coord>Ti 0.500 0.500 0.500 Ti 0.215 0.215 0.354 Ti 0.310 0.310 0.070 Ti 0.690 0.690 0.930 Ti 0.785 0.785 0.646 Al 0.404 0.404 0.788 Al 0.596 0.596 0.212 C 0.140 0.140 0.580 C 0.860 0.860 0.420 C 0.000 0.000 0.000 <coord> |
<forme>-0.7<forme><bg>0.79<bg><abc>4.470 7.212 13.500<abc><angles>91.982 90.000 90.000<angles><comp>Li2 Au2 I8<comp><coord>Li 0.500 0.500 0.000 Li 0.000 1.000 0.500 Au 0.000 0.000 0.000 Au 0.500 0.500 0.500 I 0.507 0.814 0.612 I 0.007 0.686 0.888 I 0.493 0.186 0.388 I 0.993 0.314 0.112 I 0.172 0.331 0.638 I 0.672 0.169 0.862 I 0.828 0.669 0.362 I 0.328 0.831 0.138 <coord> |
<forme>-0.8<forme><bg>0.0<bg><abc>4.042 4.042 5.798<abc><angles>110.399 110.399 90.000<angles><comp>U1 Si2 Ir2<comp><coord>U 0.000 0.000 0.000 Si 0.617 0.617 0.234 Si 0.383 0.383 0.766 Ir 0.250 0.750 0.500 Ir 0.750 0.250 0.500 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>3.818 4.964 11.503<abc><angles>90.000 90.000 90.000<angles><comp>Ga2 Ni8 Ge6<comp><coord>Ga 0.500 0.642 0.814 Ga 0.500 0.142 0.186 Ni 0.500 0.141 0.796 Ni 0.500 0.641 0.204 Ni 0.000 0.862 0.701 Ni 0.000 0.362 0.299 Ni 0.500 0.379 0.996 Ni 0.500 0.879 0.004 Ni 0.000 0.620 0.505 Ni 0.000 0.120 0.495 Ge 0.000 0.357 0.687 Ge 0.000 0.857 0.313 Ge 0.500 0.887 0.573 Ge 0.500 0.387 0.427 Ge 0.000 0.111 0.928 Ge 0.000 0.611 0.072 <coord> |
<forme>-1.81<forme><bg>2.32<bg><abc>7.477 7.477 7.477<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Ge1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Ge 0.000 0.000 0.000 Cl 0.779 0.221 0.221 Cl 0.221 0.221 0.779 Cl 0.779 0.779 0.221 Cl 0.221 0.779 0.779 Cl 0.779 0.221 0.779 Cl 0.221 0.779 0.221 <coord> |
<forme>-2.12<forme><bg>1.35<bg><abc>2.887 6.744 9.875<abc><angles>76.906 90.002 77.642<angles><comp>Li6 Mn4 O10<comp><coord>Li 0.900 0.200 0.700 Li 0.400 0.200 0.200 Li 0.706 0.588 0.102 Li 0.094 0.812 0.298 Li 0.306 0.387 0.909 Li 0.494 0.013 0.491 Mn 0.809 0.381 0.392 Mn 0.202 0.597 0.597 Mn 0.990 0.019 0.008 Mn 0.599 0.803 0.803 O 0.545 0.910 0.135 O 0.255 0.490 0.265 O 0.938 0.123 0.354 O 0.861 0.277 0.046 O 0.137 0.726 0.943 O 0.663 0.674 0.457 O 0.749 0.503 0.732 O 0.052 0.897 0.668 O 0.349 0.303 0.530 O 0.451 0.097 0.870 <coord> |
<forme>-0.83<forme><bg>0.0<bg><abc>4.378 4.400 10.201<abc><angles>89.607 90.000 90.000<angles><comp>Eu2 Ge4 Pt4<comp><coord>Eu 0.750 0.748 0.253 Eu 0.250 0.252 0.747 Ge 0.750 0.761 0.871 Ge 0.250 0.239 0.129 Ge 0.750 0.254 0.500 Ge 0.250 0.746 0.500 Pt 0.750 0.752 0.627 Pt 0.250 0.248 0.373 Pt 0.750 0.263 0.999 Pt 0.250 0.737 0.001 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>3.934 7.987 7.987<abc><angles>120.000 90.000 90.000<angles><comp>Sm3 Cd3 Au3<comp><coord>Sm 0.000 0.407 0.407 Sm 1.000 0.000 0.593 Sm 0.000 0.593 0.000 Cd 0.500 0.739 0.739 Cd 0.500 0.000 0.261 Cd 0.500 0.261 0.000 Au 0.500 0.667 0.333 Au 0.500 0.333 0.667 Au 0.000 0.000 0.000 <coord> |
<forme>-0.31<forme><bg>2.89<bg><abc>6.015 6.074 8.571<abc><angles>90.000 90.698 90.000<angles><comp>K6 Al2 H12<comp><coord>K 0.500 0.500 0.000 K 0.000 0.000 0.500 K 0.493 0.030 0.251 K 0.007 0.530 0.249 K 0.507 0.970 0.749 K 0.993 0.470 0.751 Al 0.500 0.500 0.500 Al 0.000 0.000 0.000 H 0.665 0.260 0.538 H 0.835 0.760 0.962 H 0.335 0.740 0.462 H 0.165 0.240 0.038 H 0.762 0.168 0.970 H 0.738 0.668 0.530 H 0.238 0.832 0.030 H 0.262 0.332 0.470 H 0.061 0.022 0.798 H 0.439 0.522 0.702 H 0.939 0.978 0.202 H 0.561 0.478 0.298 <coord> |
<forme>-0.11<forme><bg>0.0<bg><abc>4.953 4.961 7.833<abc><angles>89.643 89.638 60.549<angles><comp>Ca2 Ni10 H1<comp><coord>Ca 0.007 0.007 0.012 Ca 0.998 0.998 0.498 Ni 0.662 0.662 0.999 Ni 0.340 0.340 0.999 Ni 0.499 0.499 0.744 Ni 0.487 0.007 0.743 Ni 0.007 0.487 0.743 Ni 0.665 0.665 0.495 Ni 0.331 0.331 0.496 Ni 0.501 0.501 0.249 Ni 0.502 0.001 0.247 Ni 0.001 0.502 0.247 H 0.797 0.798 0.851 <coord> |
<forme>-0.27<forme><bg>0.0<bg><abc>4.065 4.911 4.911<abc><angles>119.166 90.000 90.000<angles><comp>Ce1 Al1 Co4<comp><coord>Ce 0.000 0.000 0.000 Al 0.500 0.500 0.500 Co 0.000 0.691 0.309 Co 0.000 0.309 0.691 Co 0.500 0.500 0.000 Co 0.500 0.000 0.500 <coord> |
<forme>-0.24<forme><bg>0.0<bg><abc>5.203 8.016 8.016<abc><angles>83.954 71.062 71.062<angles><comp>Nb10 Ga2 Sn4<comp><coord>Nb 0.250 0.500 0.500 Nb 0.750 0.500 0.500 Nb 0.218 0.712 0.853 Nb 0.071 0.147 0.712 Nb 0.929 0.853 0.288 Nb 0.782 0.288 0.147 Nb 0.429 0.288 0.853 Nb 0.571 0.712 0.147 Nb 0.718 0.853 0.712 Nb 0.282 0.147 0.288 Ga 0.750 1.000 0.000 Ga 0.250 1.000 0.000 Sn 0.669 0.163 0.500 Sn 0.169 0.500 0.163 Sn 0.831 0.500 0.838 Sn 0.331 0.837 0.500 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>7.800 7.800 9.300<abc><angles>114.792 114.792 90.000<angles><comp>Eu10 Si6<comp><coord>Eu 0.533 0.677 0.710 Eu 0.177 0.033 0.710 Eu 0.033 0.533 0.710 Eu 0.677 0.177 0.710 Eu 0.467 0.323 0.290 Eu 0.823 0.967 0.290 Eu 0.967 0.467 0.290 Eu 0.323 0.823 0.290 Eu 0.500 0.500 0.000 Eu 0.000 0.000 0.000 Si 0.890 0.610 0.000 Si 0.110 0.390 0.000 Si 0.390 0.890 1.000 Si 0.610 0.110 0.000 Si 0.250 0.250 0.500 Si 0.750 0.750 0.500 <coord> |
<forme>-1.99<forme><bg>0.07<bg><abc>3.203 5.435 5.435<abc><angles>107.317 92.180 92.180<angles><comp>Mn3 Na1 O4<comp><coord>Mn 1.000 0.500 0.500 Mn 0.500 0.000 0.500 Mn 0.500 0.500 0.000 Na 1.000 0.000 0.000 O 1.000 0.729 0.271 O 1.000 0.271 0.729 O 0.551 0.276 0.276 O 0.448 0.724 0.724 <coord> |
<forme>-1.98<forme><bg>4.05<bg><abc>6.623 7.820 7.820<abc><angles>120.000 90.000 90.000<angles><comp>Cs2 Mg2 Br6<comp><coord>Cs 0.750 0.333 0.667 Cs 0.250 0.667 0.333 Mg 0.500 0.000 0.000 Mg 0.000 0.000 0.000 Br 0.750 0.315 0.157 Br 0.250 0.157 0.315 Br 0.750 0.843 0.685 Br 0.250 0.685 0.843 Br 0.250 0.157 0.843 Br 0.750 0.843 0.157 <coord> |
<forme>-1.72<forme><bg>0.0<bg><abc>3.233 3.233 10.703<abc><angles>81.314 81.314 60.000<angles><comp>Hf4 C1 N3<comp><coord>Hf 0.874 0.874 0.377 Hf 0.126 0.126 0.623 Hf 0.374 0.374 0.877 Hf 0.626 0.626 0.123 C 0.000 0.000 0.000 N 0.249 0.249 0.254 N 0.500 0.500 0.500 N 0.751 0.751 0.746 <coord> |
<forme>-1.83<forme><bg>3.14<bg><abc>4.302 7.509 10.961<abc><angles>90.000 90.000 106.645<angles><comp>Ca2 In2 Br6<comp><coord>Ca 0.500 0.000 0.500 Ca 0.500 0.000 0.000 In 0.236 0.473 0.750 In 0.764 0.527 0.250 Br 0.431 0.861 0.250 Br 0.569 0.139 0.750 Br 0.867 0.734 0.547 Br 0.133 0.266 0.453 Br 0.133 0.266 0.047 Br 0.867 0.734 0.953 <coord> |
<forme>-2.76<forme><bg>0.52<bg><abc>4.697 4.697 9.286<abc><angles>89.929 89.929 87.468<angles><comp>V6 O7 F5<comp><coord>V 0.996 0.987 0.326 V 0.975 0.025 0.000 V 0.013 0.004 0.674 V 0.532 0.523 0.174 V 0.506 0.494 0.500 V 0.477 0.468 0.826 O 0.186 0.186 0.834 O 0.682 0.318 0.000 O 0.708 0.306 0.344 O 0.694 0.292 0.656 O 0.316 0.696 0.342 O 0.304 0.684 0.658 O 0.814 0.814 0.166 F 0.203 0.212 0.166 F 0.202 0.192 0.497 F 0.293 0.707 0.000 F 0.808 0.798 0.503 F 0.788 0.797 0.834 <coord> |
<forme>-0.95<forme><bg>0.48<bg><abc>6.240 8.132 9.726<abc><angles>82.931 71.290 67.440<angles><comp>Ba6 P8<comp><coord>Ba 0.592 0.991 0.337 Ba 0.920 0.009 0.663 Ba 0.332 0.509 0.837 Ba 0.679 0.491 0.163 Ba 0.004 0.500 0.500 Ba 0.254 0.000 0.000 P 0.420 0.655 0.494 P 0.570 0.345 0.506 P 0.826 0.845 0.994 P 0.664 0.156 0.006 P 0.349 0.194 0.652 P 0.194 0.806 0.348 P 0.750 0.694 0.848 P 0.292 0.306 0.152 <coord> |
<forme>-1.52<forme><bg>2.31<bg><abc>4.553 9.818 16.570<abc><angles>90.000 90.000 90.000<angles><comp>Rb4 Sn4 Br12<comp><coord>Rb 0.750 0.581 0.172 Rb 0.250 0.419 0.828 Rb 0.750 0.081 0.328 Rb 0.250 0.919 0.672 Sn 0.250 0.664 0.438 Sn 0.750 0.336 0.562 Sn 0.250 0.164 0.062 Sn 0.750 0.836 0.938 Br 0.750 0.838 0.502 Br 0.250 0.162 0.498 Br 0.750 0.338 0.998 Br 0.250 0.662 0.002 Br 0.250 0.523 0.617 Br 0.750 0.477 0.383 Br 0.250 0.023 0.883 Br 0.750 0.977 0.117 Br 0.250 0.797 0.288 Br 0.750 0.203 0.712 Br 0.250 0.297 0.212 Br 0.750 0.703 0.788 <coord> |
<forme>-2.04<forme><bg>0.0<bg><abc>7.924 8.872 7.924<abc><angles>116.525 90.000 116.525<angles><comp>Ba2 Nd4 Mn2 S10<comp><coord>Ba 0.750 0.500 0.750 Ba 0.250 0.500 0.250 Nd 0.662 1.000 0.162 Nd 0.838 1.000 0.662 Nd 0.162 0.000 0.338 Nd 0.338 0.000 0.838 Mn 0.250 0.500 0.750 Mn 0.750 0.500 0.250 S 0.517 0.734 0.717 S 0.783 0.266 0.983 S 0.483 0.266 0.283 S 0.983 0.266 0.483 S 0.283 0.266 0.783 S 0.017 0.734 0.517 S 0.717 0.734 0.217 S 0.217 0.734 0.017 S 0.500 0.000 0.500 S 0.000 0.000 0.000 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>6.256 6.256 7.851<abc><angles>113.481 113.481 90.000<angles><comp>Ba3 Sr1<comp><coord>Ba 0.750 0.250 0.500 Ba 0.250 0.750 0.500 Ba 0.500 0.500 0.000 Sr 0.000 0.000 0.000 <coord> |
<forme>-3.18<forme><bg>4.05<bg><abc>5.620 5.646 5.620<abc><angles>119.846 90.000 119.846<angles><comp>Sr2 Ta1 Ga1 O6<comp><coord>Sr 0.250 0.500 0.750 Sr 0.750 0.500 0.250 Ta 0.500 0.000 0.500 Ga 0.000 0.000 0.000 O 0.219 1.000 0.717 O 0.283 0.000 0.219 O 0.717 0.000 0.781 O 0.781 0.000 0.283 O 0.749 0.498 0.749 O 0.251 0.502 0.251 <coord> |
<forme>-1.89<forme><bg>0.0<bg><abc>3.125 3.125 4.415<abc><angles>90.000 90.000 90.000<angles><comp>Hf1 Ti1 N2<comp><coord>Hf 0.000 0.000 0.000 Ti 0.500 0.500 0.500 N 0.000 0.000 0.500 N 0.500 0.500 0.000 <coord> |
<forme>-2.52<forme><bg>0.0<bg><abc>2.946 6.470 10.474<abc><angles>107.991 90.000 90.000<angles><comp>V6 O11 F1<comp><coord>V 1.000 0.991 0.983 V 0.500 0.829 0.658 V 0.500 0.501 0.003 V 0.000 0.339 0.678 V 0.000 0.665 0.330 V 0.500 0.179 0.357 O 0.500 0.931 0.862 O 0.000 0.292 0.002 O 0.000 0.710 0.002 O 1.000 0.029 0.664 O 0.000 0.360 0.332 O 0.500 0.403 0.806 O 0.500 0.731 0.462 O 0.500 0.269 0.538 O 0.500 0.601 0.203 O 1.000 0.635 0.664 O 1.000 0.971 0.332 F 0.500 0.065 0.129 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>3.956 4.923 8.495<abc><angles>90.000 90.000 90.000<angles><comp>La1 Y1 Ni10<comp><coord>La 0.000 0.500 0.000 Y 0.000 0.000 0.500 Ni 0.000 0.500 0.337 Ni 0.000 0.000 0.830 Ni 0.000 0.000 0.170 Ni 0.000 0.500 0.663 Ni 0.500 0.500 0.500 Ni 0.500 0.000 0.000 Ni 0.500 0.753 0.256 Ni 0.500 0.247 0.744 Ni 0.500 0.247 0.256 Ni 0.500 0.753 0.744 <coord> |
<forme>-0.01<forme><bg>0.0<bg><abc>3.790 6.550 9.312<abc><angles>70.352 78.256 73.182<angles><comp>Yb4 Mg2<comp><coord>Yb 0.162 0.773 0.904 Yb 0.838 0.227 0.096 Yb 0.510 0.685 0.295 Yb 0.490 0.315 0.705 Mg 0.193 0.194 0.420 Mg 0.807 0.806 0.580 <coord> |
<forme>-2.24<forme><bg>2.04<bg><abc>7.240 7.324 7.324<abc><angles>63.347 85.166 94.834<angles><comp>Rb6 Tm2 O6<comp><coord>Rb 0.644 0.364 0.636 Rb 0.500 0.206 0.206 Rb 0.500 0.794 0.794 Rb 0.000 0.739 0.739 Rb 1.000 0.261 0.261 Rb 0.356 0.636 0.364 Tm 0.148 0.175 0.825 Tm 0.852 0.825 0.175 O 0.846 0.103 0.897 O 0.267 0.441 0.834 O 0.267 0.166 0.559 O 0.733 0.559 0.166 O 0.733 0.834 0.441 O 0.154 0.897 0.103 <coord> |
<forme>-0.04<forme><bg>0.0<bg><abc>3.054 5.041 5.414<abc><angles>90.000 90.000 90.000<angles><comp>Li2 Mg2<comp><coord>Li 0.500 0.750 0.334 Li 0.500 0.250 0.666 Mg 0.000 0.750 0.830 Mg 0.000 0.250 0.170 <coord> |
<forme>-3.11<forme><bg>0.0<bg><abc>5.661 5.706 9.827<abc><angles>73.477 73.374 60.345<angles><comp>Sr4 Ta2 Mn2 O12<comp><coord>Sr 0.377 0.370 0.876 Sr 0.873 0.879 0.375 Sr 0.123 0.130 0.624 Sr 0.627 0.621 0.125 Ta 0.009 0.982 0.000 Ta 0.491 0.518 0.500 Mn 0.250 0.250 0.250 Mn 0.750 0.750 0.750 O 0.107 0.657 0.621 O 0.648 0.091 0.127 O 0.600 0.170 0.629 O 0.147 0.590 0.118 O 0.616 0.657 0.621 O 0.135 0.092 0.127 O 0.393 0.844 0.879 O 0.852 0.409 0.373 O 0.900 0.330 0.871 O 0.354 0.910 0.382 O 0.885 0.843 0.879 O 0.365 0.408 0.373 <coord> |
<forme>-0.86<forme><bg>1.17<bg><abc>6.142 7.036 6.423<abc><angles>91.996 94.576 64.119<angles><comp>Ca7 Mg2 N6<comp><coord>Ca 0.500 0.000 1.000 Ca 0.378 0.245 0.500 Ca 0.622 0.755 0.500 Ca 0.978 0.345 0.825 Ca 0.323 0.655 0.825 Ca 0.022 0.655 0.175 Ca 0.677 0.345 0.175 Mg 0.879 0.000 0.673 Mg 0.121 0.000 0.327 N 0.905 0.710 0.804 N 0.615 0.290 0.804 N 0.095 0.290 0.196 N 0.385 0.710 0.196 N 0.755 0.000 0.341 N 0.245 1.000 0.659 <coord> |
<forme>-0.52<forme><bg>1.3<bg><abc>6.960 7.895 9.905<abc><angles>90.000 91.120 90.000<angles><comp>Sn4 P4 Se12<comp><coord>Sn 0.964 0.373 0.213 Sn 0.536 0.873 0.287 Sn 0.036 0.627 0.787 Sn 0.464 0.127 0.713 P 0.945 0.103 0.568 P 0.555 0.603 0.932 P 0.055 0.897 0.432 P 0.445 0.397 0.068 Se 0.110 0.010 0.232 Se 0.390 0.510 0.268 Se 0.890 0.990 0.768 Se 0.610 0.490 0.732 Se 0.338 0.806 0.938 Se 0.162 0.306 0.562 Se 0.662 0.194 0.062 Se 0.838 0.694 0.438 Se 0.825 0.694 0.034 Se 0.675 0.194 0.466 Se 0.175 0.306 0.966 Se 0.325 0.806 0.534 <coord> |
<forme>-0.19<forme><bg>0.0<bg><abc>5.541 5.541 5.541<abc><angles>60.000 60.000 60.000<angles><comp>Na1 Tl2 Sb1<comp><coord>Na 0.500 0.500 0.500 Tl 0.750 0.750 0.750 Tl 0.250 0.250 0.250 Sb 0.000 0.000 0.000 <coord> |
<forme>-0.26<forme><bg>0.0<bg><abc>4.229 4.229 7.080<abc><angles>107.379 107.379 90.000<angles><comp>Ba1 Al2 Si2<comp><coord>Ba 0.000 0.000 0.000 Al 0.250 0.750 0.500 Al 0.750 0.250 0.500 Si 0.362 0.362 0.724 Si 0.638 0.638 0.276 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.