text stringlengths 140 560 |
|---|
<forme>-0.72<forme><bg>0.0<bg><abc>3.103 3.103 5.140<abc><angles>72.434 72.434 60.000<angles><comp>Ti2 H1 C1<comp><coord>Ti 0.244 0.244 0.269 Ti 0.756 0.756 0.731 H 0.000 0.000 0.000 C 0.500 0.500 0.500 <coord> |
<forme>-2.35<forme><bg>0.0<bg><abc>7.284 7.284 7.284<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Ni4 F12<comp><coord>Cs 0.750 0.750 0.750 Cs 0.000 0.000 0.000 Ni 0.375 0.375 0.875 Ni 0.375 0.875 0.375 Ni 0.375 0.375 0.375 Ni 0.875 0.375 0.375 F 0.056 0.444 0.056 F 0.306 0.306 0.694 F 0.694 0.694 0.306 F 0.444 0.056 0.444 F 0.694 0.306 0.694 F 0.444 0.444 0.056 F 0.056 0.444 0.444 F 0.694 0.306 0.306 F 0.306 0.694 0.694 F 0.444 0.056 0.056 F 0.306 0.694 0.306 F 0.056 0.056 0.444 <coord> |
<forme>-1.62<forme><bg>0.0<bg><abc>3.070 5.135 9.620<abc><angles>90.000 90.000 107.392<angles><comp>Ca2 Ni4 O8<comp><coord>Ca 0.394 0.788 0.250 Ca 0.606 0.212 0.750 Ni 0.862 0.723 0.932 Ni 0.138 0.277 0.068 Ni 0.862 0.723 0.568 Ni 0.138 0.277 0.432 O 0.231 0.462 0.606 O 0.769 0.538 0.394 O 0.769 0.538 0.106 O 0.231 0.462 0.894 O 0.938 0.876 0.750 O 0.062 0.124 0.250 O 0.500 1.000 1.000 O 0.500 1.000 0.500 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>5.328 5.328 5.328<abc><angles>60.000 60.000 60.000<angles><comp>Tb2 In1 Hg1<comp><coord>Tb 0.750 0.750 0.750 Tb 0.250 0.250 0.250 In 0.000 0.000 0.000 Hg 0.500 0.500 0.500 <coord> |
<forme>-0.36<forme><bg>0.0<bg><abc>3.533 3.533 17.827<abc><angles>90.000 90.000 90.000<angles><comp>Al4 Cr1 Ni15<comp><coord>Al 0.000 0.000 0.200 Al 0.000 0.000 0.400 Al 0.000 0.000 0.600 Al 0.000 0.000 0.800 Cr 0.000 0.000 0.000 Ni 0.500 0.500 0.000 Ni 0.500 0.500 0.198 Ni 0.500 0.500 0.400 Ni 0.500 0.500 0.600 Ni 0.500 0.500 0.802 Ni 0.500 0.000 0.097 Ni 0.500 0.000 0.300 Ni 0.500 0.000 0.500 Ni 0.500 0.000 0.700 Ni 0.500 0.000 0.903 Ni 0.000 0.500 0.097 Ni 0.000 0.500 0.300 Ni 0.000 0.500 0.500 Ni 0.000 0.500 0.700 Ni 0.000 0.500 0.903 <coord> |
<forme>-1.99<forme><bg>2.97<bg><abc>4.837 5.299 6.115<abc><angles>90.000 90.000 111.462<angles><comp>Cr4 H4 O8<comp><coord>Cr 0.002 0.007 1.000 Cr 0.002 0.507 0.750 Cr 0.998 0.993 0.500 Cr 0.998 0.493 0.250 H 0.536 0.015 0.749 H 0.464 0.485 0.501 H 0.464 0.985 0.249 H 0.536 0.515 0.001 O 0.219 0.409 0.999 O 0.774 0.094 0.748 O 0.219 0.909 0.751 O 0.781 0.591 0.499 O 0.226 0.406 0.502 O 0.781 0.091 0.251 O 0.226 0.906 0.248 O 0.774 0.594 0.002 <coord> |
<forme>-0.66<forme><bg>2.96<bg><abc>7.794 7.794 9.220<abc><angles>64.996 64.996 60.000<angles><comp>Si2 I6<comp><coord>Si 0.951 0.951 0.147 Si 0.049 0.049 0.853 I 0.912 0.222 0.243 I 0.222 0.623 0.243 I 0.623 0.912 0.243 I 0.088 0.778 0.757 I 0.778 0.377 0.757 I 0.377 0.088 0.757 <coord> |
<forme>-0.23<forme><bg>0.32<bg><abc>4.550 4.550 6.399<abc><angles>90.000 90.000 90.000<angles><comp>Al1 In1 Sb2<comp><coord>Al 0.000 0.000 0.000 In 0.500 0.500 0.500 Sb 0.000 0.500 0.232 Sb 0.500 0.000 0.768 <coord> |
<forme>-2.19<forme><bg>0.67<bg><abc>5.992 5.992 6.087<abc><angles>118.242 118.234 91.158<angles><comp>Mn4 Cr2 O8<comp><coord>Mn 0.624 0.875 0.249 Mn 0.245 0.754 0.500 Mn 0.125 0.374 0.749 Mn 0.004 0.995 0.000 Cr 0.626 0.375 0.750 Cr 0.624 0.376 0.250 O 0.406 0.629 0.248 O 0.372 0.592 0.753 O 0.842 0.122 0.252 O 0.879 0.156 0.748 O 0.830 0.612 0.206 O 0.861 0.580 0.706 O 0.420 0.139 0.295 O 0.389 0.170 0.794 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>4.017 4.017 6.201<abc><angles>108.902 108.902 90.000<angles><comp>Nd1 Mn2 Ge2<comp><coord>Nd 0.000 0.000 0.000 Mn 0.750 0.250 0.500 Mn 0.250 0.750 0.500 Ge 0.623 0.623 0.247 Ge 0.377 0.377 0.753 <coord> |
<forme>-2.41<forme><bg>1.05<bg><abc>4.988 5.075 5.394<abc><angles>91.090 116.819 119.292<angles><comp>Li1 V2 Cr1 O6<comp><coord>Li 0.428 0.711 0.146 V 0.984 0.992 0.990 V 0.003 0.507 0.508 Cr 0.396 0.195 0.592 O 0.506 0.613 0.782 O 0.884 0.268 0.789 O 0.169 0.907 0.788 O 0.926 0.134 0.293 O 0.171 0.788 0.303 O 0.533 0.386 0.307 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>3.847 4.023 4.023<abc><angles>60.000 90.000 90.000<angles><comp>U1 Si2<comp><coord>U 0.000 0.000 0.000 Si 0.500 0.667 0.667 Si 0.500 0.333 0.333 <coord> |
<forme>-0.24<forme><bg>0.0<bg><abc>3.791 3.806 20.490<abc><angles>84.671 90.000 90.000<angles><comp>Nb5 Ga13<comp><coord>Nb 0.500 0.108 0.784 Nb 0.500 0.892 0.216 Nb 1.000 0.284 0.432 Nb 0.000 0.716 0.568 Nb 0.000 0.500 0.000 Ga 0.500 0.445 0.110 Ga 0.500 0.555 0.890 Ga 0.500 0.336 0.329 Ga 0.500 0.664 0.671 Ga 0.500 0.228 0.544 Ga 0.500 0.000 0.000 Ga 0.000 0.945 0.109 Ga 1.000 0.055 0.891 Ga 0.000 0.835 0.330 Ga 1.000 0.165 0.670 Ga 0.000 0.612 0.776 Ga 0.000 0.388 0.224 Ga 0.500 0.772 0.456 <coord> |
<forme>-3.4<forme><bg>6.12<bg><abc>6.384 6.384 6.384<abc><angles>60.000 60.000 60.000<angles><comp>Rb3 Al1 F6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Rb 0.500 0.500 0.500 Al 0.000 0.000 0.000 F 0.204 0.796 0.204 F 0.204 0.204 0.796 F 0.796 0.204 0.796 F 0.204 0.796 0.796 F 0.796 0.204 0.204 F 0.796 0.796 0.204 <coord> |
<forme>-3.58<forme><bg>2.98<bg><abc>3.799 3.799 13.378<abc><angles>90.000 90.000 120.000<angles><comp>Dy4 S2 O4<comp><coord>Dy 0.667 0.333 0.108 Dy 0.667 0.333 0.392 Dy 0.333 0.667 0.608 Dy 0.333 0.667 0.892 S 0.000 0.000 0.750 S 0.000 0.000 0.250 O 0.667 0.333 0.935 O 0.667 0.333 0.565 O 0.333 0.667 0.065 O 0.333 0.667 0.435 <coord> |
<forme>-1.66<forme><bg>0.0<bg><abc>3.779 3.779 6.440<abc><angles>72.941 72.941 60.000<angles><comp>Zr1 U1 S2<comp><coord>Zr 0.500 0.500 0.500 U 0.000 0.000 0.000 S 0.248 0.248 0.257 S 0.752 0.752 0.743 <coord> |
<forme>-2.08<forme><bg>2.67<bg><abc>5.667 7.115 7.223<abc><angles>68.827 85.452 68.660<angles><comp>Na1 V2 Bi3 O10<comp><coord>Na 0.911 0.956 0.524 V 0.258 0.316 0.618 V 0.674 0.605 0.928 Bi 0.024 0.970 0.024 Bi 0.565 0.662 0.405 Bi 0.389 0.235 0.157 O 0.412 0.668 0.075 O 0.225 0.581 0.582 O 0.915 0.645 0.014 O 0.723 0.936 0.246 O 0.985 0.301 0.549 O 0.747 0.325 0.985 O 0.332 0.153 0.875 O 0.609 0.748 0.672 O 0.498 0.238 0.462 O 0.218 0.971 0.277 <coord> |
<forme>-1.24<forme><bg>0.57<bg><abc>5.158 7.779 7.779<abc><angles>88.233 81.149 81.149<angles><comp>Ag4 As4 O12<comp><coord>Ag 0.250 0.226 0.774 Ag 0.250 0.596 0.404 Ag 0.750 0.404 0.596 Ag 0.750 0.774 0.226 As 0.229 0.122 0.299 As 0.729 0.299 0.122 As 0.271 0.701 0.878 As 0.771 0.878 0.701 O 0.441 0.196 0.111 O 0.941 0.111 0.196 O 0.173 0.276 0.454 O 0.158 0.651 0.085 O 0.673 0.454 0.276 O 0.658 0.085 0.651 O 0.342 0.915 0.349 O 0.327 0.546 0.724 O 0.842 0.349 0.915 O 0.827 0.724 0.546 O 0.059 0.889 0.804 O 0.559 0.804 0.889 <coord> |
<forme>-0.66<forme><bg>0.0<bg><abc>4.235 4.261 8.589<abc><angles>104.360 90.000 90.000<angles><comp>Nd2 Co2 Ge4<comp><coord>Nd 0.250 0.107 0.215 Nd 0.750 0.893 0.785 Co 0.250 0.317 0.634 Co 0.750 0.683 0.366 Ge 0.250 0.454 0.908 Ge 0.750 0.546 0.092 Ge 0.250 0.750 0.499 Ge 0.750 0.250 0.501 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.297 4.297 5.980<abc><angles>111.056 111.056 90.000<angles><comp>Th1 Zn4<comp><coord>Th 0.000 0.000 0.000 Zn 0.618 0.618 0.236 Zn 0.750 0.250 0.500 Zn 0.250 0.750 0.500 Zn 0.382 0.382 0.764 <coord> |
<forme>-1.26<forme><bg>0.0<bg><abc>4.259 6.053 7.439<abc><angles>114.008 106.635 90.000<angles><comp>La2 U1 As3<comp><coord>La 0.332 0.332 0.663 La 0.668 0.668 0.337 U 0.000 0.000 0.000 As 0.000 0.500 0.000 As 0.345 0.845 0.691 As 0.655 0.155 0.309 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.150 5.526 10.877<abc><angles>104.714 100.936 90.000<angles><comp>Mn5 Ga5 Ni10<comp><coord>Mn 0.759 0.800 0.600 Mn 0.350 0.400 0.800 Mn 0.241 0.200 0.400 Mn 0.650 0.600 0.200 Mn 0.000 0.000 0.000 Ga 0.758 0.300 0.600 Ga 0.349 0.900 0.800 Ga 0.651 0.100 0.200 Ga 0.242 0.700 0.400 Ga 1.000 0.500 0.000 Ni 0.255 0.050 0.600 Ni 0.154 0.850 0.200 Ni 0.500 0.750 1.000 Ni 0.255 0.550 0.600 Ni 0.154 0.350 0.200 Ni 0.745 0.950 0.400 Ni 0.846 0.150 0.800 Ni 0.745 0.450 0.400 Ni 0.846 0.650 0.800 Ni 0.500 0.250 1.000 <coord> |
<forme>-0.78<forme><bg>0.0<bg><abc>3.896 7.577 7.577<abc><angles>90.000 90.000 90.000<angles><comp>Dy4 Mg2 Pd4<comp><coord>Dy 0.500 0.170 0.670 Dy 0.500 0.830 0.330 Dy 0.500 0.330 0.170 Dy 0.500 0.670 0.830 Mg 0.000 0.000 0.000 Mg 0.000 0.500 0.500 Pd 0.000 0.632 0.132 Pd 0.000 0.368 0.868 Pd 0.000 0.868 0.632 Pd 0.000 0.132 0.368 <coord> |
<forme>-0.74<forme><bg>0.0<bg><abc>4.594 5.985 5.985<abc><angles>60.029 67.432 67.432<angles><comp>Sr2 Cd1 Pt2<comp><coord>Sr 0.800 0.700 0.700 Sr 0.200 0.300 0.300 Cd 0.000 0.000 0.000 Pt 0.500 0.727 0.273 Pt 0.500 0.273 0.727 <coord> |
<forme>-1.08<forme><bg>1.37<bg><abc>6.142 6.142 8.148<abc><angles>90.000 90.000 120.000<angles><comp>Rb4 Te2<comp><coord>Rb 0.000 0.000 0.000 Rb 0.000 0.000 0.500 Rb 0.667 0.333 0.750 Rb 0.333 0.667 0.250 Te 0.333 0.667 0.750 Te 0.667 0.333 0.250 <coord> |
<forme>-0.89<forme><bg>0.0<bg><abc>5.523 5.523 5.523<abc><angles>90.000 90.000 90.000<angles><comp>Na4 O8<comp><coord>Na 0.000 0.500 0.500 Na 0.500 0.500 0.000 Na 0.500 0.000 0.500 Na 0.000 0.000 0.000 O 0.429 0.071 0.929 O 0.071 0.929 0.429 O 0.929 0.429 0.071 O 0.571 0.571 0.571 O 0.429 0.429 0.429 O 0.071 0.571 0.929 O 0.929 0.071 0.571 O 0.571 0.929 0.071 <coord> |
<forme>-3.01<forme><bg>3.9<bg><abc>3.733 3.733 6.655<abc><angles>73.713 73.713 60.000<angles><comp>K1 La1 O2<comp><coord>K 0.000 0.000 0.000 La 0.500 0.500 0.500 O 0.770 0.770 0.691 O 0.230 0.230 0.309 <coord> |
<forme>-0.28<forme><bg>1.02<bg><abc>6.073 6.073 6.073<abc><angles>60.000 60.000 60.000<angles><comp>Cs1 Rb1 Au2<comp><coord>Cs 0.500 0.500 0.500 Rb 0.000 0.000 0.000 Au 0.250 0.250 0.250 Au 0.750 0.750 0.750 <coord> |
<forme>-1.53<forme><bg>3.04<bg><abc>8.203 8.203 8.203<abc><angles>60.000 60.000 60.000<angles><comp>K1 Rb2 As1 Br6<comp><coord>K 0.500 0.500 0.500 Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 As 0.000 0.000 0.000 Br 0.230 0.770 0.230 Br 0.230 0.230 0.770 Br 0.770 0.230 0.770 Br 0.230 0.770 0.770 Br 0.770 0.230 0.230 Br 0.770 0.770 0.230 <coord> |
<forme>-2.17<forme><bg>0.48<bg><abc>8.589 8.589 8.589<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 K1 Ce1 Br6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 K 0.500 0.500 0.500 Ce 0.000 0.000 0.000 Br 0.239 0.761 0.239 Br 0.239 0.239 0.761 Br 0.761 0.239 0.761 Br 0.239 0.761 0.761 Br 0.761 0.239 0.239 Br 0.761 0.761 0.239 <coord> |
<forme>-0.93<forme><bg>0.0<bg><abc>5.041 5.041 5.041<abc><angles>90.000 90.000 90.000<angles><comp>Nd3 In1 N1<comp><coord>Nd 0.500 0.500 0.000 Nd 0.000 0.500 0.500 Nd 0.500 0.000 0.500 In 0.000 0.000 0.000 N 0.500 0.500 0.500 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>4.141 7.551 8.715<abc><angles>105.210 90.000 105.915<angles><comp>Sr4 Mg2<comp><coord>Sr 0.684 0.369 0.139 Sr 0.977 0.954 0.268 Sr 0.023 0.046 0.732 Sr 0.316 0.631 0.861 Mg 0.326 0.652 0.455 Mg 0.674 0.348 0.545 <coord> |
<forme>-2.9<forme><bg>0.12<bg><abc>5.778 5.792 8.167<abc><angles>90.000 89.755 90.000<angles><comp>Sr4 Lu2 Ru2 O12<comp><coord>Sr 0.994 0.027 0.249 Sr 0.506 0.527 0.251 Sr 0.494 0.473 0.749 Sr 0.006 0.973 0.751 Lu 0.000 0.500 0.500 Lu 0.500 0.000 0.000 Ru 0.500 0.000 0.500 Ru 1.000 0.500 0.000 O 0.566 0.013 0.738 O 0.934 0.513 0.762 O 0.434 0.987 0.262 O 0.066 0.487 0.238 O 0.294 0.730 0.535 O 0.206 0.230 0.965 O 0.706 0.270 0.465 O 0.794 0.770 0.035 O 0.732 0.292 0.034 O 0.768 0.792 0.466 O 0.268 0.708 0.966 O 0.232 0.208 0.534 <coord> |
<forme>-1.06<forme><bg>0.0<bg><abc>3.408 9.160 9.160<abc><angles>120.000 90.000 90.000<angles><comp>Ag6 C3 O9<comp><coord>Ag 0.500 0.334 0.342 Ag 0.500 0.658 0.993 Ag 0.500 0.007 0.666 Ag 0.000 0.336 0.033 Ag 0.000 0.967 0.303 Ag 0.000 0.697 0.664 C 0.500 0.000 0.000 C 0.500 0.667 0.333 C 0.000 0.333 0.667 O 0.500 0.054 0.161 O 0.500 0.839 0.893 O 0.500 0.107 0.946 O 0.500 0.611 0.439 O 0.500 0.828 0.389 O 0.500 0.561 0.172 O 0.000 0.498 0.759 O 0.000 0.241 0.739 O 0.000 0.261 0.502 <coord> |
<forme>-1.56<forme><bg>1.59<bg><abc>7.866 7.895 7.895<abc><angles>60.244 80.265 99.735<angles><comp>Na3 Gd1 I6<comp><coord>Na 1.000 0.333 0.333 Na 0.500 0.829 0.829 Na 0.000 0.667 0.667 Gd 1.000 0.000 0.000 I 0.760 0.235 0.763 I 0.756 0.918 0.401 I 0.755 0.600 0.081 I 0.244 0.401 0.918 I 0.245 0.081 0.600 I 0.240 0.763 0.235 <coord> |
<forme>-0.78<forme><bg>0.0<bg><abc>4.132 5.424 10.529<abc><angles>90.000 90.000 90.000<angles><comp>Ti6 Rh10<comp><coord>Ti 0.000 0.000 0.000 Ti 0.000 0.500 0.500 Ti 0.500 0.340 0.144 Ti 0.500 0.660 0.856 Ti 0.500 0.840 0.356 Ti 0.500 0.160 0.644 Rh 0.000 0.000 0.500 Rh 0.000 0.500 0.000 Rh 0.000 0.103 0.236 Rh 0.000 0.897 0.764 Rh 0.000 0.603 0.264 Rh 0.000 0.397 0.736 Rh 0.500 0.314 0.393 Rh 0.500 0.686 0.607 Rh 0.500 0.814 0.107 Rh 0.500 0.186 0.893 <coord> |
<forme>-0.7<forme><bg>0.0<bg><abc>5.429 5.429 6.725<abc><angles>113.806 113.806 90.000<angles><comp>Nd4 H10<comp><coord>Nd 0.497 0.997 0.993 Nd 0.747 0.747 0.493 Nd 0.003 0.503 0.007 Nd 0.253 0.253 0.507 H 0.375 0.894 0.250 H 0.875 0.356 0.250 H 0.644 0.625 0.750 H 0.106 0.125 0.750 H 0.375 0.356 0.250 H 0.875 0.894 0.250 H 0.644 0.125 0.750 H 0.106 0.625 0.750 H 0.250 0.750 0.500 H 0.500 0.500 0.000 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>4.850 4.850 6.732<abc><angles>90.000 90.000 120.000<angles><comp>Al3 Ge3 Mo3<comp><coord>Al 0.336 0.168 0.000 Al 0.832 0.664 0.333 Al 0.832 0.168 0.667 Ge 0.996 0.498 0.000 Ge 0.502 0.004 0.333 Ge 0.502 0.498 0.667 Mo 0.664 0.832 0.000 Mo 0.168 0.336 0.333 Mo 0.168 0.832 0.667 <coord> |
<forme>-0.38<forme><bg>0.0<bg><abc>2.873 5.079 7.695<abc><angles>90.000 90.000 106.430<angles><comp>Be2 Pd6<comp><coord>Be 0.747 0.494 0.250 Be 0.253 0.506 0.750 Pd 0.433 0.865 0.250 Pd 0.567 0.135 0.750 Pd 0.136 0.273 0.061 Pd 0.864 0.727 0.939 Pd 0.864 0.727 0.561 Pd 0.136 0.273 0.439 <coord> |
<forme>-1.64<forme><bg>3.26<bg><abc>6.597 6.597 6.597<abc><angles>60.000 60.000 60.000<angles><comp>K1 Mo1 H8 N2 F6<comp><coord>K 0.500 0.500 0.500 Mo 0.000 0.000 0.000 H 0.442 0.186 0.186 H 0.558 0.814 0.814 H 0.186 0.186 0.442 H 0.186 0.186 0.186 H 0.814 0.814 0.558 H 0.814 0.814 0.814 H 0.186 0.442 0.186 H 0.814 0.558 0.814 N 0.250 0.250 0.250 N 0.750 0.750 0.750 F 0.776 0.776 0.224 F 0.224 0.224 0.776 F 0.776 0.224 0.224 F 0.224 0.776 0.776 F 0.776 0.224 0.776 F 0.224 0.776 0.224 <coord> |
<forme>-0.78<forme><bg>0.0<bg><abc>4.195 4.195 5.731<abc><angles>111.469 111.469 90.000<angles><comp>Y1 Si3 Ir1<comp><coord>Y 0.998 0.998 0.997 Si 0.414 0.414 0.829 Si 0.264 0.764 0.529 Si 0.764 0.264 0.529 Ir 0.652 0.652 0.304 <coord> |
<forme>-2.47<forme><bg>0.88<bg><abc>5.592 5.592 9.336<abc><angles>90.000 90.000 120.000<angles><comp>Ba1 Sr3 Mn4 O12<comp><coord>Ba 0.333 0.667 0.500 Sr 0.667 0.333 0.000 Sr 0.000 0.000 0.248 Sr 0.000 0.000 0.752 Mn 0.333 0.667 0.863 Mn 0.667 0.333 0.638 Mn 0.667 0.333 0.362 Mn 0.333 0.667 0.137 O 0.366 0.183 0.500 O 0.817 0.634 0.500 O 0.817 0.183 0.500 O 0.636 0.818 0.000 O 0.182 0.364 0.000 O 0.182 0.818 0.000 O 0.996 0.498 0.246 O 0.502 0.004 0.246 O 0.502 0.498 0.246 O 0.996 0.498 0.754 O 0.502 0.004 0.754 O 0.502 0.498 0.754 <coord> |
<forme>-0.59<forme><bg>1.09<bg><abc>3.438 3.437 39.211<abc><angles>90.000 90.000 120.000<angles><comp>Te4 W4 Se4<comp><coord>Te 0.667 0.333 0.046 Te 0.333 0.667 0.954 Te 0.333 0.667 0.858 Te 0.667 0.333 0.142 W 0.667 0.333 0.282 W 0.667 0.333 0.906 W 0.333 0.667 0.094 W 0.333 0.667 0.718 Se 0.667 0.333 0.676 Se 0.333 0.667 0.324 Se 0.333 0.667 0.240 Se 0.667 0.333 0.760 <coord> |
<forme>-0.39<forme><bg>0.0<bg><abc>5.452 5.452 6.438<abc><angles>115.051 115.051 90.000<angles><comp>Fe10 B4 P2<comp><coord>Fe 0.500 0.500 0.000 Fe 0.310 0.810 0.277 Fe 0.810 0.967 0.277 Fe 0.690 0.190 0.723 Fe 0.033 0.533 0.723 Fe 0.533 0.690 0.723 Fe 0.190 0.033 0.723 Fe 0.467 0.310 0.277 Fe 0.000 0.000 0.000 Fe 0.967 0.467 0.277 B 0.881 0.619 0.000 B 0.381 0.881 0.000 B 0.119 0.381 0.000 B 0.619 0.119 0.000 P 0.250 0.250 0.500 P 0.750 0.750 0.500 <coord> |
<forme>-1.61<forme><bg>3.64<bg><abc>7.025 7.025 8.222<abc><angles>90.000 90.000 90.000<angles><comp>As8 O12<comp><coord>As 0.774 0.452 0.105 As 0.226 0.548 0.105 As 0.274 0.952 0.395 As 0.726 0.048 0.395 As 0.452 0.226 0.895 As 0.548 0.774 0.895 As 0.952 0.726 0.605 As 0.048 0.274 0.605 O 0.683 0.342 0.918 O 0.317 0.658 0.918 O 0.183 0.842 0.582 O 0.817 0.158 0.582 O 0.342 0.317 0.082 O 0.658 0.683 0.082 O 0.842 0.817 0.418 O 0.158 0.183 0.418 O 0.000 0.500 0.501 O 0.500 0.000 0.999 O 0.500 0.000 0.499 O 0.000 0.500 0.001 <coord> |
<forme>-2.61<forme><bg>5.41<bg><abc>7.620 7.620 7.620<abc><angles>60.226 60.226 60.226<angles><comp>Rb2 Ca2 Cl6<comp><coord>Rb 0.731 0.731 0.731 Rb 0.231 0.231 0.231 Ca 0.995 0.995 0.995 Ca 0.495 0.495 0.495 Cl 0.754 0.179 0.312 Cl 0.179 0.313 0.754 Cl 0.312 0.754 0.179 Cl 0.812 0.679 0.254 Cl 0.254 0.813 0.679 Cl 0.679 0.254 0.812 <coord> |
<forme>-2.95<forme><bg>0.0<bg><abc>3.929 3.929 11.790<abc><angles>90.000 90.000 90.000<angles><comp>La1 Ta2 Cu1 Br1 O7<comp><coord>La 0.500 0.500 0.000 Ta 0.000 0.000 0.191 Ta 0.000 0.000 0.809 Cu 0.000 0.000 0.500 Br 0.500 0.500 0.500 O 0.000 0.500 0.156 O 0.000 0.500 0.844 O 0.500 0.000 0.156 O 0.500 0.000 0.844 O 0.000 0.000 0.344 O 0.000 0.000 0.656 O 0.000 0.000 0.000 <coord> |
<forme>-1.44<forme><bg>0.79<bg><abc>5.659 5.664 5.666<abc><angles>89.191 60.064 60.059<angles><comp>Li2 Co4 O8<comp><coord>Li 0.500 0.000 0.500 Li 0.000 1.000 0.500 Co 0.500 0.000 0.000 Co 0.500 0.500 1.000 Co 1.000 0.500 0.500 Co 0.000 0.500 0.000 O 0.977 0.283 0.763 O 0.477 0.264 0.784 O 0.523 0.736 0.216 O 0.023 0.717 0.237 O 0.029 0.266 0.234 O 0.529 0.734 0.765 O 0.471 0.266 0.235 O 0.971 0.734 0.766 <coord> |
<forme>-0.37<forme><bg>0.0<bg><abc>4.415 6.676 10.117<abc><angles>90.000 90.000 90.000<angles><comp>Tb4 Zn12<comp><coord>Tb 0.250 0.280 0.663 Tb 0.250 0.780 0.837 Tb 0.750 0.720 0.337 Tb 0.750 0.220 0.163 Zn 0.250 0.536 0.104 Zn 0.250 0.036 0.396 Zn 0.750 0.464 0.896 Zn 0.750 0.964 0.604 Zn 0.250 0.918 0.148 Zn 0.250 0.418 0.352 Zn 0.750 0.082 0.852 Zn 0.750 0.582 0.648 Zn 0.250 0.217 0.957 Zn 0.250 0.717 0.543 Zn 0.750 0.783 0.043 Zn 0.750 0.283 0.457 <coord> |
<forme>-0.1<forme><bg>0.0<bg><abc>4.902 5.360 11.743<abc><angles>90.000 90.000 90.000<angles><comp>In3 Sn1 Au12<comp><coord>In 0.500 0.668 0.500 In 0.000 0.334 0.749 In 0.000 0.334 0.251 Sn 0.500 0.666 0.000 Au 0.000 0.327 0.000 Au 0.000 0.333 0.500 Au 0.500 0.668 0.747 Au 0.500 0.668 0.253 Au 0.500 0.166 0.626 Au 0.500 0.166 0.128 Au 0.500 0.166 0.872 Au 0.500 0.166 0.374 Au 0.000 0.835 0.624 Au 0.000 0.835 0.125 Au 0.000 0.835 0.875 Au 0.000 0.835 0.376 <coord> |
<forme>-1.19<forme><bg>0.52<bg><abc>3.617 6.150 6.577<abc><angles>88.317 89.999 89.999<angles><comp>Ag1 Cr1 S4 Zr1<comp><coord>Ag 1.000 0.000 0.000 Cr 1.000 0.000 0.500 S 1.000 0.316 0.721 S 0.500 0.844 0.711 S 0.500 0.156 0.289 S 0.000 0.683 0.279 Zr 0.500 0.500 0.500 <coord> |
<forme>-2.35<forme><bg>2.05<bg><abc>5.079 5.079 6.192<abc><angles>90.000 90.000 112.492<angles><comp>V2 Cr2 O8<comp><coord>V 0.645 0.355 0.750 V 0.355 0.645 0.250 Cr 0.000 0.000 0.000 Cr 1.000 0.000 0.500 O 0.210 0.257 0.250 O 0.790 0.743 0.750 O 0.257 0.210 0.750 O 0.743 0.790 0.250 O 0.235 0.765 0.032 O 0.765 0.235 0.532 O 0.765 0.235 0.968 O 0.235 0.765 0.468 <coord> |
<forme>-1.46<forme><bg>0.0<bg><abc>5.222 5.228 7.721<abc><angles>89.998 90.229 89.987<angles><comp>Zn4 Fe2 Ir2 O12<comp><coord>Zn 0.008 0.968 0.754 Zn 0.492 0.467 0.746 Zn 0.508 0.533 0.254 Zn 0.992 0.032 0.246 Fe 1.000 0.500 1.000 Fe 0.500 1.000 0.500 Ir 0.000 0.500 0.500 Ir 0.500 0.000 0.000 O 0.882 0.414 0.256 O 0.824 0.174 0.938 O 0.831 0.179 0.569 O 0.669 0.679 0.931 O 0.676 0.674 0.562 O 0.618 0.914 0.244 O 0.382 0.086 0.756 O 0.324 0.326 0.438 O 0.331 0.321 0.069 O 0.176 0.826 0.062 O 0.169 0.821 0.431 O 0.118 0.586 0.744 <coord> |
<forme>-0.6<forme><bg>0.0<bg><abc>4.370 4.370 8.364<abc><angles>90.000 90.000 120.000<angles><comp>Ce2 Ni2 Sn2 H4<comp><coord>Ce 0.000 0.000 0.500 Ce 0.000 0.000 0.000 Ni 0.333 0.667 0.250 Ni 0.667 0.333 0.750 Sn 0.667 0.333 0.250 Sn 0.333 0.667 0.750 H 0.667 0.333 0.557 H 0.333 0.667 0.443 H 0.667 0.333 0.943 H 0.333 0.667 0.057 <coord> |
<forme>-1.93<forme><bg>1.49<bg><abc>5.456 5.606 7.052<abc><angles>105.361 103.001 106.142<angles><comp>Cd2 Ge4 O10<comp><coord>Cd 0.666 0.314 0.762 Cd 0.334 0.686 0.238 Ge 0.685 0.319 0.249 Ge 0.315 0.681 0.751 Ge 0.000 0.000 0.500 Ge 0.000 0.000 0.000 O 0.291 0.873 0.589 O 0.709 0.127 0.411 O 0.629 0.776 0.945 O 0.371 0.224 0.055 O 0.073 0.679 0.884 O 0.927 0.321 0.116 O 0.085 0.945 0.253 O 0.915 0.055 0.747 O 0.724 0.645 0.398 O 0.276 0.355 0.602 <coord> |
<forme>-0.83<forme><bg>0.0<bg><abc>4.512 7.464 8.576<abc><angles>90.000 90.000 90.000<angles><comp>Eu4 In4 Pt4<comp><coord>Eu 0.750 0.468 0.822 Eu 0.250 0.032 0.322 Eu 0.750 0.968 0.678 Eu 0.250 0.532 0.178 In 0.250 0.648 0.564 In 0.250 0.148 0.936 In 0.750 0.352 0.436 In 0.750 0.852 0.064 Pt 0.250 0.770 0.877 Pt 0.250 0.270 0.623 Pt 0.750 0.730 0.377 Pt 0.750 0.230 0.123 <coord> |
<forme>-0.37<forme><bg>0.0<bg><abc>5.172 5.172 5.172<abc><angles>60.000 60.000 60.000<angles><comp>Y2 Al1 Ag1<comp><coord>Y 0.750 0.750 0.750 Y 0.250 0.250 0.250 Al 0.000 0.000 0.000 Ag 0.500 0.500 0.500 <coord> |
<forme>-1.06<forme><bg>2.06<bg><abc>3.849 3.849 12.781<abc><angles>81.341 81.341 60.000<angles><comp>Zn4 S4<comp><coord>Zn 0.417 0.417 0.750 Zn 0.000 0.000 1.000 Zn 0.583 0.583 0.250 Zn 0.833 0.833 0.500 S 0.646 0.646 0.062 S 0.896 0.896 0.312 S 0.479 0.479 0.563 S 0.063 0.063 0.812 <coord> |
<forme>-0.91<forme><bg>0.87<bg><abc>7.478 7.555 7.555<abc><angles>60.231 60.338 60.338<angles><comp>Cr2 Cd2 In2 S8<comp><coord>Cr 0.500 0.500 0.000 Cr 0.000 0.500 1.000 Cd 0.626 0.124 0.624 Cd 0.374 0.876 0.376 In 0.000 0.000 0.000 In 0.000 0.500 0.500 S 0.214 0.273 0.773 S 0.740 0.273 0.773 S 0.754 0.708 0.785 S 0.754 0.285 0.208 S 0.786 0.727 0.227 S 0.260 0.727 0.227 S 0.246 0.292 0.215 S 0.246 0.715 0.792 <coord> |
<forme>-2.19<forme><bg>5.28<bg><abc>7.412 7.432 7.432<abc><angles>60.508 60.088 60.088<angles><comp>Li4 Mg2 Cl8<comp><coord>Li 0.134 0.616 0.116 Li 0.500 1.000 0.500 Li 1.000 0.000 0.500 Li 0.866 0.384 0.884 Mg 0.500 0.000 1.000 Mg 0.500 0.500 0.500 Cl 0.730 0.753 0.253 Cl 0.263 0.753 0.253 Cl 0.262 0.225 0.250 Cl 0.262 0.750 0.725 Cl 0.738 0.250 0.275 Cl 0.738 0.775 0.750 Cl 0.737 0.247 0.747 Cl 0.270 0.247 0.747 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>3.970 3.970 6.140<abc><angles>108.865 108.865 90.000<angles><comp>Gd1 Mn2 Ge2<comp><coord>Gd 0.000 0.000 0.000 Mn 0.750 0.250 0.500 Mn 0.250 0.750 0.500 Ge 0.621 0.621 0.241 Ge 0.379 0.379 0.759 <coord> |
<forme>-2.31<forme><bg>0.0<bg><abc>3.932 3.932 7.124<abc><angles>73.981 73.981 60.000<angles><comp>La1 Tm1 S2<comp><coord>La 0.000 0.000 0.000 Tm 0.500 0.500 0.500 S 0.241 0.241 0.278 S 0.759 0.759 0.722 <coord> |
<forme>-0.77<forme><bg>0.0<bg><abc>3.755 6.614 11.301<abc><angles>89.618 90.000 90.000<angles><comp>Zr3 Nb3 Si6 Ru6<comp><coord>Zr 0.500 0.290 0.291 Zr 0.500 0.291 0.709 Zr 0.500 0.790 0.209 Nb 0.500 0.421 0.999 Nb 0.500 0.917 0.501 Nb 0.500 0.791 0.792 Si 0.000 0.993 0.666 Si 0.000 0.498 0.163 Si 0.000 0.503 0.836 Si 0.000 0.998 0.337 Si 0.500 0.004 0.997 Si 0.500 0.507 0.500 Ru 0.000 0.754 0.998 Ru 0.000 0.254 0.501 Ru 0.000 0.623 0.623 Ru 0.000 0.123 0.122 Ru 0.000 0.122 0.877 Ru 0.000 0.622 0.379 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>5.329 5.329 5.329<abc><angles>60.000 60.000 60.000<angles><comp>Dy1 Lu1 Tl2<comp><coord>Dy 0.750 0.750 0.750 Lu 0.250 0.250 0.250 Tl 0.000 0.000 0.000 Tl 0.500 0.500 0.500 <coord> |
<forme>-0.82<forme><bg>0.0<bg><abc>5.555 5.555 5.555<abc><angles>60.000 60.000 60.000<angles><comp>Eu2 Hg1 Sb1<comp><coord>Eu 0.750 0.750 0.750 Eu 0.250 0.250 0.250 Hg 0.500 0.500 0.500 Sb 0.000 0.000 0.000 <coord> |
<forme>-1.07<forme><bg>0.0<bg><abc>2.820 2.844 10.199<abc><angles>82.469 82.376 60.293<angles><comp>Co1 O2<comp><coord>Co 0.000 0.000 0.993 O 0.638 0.636 0.087 O 0.363 0.364 0.900 <coord> |
<forme>-0.4<forme><bg>0.0<bg><abc>4.060 4.085 10.910<abc><angles>90.000 100.723 90.000<angles><comp>Ho2 Cu1 Ge6<comp><coord>Ho 0.996 0.000 0.991 Ho 0.331 0.000 0.661 Cu 0.776 0.500 0.552 Ge 0.715 1.000 0.430 Ge 0.598 0.000 0.197 Ge 0.457 0.500 0.913 Ge 0.884 0.500 0.768 Ge 0.098 0.500 0.195 Ge 0.215 0.500 0.430 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.599 5.720 8.049<abc><angles>90.000 90.000 113.707<angles><comp>Na2 In4 Au2<comp><coord>Na 0.570 0.141 0.750 Na 0.430 0.859 0.250 In 0.140 0.281 0.053 In 0.860 0.719 0.947 In 0.860 0.719 0.553 In 0.140 0.281 0.447 Au 0.284 0.569 0.750 Au 0.716 0.431 0.250 <coord> |
<forme>-1.32<forme><bg>0.0<bg><abc>3.182 3.182 5.496<abc><angles>73.174 73.174 60.000<angles><comp>Zr1 Ti1 C1 N1<comp><coord>Zr 0.250 0.250 0.249 Ti 0.749 0.749 0.754 C 0.006 0.006 0.982 N 0.495 0.495 0.515 <coord> |
<forme>-1.04<forme><bg>0.0<bg><abc>5.624 6.691 6.691<abc><angles>64.949 65.147 65.147<angles><comp>Nd2 Si4 Rh6<comp><coord>Nd 0.461 0.250 0.250 Nd 0.539 0.750 0.750 Si 0.776 0.421 0.421 Si 0.224 0.579 0.579 Si 0.881 0.921 0.921 Si 0.119 0.079 0.079 Rh 0.500 0.216 0.784 Rh 0.000 0.716 0.284 Rh 0.500 0.784 0.216 Rh 1.000 0.284 0.716 Rh 0.000 1.000 0.500 Rh 0.000 0.500 0.000 <coord> |
<forme>-0.39<forme><bg>0.0<bg><abc>4.591 4.591 4.591<abc><angles>60.000 60.000 60.000<angles><comp>Pa1 Zn1 Ru2<comp><coord>Pa 0.500 0.500 0.500 Zn 0.000 0.000 0.000 Ru 0.750 0.750 0.750 Ru 0.250 0.250 0.250 <coord> |
<forme>-2.58<forme><bg>0.44<bg><abc>4.664 5.537 7.553<abc><angles>84.767 88.375 88.709<angles><comp>V6 O10 F2<comp><coord>V 0.519 0.835 0.670 V 0.493 0.509 0.997 V 0.523 0.179 0.340 V 0.999 0.321 0.674 V 0.973 0.653 0.320 V 0.994 0.009 0.985 O 0.805 0.373 0.436 O 0.801 0.710 0.096 O 0.799 0.020 0.772 O 0.689 0.205 0.109 O 0.696 0.517 0.779 O 0.716 0.867 0.425 O 0.310 0.137 0.552 O 0.298 0.477 0.237 O 0.293 0.796 0.904 O 0.200 0.290 0.910 F 0.195 0.968 0.228 F 0.198 0.635 0.566 <coord> |
<forme>-1.89<forme><bg>1.64<bg><abc>7.325 7.325 7.325<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Li1 Mo1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Li 0.500 0.500 0.500 Mo 0.000 0.000 0.000 Cl 0.240 0.760 0.240 Cl 0.240 0.240 0.760 Cl 0.760 0.240 0.760 Cl 0.240 0.760 0.760 Cl 0.760 0.240 0.240 Cl 0.760 0.760 0.240 <coord> |
<forme>-0.69<forme><bg>0.0<bg><abc>3.559 5.988 12.449<abc><angles>100.088 90.000 90.000<angles><comp>Si10 Rh8<comp><coord>Si 0.250 0.513 0.077 Si 0.250 0.980 0.140 Si 0.750 0.638 0.635 Si 0.750 0.893 0.422 Si 0.750 0.467 0.224 Si 0.750 0.487 0.923 Si 0.250 0.362 0.365 Si 0.250 0.533 0.776 Si 0.750 0.020 0.860 Si 0.250 0.107 0.578 Rh 0.750 0.300 0.500 Rh 0.250 0.700 0.500 Rh 0.250 0.892 0.727 Rh 0.750 0.108 0.273 Rh 0.750 0.285 0.730 Rh 0.750 0.209 0.050 Rh 0.250 0.791 0.950 Rh 0.250 0.715 0.270 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>3.575 6.786 6.786<abc><angles>120.000 90.000 90.000<angles><comp>Ge3 Pt6<comp><coord>Ge 0.000 0.333 0.667 Ge 1.000 0.667 0.333 Ge 0.500 0.000 0.000 Pt 0.500 0.381 0.381 Pt 0.500 0.619 0.000 Pt 0.500 0.000 0.619 Pt 1.000 0.000 0.281 Pt 0.000 0.281 0.000 Pt 0.000 0.719 0.719 <coord> |
<forme>-2.65<forme><bg>2.66<bg><abc>5.333 5.333 5.592<abc><angles>61.518 61.518 60.000<angles><comp>Co1 Sn1 F6<comp><coord>Co 0.500 0.500 0.500 Sn 0.000 0.000 0.000 F 0.364 0.129 0.753 F 0.754 0.364 0.753 F 0.871 0.246 0.247 F 0.246 0.636 0.247 F 0.636 0.871 0.247 F 0.129 0.754 0.753 <coord> |
<forme>-4.33<forme><bg>4.86<bg><abc>5.470 5.536 5.542<abc><angles>100.038 90.000 90.000<angles><comp>Tm4 O4 F4<comp><coord>Tm 0.526 0.305 0.713 Tm 0.474 0.695 0.287 Tm 0.026 0.695 0.787 Tm 0.974 0.305 0.213 O 0.754 0.539 0.510 O 0.246 0.461 0.490 O 0.254 0.461 0.990 O 0.746 0.539 0.010 F 0.826 0.058 0.845 F 0.174 0.942 0.155 F 0.326 0.942 0.655 F 0.674 0.058 0.345 <coord> |
<forme>-0.1<forme><bg>0.0<bg><abc>6.039 7.743 7.743<abc><angles>120.000 90.000 90.000<angles><comp>Ac6 Tl2<comp><coord>Ac 0.750 0.826 0.174 Ac 0.750 0.349 0.174 Ac 0.750 0.826 0.651 Ac 0.250 0.174 0.826 Ac 0.250 0.651 0.826 Ac 0.250 0.174 0.349 Tl 0.250 0.667 0.333 Tl 0.750 0.333 0.667 <coord> |
<forme>-1.56<forme><bg>0.58<bg><abc>6.499 7.523 7.789<abc><angles>90.000 90.000 94.521<angles><comp>La4 Cu4 Te4 S4<comp><coord>La 0.643 0.275 0.472 La 0.357 0.225 0.972 La 0.357 0.725 0.528 La 0.643 0.775 0.028 Cu 0.930 0.958 0.658 Cu 0.930 0.458 0.842 Cu 0.070 0.042 0.342 Cu 0.070 0.542 0.158 Te 0.877 0.221 0.107 Te 0.123 0.279 0.607 Te 0.877 0.721 0.393 Te 0.123 0.779 0.893 S 0.408 1.000 0.271 S 0.592 0.500 0.771 S 0.408 0.500 0.229 S 0.592 0.000 0.729 <coord> |
<forme>-2.79<forme><bg>2.6<bg><abc>5.989 5.989 6.127<abc><angles>60.742 60.742 60.000<angles><comp>Ho2 Bi2 O6<comp><coord>Ho 0.858 0.858 0.426 Ho 0.142 0.142 0.574 Bi 0.643 0.643 0.070 Bi 0.357 0.357 0.930 O 0.544 0.219 0.250 O 0.781 0.012 0.750 O 0.012 0.456 0.750 O 0.988 0.544 0.250 O 0.219 0.988 0.250 O 0.456 0.781 0.750 <coord> |
<forme>-0.72<forme><bg>0.0<bg><abc>4.109 4.109 5.817<abc><angles>110.682 110.682 90.000<angles><comp>Ce1 Cu1 Si2 Pd1<comp><coord>Ce 0.000 0.000 0.000 Cu 0.250 0.750 0.500 Si 0.617 0.617 0.235 Si 0.383 0.383 0.765 Pd 0.750 0.250 0.500 <coord> |
<forme>-0.68<forme><bg>1.34<bg><abc>7.401 7.472 8.089<abc><angles>116.296 90.000 119.687<angles><comp>Al4 Te6<comp><coord>Al 0.820 0.837 0.497 Al 0.189 0.513 0.506 Al 0.016 0.837 0.997 Al 0.324 0.513 0.006 Te 0.703 0.567 0.112 Te 0.021 0.239 0.120 Te 0.383 0.928 0.139 Te 0.863 0.567 0.612 Te 0.218 0.239 0.620 Te 0.545 0.928 0.639 <coord> |
<forme>-2.11<forme><bg>5.02<bg><abc>5.523 5.523 6.199<abc><angles>90.000 90.000 120.000<angles><comp>Na4 S2 O6<comp><coord>Na 0.667 0.333 0.334 Na 0.000 0.000 0.500 Na 0.333 0.667 0.666 Na 0.000 0.000 0.000 S 0.667 0.333 0.835 S 0.333 0.667 0.165 O 0.262 0.382 0.265 O 0.618 0.879 0.265 O 0.121 0.738 0.265 O 0.738 0.618 0.735 O 0.879 0.262 0.735 O 0.382 0.121 0.735 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>3.078 9.356 9.356<abc><angles>90.000 90.000 90.000<angles><comp>Zr4 Fe2 B4 Ru10<comp><coord>Zr 0.000 0.676 0.176 Zr 0.000 0.324 0.824 Zr 0.000 0.176 0.324 Zr 0.000 0.824 0.676 Fe 0.000 0.000 0.000 Fe 0.000 0.500 0.500 B 0.000 0.124 0.624 B 0.000 0.876 0.376 B 0.000 0.624 0.876 B 0.000 0.376 0.124 Ru 0.500 0.214 0.070 Ru 0.500 0.786 0.930 Ru 0.500 0.070 0.786 Ru 0.500 0.714 0.430 Ru 0.500 0.930 0.214 Ru 0.500 0.286 0.570 Ru 0.500 0.570 0.714 Ru 0.500 0.430 0.286 Ru 0.500 0.500 0.000 Ru 0.500 0.000 0.500 <coord> |
<forme>-2.35<forme><bg>1.66<bg><abc>6.822 6.970 6.840<abc><angles>90.000 80.748 90.000<angles><comp>Gd4 S4 Br4<comp><coord>Gd 0.210 0.035 0.681 Gd 0.790 0.965 0.319 Gd 0.290 0.535 0.319 Gd 0.710 0.465 0.681 S 0.008 0.260 0.446 S 0.992 0.740 0.554 S 0.492 0.760 0.554 S 0.508 0.240 0.446 Br 0.287 0.384 0.915 Br 0.713 0.616 0.085 Br 0.213 0.884 0.085 Br 0.787 0.116 0.915 <coord> |
<forme>-0.92<forme><bg>0.21<bg><abc>4.004 4.004 5.447<abc><angles>90.000 90.000 90.000<angles><comp>Li1 Bi1 S2<comp><coord>Li 0.000 0.000 0.000 Bi 0.500 0.500 0.500 S 0.500 0.500 0.000 S 0.000 0.000 0.500 <coord> |
<forme>-1.44<forme><bg>3.18<bg><abc>5.614 6.006 7.508<abc><angles>110.023 99.309 106.195<angles><comp>Na2 Ni1 H4 Se2 O10<comp><coord>Na 0.336 0.708 0.251 Na 0.664 0.292 0.749 Ni 0.000 0.000 0.000 H 0.854 0.874 0.621 H 0.146 0.126 0.379 H 0.082 0.142 0.716 H 0.918 0.858 0.284 Se 0.339 0.667 0.763 Se 0.661 0.333 0.237 O 0.104 0.679 0.878 O 0.896 0.321 0.122 O 0.619 0.759 0.937 O 0.381 0.241 0.063 O 0.356 0.834 0.627 O 0.644 0.166 0.373 O 0.275 0.358 0.629 O 0.725 0.642 0.371 O 0.927 0.039 0.739 O 0.073 0.961 0.261 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>3.860 3.860 3.860<abc><angles>90.000 90.000 90.000<angles><comp>Yb1 Tl1<comp><coord>Yb 0.500 0.500 0.500 Tl 0.000 0.000 0.000 <coord> |
<forme>-0.38<forme><bg>0.0<bg><abc>4.559 5.748 5.748<abc><angles>79.311 66.637 66.637<angles><comp>Sm2 Zn4<comp><coord>Sm 0.466 0.284 0.784 Sm 0.534 0.716 0.216 Zn 0.166 0.883 0.785 Zn 0.834 0.117 0.215 Zn 0.166 0.285 0.383 Zn 0.834 0.715 0.617 <coord> |
<forme>-0.25<forme><bg>0.0<bg><abc>5.876 8.672 8.672<abc><angles>83.411 70.199 70.199<angles><comp>Zr12 Bi4<comp><coord>Zr 0.054 0.029 0.399 Zr 0.482 0.971 0.601 Zr 0.918 0.601 0.029 Zr 0.547 0.399 0.971 Zr 0.443 0.670 0.379 Zr 0.492 0.330 0.621 Zr 0.888 0.621 0.670 Zr 0.178 0.379 0.330 Zr 0.807 0.973 0.815 Zr 0.595 0.027 0.185 Zr 0.220 0.185 0.973 Zr 0.379 0.815 0.027 Bi 0.001 0.255 0.677 Bi 0.933 0.745 0.323 Bi 0.744 0.323 0.255 Bi 0.322 0.677 0.745 <coord> |
<forme>-0.02<forme><bg>0.0<bg><abc>3.249 3.249 9.784<abc><angles>90.000 90.000 120.000<angles><comp>Mg2 Cd2<comp><coord>Mg 0.667 0.333 0.371 Mg 0.333 0.667 0.629 Cd 0.333 0.667 0.126 Cd 0.667 0.333 0.874 <coord> |
<forme>-1.26<forme><bg>0.66<bg><abc>5.483 5.483 7.915<abc><angles>88.840 88.840 68.450<angles><comp>K4 Ni3 O6<comp><coord>K 0.325 0.325 0.374 K 0.675 0.675 0.626 K 0.348 0.348 0.891 K 0.652 0.652 0.109 Ni 0.000 0.000 0.000 Ni 0.034 0.034 0.669 Ni 0.966 0.966 0.331 O 0.266 0.866 0.842 O 0.866 0.266 0.842 O 0.734 0.134 0.158 O 0.134 0.734 0.158 O 0.197 0.803 0.500 O 0.803 0.197 0.500 <coord> |
<forme>-0.4<forme><bg>0.0<bg><abc>5.292 5.292 5.292<abc><angles>88.839 60.431 119.096<angles><comp>Lu2 Al2 Cu2<comp><coord>Lu 0.250 0.375 0.875 Lu 0.750 0.625 0.125 Al 0.500 1.000 0.500 Al 1.000 0.500 0.500 Cu 1.000 1.000 0.500 Cu 0.500 1.000 0.000 <coord> |
<forme>-2.68<forme><bg>0.94<bg><abc>5.321 6.601 6.601<abc><angles>85.309 83.650 83.651<angles><comp>Li4 Mn4 O4 F8<comp><coord>Li 0.670 0.607 0.780 Li 0.170 0.780 0.607 Li 0.830 0.220 0.393 Li 0.330 0.393 0.220 Mn 0.750 0.089 0.911 Mn 0.250 0.257 0.743 Mn 0.750 0.743 0.257 Mn 0.250 0.911 0.089 O 0.599 0.806 0.999 O 0.099 0.999 0.806 O 0.901 0.001 0.194 O 0.401 0.194 0.001 F 0.873 0.374 0.868 F 0.356 0.532 0.711 F 0.627 0.132 0.626 F 0.856 0.711 0.532 F 0.144 0.289 0.468 F 0.373 0.868 0.374 F 0.644 0.468 0.289 F 0.127 0.626 0.132 <coord> |
<forme>-0.18<forme><bg>0.0<bg><abc>4.983 4.983 4.983<abc><angles>60.000 60.000 60.000<angles><comp>Tb1 Cu5<comp><coord>Tb 0.000 0.000 0.000 Cu 0.750 0.750 0.750 Cu 0.376 0.871 0.376 Cu 0.376 0.376 0.376 Cu 0.376 0.376 0.871 Cu 0.871 0.376 0.376 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>3.297 3.297 5.879<abc><angles>106.287 106.287 90.000<angles><comp>Hf2 Pd1<comp><coord>Hf 0.658 0.658 0.316 Hf 0.342 0.342 0.684 Pd 0.000 0.000 0.000 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>8.196 8.196 8.196<abc><angles>109.471 109.471 109.471<angles><comp>U6 Cu6 Sb8<comp><coord>U 0.875 0.125 0.750 U 0.625 0.375 0.250 U 0.125 0.250 0.375 U 0.375 0.750 0.125 U 0.750 0.625 0.875 U 0.250 0.875 0.625 Cu 0.375 0.625 0.750 Cu 0.125 0.875 0.250 Cu 0.625 0.250 0.875 Cu 0.875 0.750 0.625 Cu 0.750 0.125 0.375 Cu 0.250 0.375 0.125 Sb 0.000 0.500 0.672 Sb 0.328 0.328 0.828 Sb 0.500 0.172 0.500 Sb 0.172 0.000 0.000 Sb 0.828 0.828 0.328 Sb 0.000 0.500 0.172 Sb 0.500 0.672 0.500 Sb 0.672 0.000 1.000 <coord> |
<forme>-1.56<forme><bg>0.35<bg><abc>3.357 3.357 6.231<abc><angles>74.374 74.374 60.000<angles><comp>Sr1 Hf1 N2<comp><coord>Sr 0.000 0.000 0.000 Hf 0.500 0.500 0.500 N 0.767 0.767 0.698 N 0.233 0.233 0.302 <coord> |
<forme>-3.04<forme><bg>0.0<bg><abc>5.667 5.667 5.667<abc><angles>60.000 60.000 60.000<angles><comp>Sr2 Ti1 Mo1 O6<comp><coord>Sr 0.250 0.250 0.250 Sr 0.750 0.750 0.750 Ti 0.000 0.000 0.000 Mo 0.500 0.500 0.500 O 0.755 0.755 0.245 O 0.245 0.245 0.755 O 0.755 0.245 0.245 O 0.245 0.755 0.755 O 0.755 0.245 0.755 O 0.245 0.755 0.245 <coord> |
<forme>-2.63<forme><bg>1.55<bg><abc>5.793 5.793 9.985<abc><angles>73.135 73.135 60.000<angles><comp>Ba4 Co1 Re2 O12<comp><coord>Ba 0.708 0.708 0.876 Ba 0.292 0.292 0.124 Ba 0.870 0.870 0.390 Ba 0.130 0.130 0.610 Co 0.000 0.000 0.000 Re 0.581 0.581 0.257 Re 0.419 0.419 0.743 O 0.692 0.220 0.869 O 0.220 0.220 0.869 O 0.220 0.692 0.869 O 0.308 0.780 0.131 O 0.780 0.780 0.131 O 0.780 0.308 0.131 O 0.858 0.390 0.363 O 0.390 0.390 0.363 O 0.390 0.858 0.363 O 0.142 0.610 0.637 O 0.610 0.610 0.637 O 0.610 0.142 0.637 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.