text
stringlengths 140
560
|
|---|
<forme>-1.44<forme><bg>0.0<bg><abc>4.022 7.997 10.199<abc><angles>90.000 90.000 104.564<angles><comp>Cs2 Np2 Cu2 S6<comp><coord>Cs 0.260 0.519 0.750 Cs 0.740 0.481 0.250 Np 0.000 0.000 0.500 Np 0.000 0.000 0.000 Cu 0.535 0.069 0.750 Cu 0.465 0.931 0.250 S 0.612 0.224 0.558 S 0.949 0.898 0.750 S 0.612 0.224 0.942 S 0.388 0.776 0.058 S 0.051 0.102 0.250 S 0.388 0.776 0.442 <coord>
|
<forme>-4.01<forme><bg>6.88<bg><abc>3.994 5.687 7.571<abc><angles>90.000 105.293 90.000<angles><comp>Sr2 Mg2 F8<comp><coord>Sr 0.343 0.045 0.685 Sr 0.657 0.545 0.315 Mg 0.916 0.595 0.831 Mg 0.084 0.095 0.169 F 0.838 0.310 0.677 F 0.162 0.810 0.323 F 0.034 0.431 0.069 F 0.966 0.931 0.931 F 0.798 0.789 0.596 F 0.202 0.289 0.404 F 0.416 0.613 0.832 F 0.584 0.113 0.168 <coord>
|
<forme>-1.7<forme><bg>4.23<bg><abc>4.665 4.665 4.665<abc><angles>90.000 90.000 90.000<angles><comp>Cs1 I1<comp><coord>Cs 0.000 0.000 0.000 I 0.500 0.500 0.500 <coord>
|
<forme>-1.27<forme><bg>0.0<bg><abc>5.145 5.374 8.825<abc><angles>107.728 106.950 90.000<angles><comp>K4 N2 O5<comp><coord>K 1.000 0.500 1.000 K 0.500 0.000 0.000 K 0.335 0.335 0.670 K 0.665 0.665 0.330 N 0.120 0.120 0.239 N 0.880 0.880 0.761 O 0.500 0.500 0.000 O 0.162 0.960 0.323 O 0.162 0.363 0.323 O 0.838 0.040 0.677 O 0.838 0.637 0.677 <coord>
|
<forme>-0.99<forme><bg>2.49<bg><abc>7.211 7.211 7.211<abc><angles>60.000 60.000 60.000<angles><comp>Sn1 H8 N2 Cl6<comp><coord>Sn 0.000 0.000 0.000 H 0.075 0.308 0.308 H 0.692 0.692 0.925 H 0.692 0.925 0.692 H 0.692 0.692 0.692 H 0.308 0.075 0.308 H 0.308 0.308 0.308 H 0.308 0.308 0.075 H 0.925 0.692 0.692 N 0.250 0.250 0.250 N 0.750 0.750 0.750 Cl 0.757 0.758 0.243 Cl 0.757 0.243 0.243 Cl 0.242 0.758 0.758 Cl 0.757 0.243 0.758 Cl 0.242 0.758 0.243 Cl 0.242 0.243 0.758 <coord>
|
<forme>-1.97<forme><bg>4.29<bg><abc>4.151 4.151 7.191<abc><angles>73.225 73.225 60.000<angles><comp>Na2 Br1 Cl1<comp><coord>Na 0.254 0.254 0.239 Na 0.746 0.746 0.761 Br 0.500 0.500 0.500 Cl 0.000 0.000 0.000 <coord>
|
<forme>-0.45<forme><bg>0.0<bg><abc>4.158 4.158 9.229<abc><angles>90.000 90.000 90.000<angles><comp>U2 Ni4 As4<comp><coord>U 0.000 0.500 0.248 U 0.500 0.000 0.752 Ni 0.000 0.000 0.000 Ni 0.500 0.500 0.000 Ni 0.000 0.500 0.619 Ni 0.500 0.000 0.381 As 0.000 0.000 0.500 As 0.500 0.500 0.500 As 0.000 0.500 0.869 As 0.500 0.000 0.131 <coord>
|
<forme>-0.44<forme><bg>0.0<bg><abc>4.620 6.411 6.411<abc><angles>120.000 90.000 90.000<angles><comp>Sm2 Al6<comp><coord>Sm 0.750 0.333 0.667 Sm 0.250 0.667 0.333 Al 0.250 0.143 0.287 Al 0.750 0.857 0.143 Al 0.750 0.287 0.143 Al 0.750 0.857 0.713 Al 0.250 0.143 0.857 Al 0.250 0.713 0.857 <coord>
|
<forme>-0.68<forme><bg>0.0<bg><abc>4.509 4.509 4.509<abc><angles>60.000 60.000 60.000<angles><comp>Sc2 Co1 Rh1<comp><coord>Sc 0.750 0.750 0.750 Sc 0.250 0.250 0.250 Co 0.500 0.500 0.500 Rh 0.000 0.000 0.000 <coord>
|
<forme>-1.63<forme><bg>1.79<bg><abc>5.829 5.829 8.372<abc><angles>87.833 71.821 69.219<angles><comp>Na8 Fe2 O8<comp><coord>Na 0.414 0.784 0.629 Na 0.586 0.216 0.371 Na 0.792 0.256 0.981 Na 0.208 0.744 0.019 Na 0.951 0.276 0.568 Na 0.049 0.724 0.432 Na 0.760 0.763 0.831 Na 0.240 0.237 0.169 Fe 0.594 0.720 0.250 Fe 0.406 0.280 0.750 O 0.238 0.108 0.898 O 0.762 0.892 0.102 O 0.687 0.028 0.617 O 0.313 0.972 0.383 O 0.437 0.525 0.199 O 0.563 0.475 0.801 O 0.171 0.498 0.662 O 0.829 0.502 0.338 <coord>
|
<forme>-0.25<forme><bg>0.0<bg><abc>5.195 5.195 5.195<abc><angles>60.000 60.000 60.000<angles><comp>Li2 Ac1 In1<comp><coord>Li 0.250 0.250 0.250 Li 0.750 0.750 0.750 Ac 0.500 0.500 0.500 In 0.000 0.000 0.000 <coord>
|
<forme>-0.19<forme><bg>0.0<bg><abc>5.768 7.405 7.405<abc><angles>60.000 90.000 90.000<angles><comp>Eu6 Tl2<comp><coord>Eu 0.750 0.649 0.175 Eu 0.750 0.175 0.175 Eu 0.750 0.175 0.649 Eu 0.250 0.351 0.825 Eu 0.250 0.825 0.825 Eu 0.250 0.825 0.351 Tl 0.250 0.333 0.333 Tl 0.750 0.667 0.667 <coord>
|
<forme>-0.99<forme><bg>1.55<bg><abc>6.664 6.680 8.476<abc><angles>66.794 90.000 90.000<angles><comp>Cs2 Zr1 Ag2 Te4<comp><coord>Cs 0.741 0.000 0.500 Cs 0.259 0.500 0.500 Zr 0.000 0.000 0.000 Ag 0.500 0.000 0.000 Ag 0.000 0.500 0.000 Te 0.762 0.343 0.792 Te 0.762 0.657 0.208 Te 0.238 0.135 0.208 Te 0.238 0.865 0.792 <coord>
|
<forme>-0.5<forme><bg>0.0<bg><abc>4.314 4.314 4.314<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Ga2 Ir1<comp><coord>Li 0.500 0.500 0.500 Ga 0.750 0.750 0.750 Ga 0.250 0.250 0.250 Ir 0.000 0.000 0.000 <coord>
|
<forme>-2.52<forme><bg>4.63<bg><abc>6.684 6.770 7.069<abc><angles>89.390 87.816 78.465<angles><comp>Na2 Y2 Cl8<comp><coord>Na 0.232 0.197 0.535 Na 0.768 0.803 0.465 Y 0.789 0.299 0.055 Y 0.211 0.701 0.945 Cl 0.612 0.207 0.365 Cl 0.388 0.793 0.635 Cl 0.096 0.002 0.206 Cl 0.904 0.998 0.794 Cl 0.047 0.503 0.241 Cl 0.953 0.497 0.759 Cl 0.567 0.686 0.118 Cl 0.433 0.314 0.882 <coord>
|
<forme>-3.49<forme><bg>2.74<bg><abc>3.815 5.869 11.506<abc><angles>90.000 90.000 108.969<angles><comp>Ca2 Ti4 O10<comp><coord>Ca 0.902 0.803 0.750 Ca 0.098 0.197 0.250 Ti 0.205 0.410 0.597 Ti 0.795 0.590 0.403 Ti 0.795 0.590 0.097 Ti 0.205 0.410 0.903 O 0.715 0.429 0.250 O 0.285 0.571 0.750 O 0.241 0.482 0.076 O 0.759 0.518 0.924 O 0.759 0.518 0.576 O 0.241 0.482 0.424 O 0.054 0.109 0.621 O 0.946 0.891 0.379 O 0.054 0.109 0.879 O 0.946 0.891 0.121 <coord>
|
<forme>-3.76<forme><bg>3.39<bg><abc>6.394 6.394 6.394<abc><angles>98.714 98.714 98.714<angles><comp>Tm6 W1 O12<comp><coord>Tm 0.611 0.144 0.319 Tm 0.681 0.389 0.856 Tm 0.856 0.681 0.389 Tm 0.144 0.319 0.611 Tm 0.319 0.611 0.144 Tm 0.389 0.856 0.681 W 0.000 0.000 0.000 O 0.964 0.079 0.300 O 0.700 0.036 0.921 O 0.823 0.410 0.570 O 0.430 0.177 0.590 O 0.921 0.700 0.036 O 0.590 0.430 0.177 O 0.410 0.570 0.823 O 0.079 0.300 0.964 O 0.570 0.823 0.410 O 0.177 0.590 0.430 O 0.300 0.964 0.079 O 0.036 0.921 0.700 <coord>
|
<forme>-0.74<forme><bg>0.0<bg><abc>4.426 4.426 4.426<abc><angles>60.000 60.000 60.000<angles><comp>Ti2 Tc1 Pt1<comp><coord>Ti 0.750 0.750 0.750 Ti 0.250 0.250 0.250 Tc 0.000 0.000 0.000 Pt 0.500 0.500 0.500 <coord>
|
<forme>-0.89<forme><bg>0.02<bg><abc>3.100 9.597 9.597<abc><angles>90.000 90.000 90.000<angles><comp>Sc6 B4 Ir10<comp><coord>Sc 0.000 0.175 0.675 Sc 0.000 0.825 0.325 Sc 0.000 0.325 0.175 Sc 0.000 0.675 0.825 Sc 0.000 0.000 0.000 Sc 0.000 0.500 0.500 B 0.000 0.623 0.123 B 0.000 0.377 0.877 B 0.000 0.877 0.623 B 0.000 0.123 0.377 Ir 0.500 0.071 0.222 Ir 0.500 0.929 0.778 Ir 0.500 0.778 0.071 Ir 0.500 0.429 0.722 Ir 0.500 0.222 0.929 Ir 0.500 0.571 0.278 Ir 0.500 0.722 0.571 Ir 0.500 0.278 0.429 Ir 0.500 0.000 0.500 Ir 0.500 0.500 0.000 <coord>
|
<forme>-2.44<forme><bg>1.27<bg><abc>5.152 5.152 5.511<abc><angles>62.135 62.135 60.000<angles><comp>Li1 Os1 F6<comp><coord>Li 0.500 0.500 0.500 Os 0.000 0.000 0.000 F 0.113 0.365 0.761 F 0.365 0.761 0.761 F 0.761 0.113 0.761 F 0.887 0.635 0.239 F 0.635 0.239 0.239 F 0.239 0.887 0.239 <coord>
|
<forme>-0.65<forme><bg>0.0<bg><abc>3.872 5.865 7.109<abc><angles>90.000 90.000 109.270<angles><comp>Ce2 P2 Ru4 C2<comp><coord>Ce 0.047 0.095 0.750 Ce 0.953 0.905 0.250 P 0.771 0.543 0.750 P 0.229 0.457 0.250 Ru 0.667 0.334 0.055 Ru 0.333 0.666 0.945 Ru 0.667 0.334 0.445 Ru 0.333 0.666 0.555 C 0.500 1.000 0.500 C 0.500 1.000 1.000 <coord>
|
<forme>-3.67<forme><bg>4.59<bg><abc>4.974 5.264 7.298<abc><angles>90.000 90.000 90.000<angles><comp>Sc4 Al4 O12<comp><coord>Sc 0.478 0.432 0.750 Sc 0.978 0.068 0.250 Sc 0.022 0.932 0.750 Sc 0.522 0.568 0.250 Al 0.500 0.000 0.000 Al 0.000 0.500 0.000 Al 0.000 0.500 0.500 Al 0.500 0.000 0.500 O 0.192 0.195 0.938 O 0.692 0.305 0.062 O 0.308 0.695 0.562 O 0.808 0.805 0.438 O 0.808 0.805 0.062 O 0.308 0.695 0.938 O 0.692 0.305 0.438 O 0.192 0.195 0.562 O 0.122 0.454 0.250 O 0.622 0.046 0.750 O 0.378 0.954 0.250 O 0.878 0.546 0.750 <coord>
|
<forme>-0.75<forme><bg>0.0<bg><abc>4.203 5.637 9.205<abc><angles>82.572 76.804 68.113<angles><comp>Ho4 Co2 Ge4<comp><coord>Ho 0.813 0.263 0.111 Ho 0.187 0.737 0.889 Ho 0.994 0.680 0.332 Ho 0.006 0.320 0.668 Co 0.725 0.910 0.641 Co 0.275 0.090 0.359 Ge 0.512 0.850 0.125 Ge 0.488 0.150 0.875 Ge 0.653 0.261 0.434 Ge 0.347 0.739 0.566 <coord>
|
<forme>-0.38<forme><bg>0.0<bg><abc>3.841 8.940 8.940<abc><angles>120.000 90.000 90.000<angles><comp>Ho3 Ga6 Co9<comp><coord>Ho 0.000 0.000 0.000 Ho 0.500 0.333 0.667 Ho 0.500 0.667 0.333 Ga 0.500 0.314 0.000 Ga 0.500 0.686 0.686 Ga 0.500 0.000 0.314 Ga 0.500 0.686 0.000 Ga 0.500 0.314 0.314 Ga 0.500 0.000 0.686 Co 0.000 0.500 0.000 Co 0.000 0.500 0.500 Co 1.000 0.000 0.500 Co 0.000 0.183 0.366 Co 0.000 0.183 0.817 Co 0.000 0.634 0.817 Co 1.000 0.817 0.634 Co 0.000 0.366 0.183 Co 0.000 0.817 0.183 <coord>
|
<forme>-0.99<forme><bg>1.35<bg><abc>7.267 7.267 12.091<abc><angles>75.501 75.501 71.139<angles><comp>K4 Sn4 Se10<comp><coord>K 0.905 0.560 0.681 K 0.440 0.095 0.819 K 0.095 0.440 0.319 K 0.560 0.905 0.181 Sn 0.055 0.753 0.942 Sn 0.753 0.055 0.442 Sn 0.945 0.247 0.058 Sn 0.247 0.945 0.558 Se 0.684 0.316 0.250 Se 0.316 0.684 0.750 Se 0.645 0.743 0.464 Se 0.152 0.878 0.380 Se 0.257 0.355 0.036 Se 0.355 0.257 0.536 Se 0.743 0.645 0.964 Se 0.848 0.122 0.620 Se 0.878 0.152 0.880 Se 0.122 0.848 0.120 <coord>
|
<forme>-0.06<forme><bg>0.0<bg><abc>2.644 2.644 7.326<abc><angles>90.000 90.000 90.000<angles><comp>Fe2 Pt1 Rh1<comp><coord>Fe 0.500 0.500 0.744 Fe 0.500 0.500 0.256 Pt 0.000 0.000 0.000 Rh 0.000 0.000 0.500 <coord>
|
<forme>-0.55<forme><bg>0.0<bg><abc>3.496 4.462 4.462<abc><angles>60.000 90.000 90.000<angles><comp>Er1 Al1 Ga1<comp><coord>Er 0.000 0.333 0.333 Al 0.500 0.667 0.667 Ga 0.500 0.000 0.000 <coord>
|
<forme>-0.44<forme><bg>0.0<bg><abc>3.935 4.023 10.572<abc><angles>79.033 90.000 90.000<angles><comp>Er2 Ge6<comp><coord>Er 0.750 0.418 0.164 Er 0.250 0.582 0.836 Ge 0.750 0.811 0.377 Ge 0.250 0.189 0.623 Ge 0.250 0.960 0.081 Ge 0.750 0.040 0.919 Ge 0.250 0.309 0.381 Ge 0.750 0.691 0.619 <coord>
|
<forme>-0.15<forme><bg>0.0<bg><abc>3.631 3.631 7.262<abc><angles>90.000 90.000 90.000<angles><comp>Mn6 Pt1 Rh1<comp><coord>Mn 0.500 0.500 0.000 Mn 0.500 0.500 0.500 Mn 0.500 0.000 0.251 Mn 0.500 0.000 0.749 Mn 0.000 0.500 0.251 Mn 0.000 0.500 0.749 Pt 0.000 0.000 0.000 Rh 0.000 0.000 0.500 <coord>
|
<forme>-2.58<forme><bg>1.85<bg><abc>5.556 5.560 10.702<abc><angles>95.287 95.053 119.876<angles><comp>K1 Mg1 Mn2 Al1 Ge3 O10 F2<comp><coord>K 0.490 0.494 0.975 Mg 0.672 0.331 0.506 Mn 0.995 0.997 0.510 Mn 0.341 0.678 0.510 Al 0.757 0.096 0.776 Ge 0.089 0.757 0.781 Ge 0.244 0.914 0.227 Ge 0.907 0.246 0.227 O 0.016 0.019 0.834 O 0.989 0.993 0.161 O 0.444 0.872 0.833 O 0.875 0.448 0.841 O 0.552 0.116 0.157 O 0.117 0.556 0.161 O 0.704 0.049 0.607 O 0.024 0.689 0.609 O 0.306 0.975 0.393 O 0.957 0.299 0.393 F 0.387 0.366 0.599 F 0.632 0.606 0.401 <coord>
|
<forme>-1.88<forme><bg>2.85<bg><abc>5.732 5.732 5.732<abc><angles>89.420 89.420 89.420<angles><comp>Cs1 Pb1 Cl3<comp><coord>Cs 0.500 0.500 0.500 Pb 0.000 0.000 0.000 Cl 0.500 0.033 0.967 Cl 0.967 0.500 0.033 Cl 0.033 0.967 0.500 <coord>
|
<forme>-0.69<forme><bg>0.35<bg><abc>4.655 4.655 4.655<abc><angles>60.000 60.000 60.000<angles><comp>Th1 Ni1 Sn1<comp><coord>Th 0.750 0.750 0.750 Ni 0.000 0.000 0.000 Sn 0.250 0.250 0.250 <coord>
|
<forme>-2.92<forme><bg>0.0<bg><abc>5.991 5.991 5.991<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 Ca1 Re1 O6<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 Ca 0.000 0.000 0.000 Re 0.500 0.500 0.500 O 0.729 0.271 0.271 O 0.271 0.271 0.729 O 0.729 0.729 0.271 O 0.271 0.729 0.271 O 0.271 0.729 0.729 O 0.729 0.271 0.729 <coord>
|
<forme>-0.4<forme><bg>0.0<bg><abc>5.055 5.055 5.055<abc><angles>60.000 60.000 60.000<angles><comp>Y1 Tm1 Al2<comp><coord>Y 0.000 0.000 0.000 Tm 0.500 0.500 0.500 Al 0.250 0.250 0.250 Al 0.750 0.750 0.750 <coord>
|
<forme>-0.05<forme><bg>0.0<bg><abc>6.643 6.643 6.643<abc><angles>62.032 62.032 62.032<angles><comp>Fe12 Ge3 As2<comp><coord>Fe 0.275 0.976 0.504 Fe 0.976 0.504 0.275 Fe 0.504 0.275 0.976 Fe 0.725 0.496 0.024 Fe 0.496 0.024 0.725 Fe 0.024 0.725 0.496 Fe 0.885 0.885 0.885 Fe 0.115 0.115 0.115 Fe 0.500 0.500 0.500 Fe 0.240 0.760 0.000 Fe 0.760 1.000 0.240 Fe 0.000 0.240 0.760 Ge 0.153 0.500 0.847 Ge 0.500 0.847 0.153 Ge 0.847 0.153 0.500 As 0.354 0.354 0.354 As 0.646 0.646 0.646 <coord>
|
<forme>-0.85<forme><bg>0.0<bg><abc>3.981 5.229 13.076<abc><angles>90.000 90.000 112.372<angles><comp>Sc6 Si6 Ni4<comp><coord>Sc 0.083 0.165 0.112 Sc 0.917 0.835 0.888 Sc 0.917 0.835 0.612 Sc 0.362 0.723 0.250 Sc 0.083 0.165 0.388 Sc 0.638 0.277 0.750 Si 0.340 0.681 0.750 Si 0.660 0.319 0.250 Si 0.384 0.767 0.461 Si 0.616 0.233 0.539 Si 0.616 0.233 0.961 Si 0.384 0.767 0.039 Ni 0.208 0.416 0.596 Ni 0.792 0.584 0.404 Ni 0.208 0.416 0.904 Ni 0.792 0.584 0.096 <coord>
|
<forme>-2.12<forme><bg>3.63<bg><abc>5.722 5.790 7.038<abc><angles>86.115 82.121 60.384<angles><comp>K4 C2 O6<comp><coord>K 0.334 0.333 0.750 K 0.666 0.667 0.250 K 0.000 0.000 0.500 K 0.000 0.000 0.000 C 0.332 0.336 0.250 C 0.668 0.664 0.750 O 0.421 0.793 0.705 O 0.798 0.404 0.750 O 0.202 0.596 0.250 O 0.579 0.207 0.295 O 0.786 0.793 0.795 O 0.214 0.207 0.205 <coord>
|
<forme>-0.62<forme><bg>0.0<bg><abc>4.283 4.283 4.283<abc><angles>60.000 60.000 60.000<angles><comp>Zn1 Ga1 Rh2<comp><coord>Zn 0.000 0.000 0.000 Ga 0.500 0.500 0.500 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750 <coord>
|
<forme>-3.42<forme><bg>7.25<bg><abc>5.818 5.818 5.818<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Li1 Al1 F6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Li 0.500 0.500 0.500 Al 0.000 0.000 0.000 F 0.226 0.774 0.226 F 0.226 0.226 0.774 F 0.774 0.226 0.774 F 0.226 0.774 0.774 F 0.774 0.226 0.226 F 0.774 0.774 0.226 <coord>
|
<forme>-0.38<forme><bg>0.0<bg><abc>4.547 4.547 4.547<abc><angles>60.000 60.000 60.000<angles><comp>Mg2 Ag1 Rh1<comp><coord>Mg 0.250 0.250 0.250 Mg 0.750 0.750 0.750 Ag 0.000 0.000 0.000 Rh 0.500 0.500 0.500 <coord>
|
<forme>-0.18<forme><bg>0.0<bg><abc>3.406 5.905 6.364<abc><angles>90.000 90.000 90.000<angles><comp>Cr2 Mo2 As4<comp><coord>Cr 0.000 0.505 0.437 Cr 0.000 0.005 0.563 Mo 0.500 0.495 0.056 Mo 0.500 0.995 0.944 As 0.500 0.306 0.668 As 0.500 0.806 0.332 As 0.000 0.694 0.812 As 0.000 0.194 0.188 <coord>
|
<forme>-3.28<forme><bg>4.41<bg><abc>5.206 5.206 7.460<abc><angles>110.421 110.421 90.000<angles><comp>Al2 Tl2 F8<comp><coord>Al 0.500 0.500 0.000 Al 0.000 0.000 0.000 Tl 0.750 0.250 0.500 Tl 0.250 0.750 0.500 F 0.638 0.638 0.277 F 0.777 0.277 0.000 F 0.862 0.862 0.723 F 0.362 0.362 0.723 F 0.277 0.223 1.000 F 0.223 0.723 1.000 F 0.723 0.777 0.000 F 0.138 0.138 0.277 <coord>
|
<forme>-3.25<forme><bg>5.03<bg><abc>5.319 6.565 6.565<abc><angles>84.763 77.241 77.241<angles><comp>Na1 Ca1 Mg1 Al1 Si4 O12<comp><coord>Na 0.500 0.300 0.700 Ca 0.000 0.699 0.301 Mg 0.500 0.910 0.090 Al 0.000 0.099 0.901 Si 0.529 0.377 0.194 Si 0.471 0.806 0.623 Si 0.982 0.616 0.804 Si 0.018 0.196 0.384 O 0.439 0.612 0.106 O 0.561 0.894 0.388 O 0.052 0.378 0.895 O 0.948 0.105 0.622 O 0.639 0.192 0.027 O 0.361 0.973 0.808 O 0.903 0.806 0.966 O 0.097 0.034 0.194 O 0.749 0.370 0.343 O 0.251 0.657 0.630 O 0.750 0.643 0.666 O 0.250 0.334 0.357 <coord>
|
<forme>-0.49<forme><bg>0.0<bg><abc>3.823 3.823 6.049<abc><angles>90.000 90.000 120.000<angles><comp>Pm2 H2<comp><coord>Pm 0.333 0.667 0.118 Pm 0.667 0.333 0.618 H 0.333 0.667 0.507 H 0.667 0.333 0.007 <coord>
|
<forme>-0.05<forme><bg>0.0<bg><abc>5.382 6.809 6.809<abc><angles>60.000 90.000 90.000<angles><comp>Ca2 Mg6<comp><coord>Ca 0.750 0.333 0.333 Ca 0.250 0.667 0.667 Mg 0.750 0.840 0.321 Mg 0.750 0.321 0.840 Mg 0.750 0.840 0.840 Mg 0.250 0.160 0.160 Mg 0.250 0.160 0.679 Mg 0.250 0.679 0.160 <coord>
|
<forme>-2.21<forme><bg>0.0<bg><abc>4.630 5.598 7.764<abc><angles>87.074 89.407 89.036<angles><comp>Mn6 O7 F5<comp><coord>Mn 0.466 0.484 0.989 Mn 0.516 0.160 0.334 Mn 0.523 0.827 0.665 Mn 0.993 0.673 0.324 Mn 0.967 0.347 0.676 Mn 0.009 0.009 0.017 O 0.806 0.634 0.549 O 0.812 0.967 0.233 O 0.802 0.290 0.909 O 0.695 0.129 0.567 O 0.307 0.535 0.762 O 0.305 0.199 0.109 O 0.200 0.709 0.102 F 0.712 0.798 0.909 F 0.687 0.471 0.220 F 0.297 0.869 0.434 F 0.197 0.371 0.427 F 0.204 0.028 0.775 <coord>
|
<forme>-0.48<forme><bg>0.0<bg><abc>5.144 7.826 7.826<abc><angles>83.800 70.814 70.814<angles><comp>Ti10 Fe2 Sb4<comp><coord>Ti 0.431 0.268 0.870 Ti 0.569 0.732 0.130 Ti 0.750 0.500 0.500 Ti 0.250 0.500 0.500 Ti 0.301 0.130 0.268 Ti 0.699 0.870 0.732 Ti 0.069 0.130 0.732 Ti 0.801 0.268 0.130 Ti 0.931 0.870 0.268 Ti 0.199 0.732 0.870 Fe 0.750 0.000 1.000 Fe 0.250 0.000 0.000 Sb 0.664 0.172 0.500 Sb 0.836 0.500 0.828 Sb 0.336 0.828 0.500 Sb 0.164 0.500 0.172 <coord>
|
<forme>-0.93<forme><bg>0.0<bg><abc>7.704 7.704 7.704<abc><angles>71.759 71.759 71.759<angles><comp>Nd9 Pt6<comp><coord>Nd 0.000 0.000 0.000 Nd 0.201 0.201 0.201 Nd 0.799 0.799 0.799 Nd 0.394 0.665 0.164 Nd 0.665 0.164 0.394 Nd 0.164 0.394 0.665 Nd 0.606 0.335 0.836 Nd 0.335 0.836 0.606 Nd 0.836 0.606 0.335 Pt 0.042 0.838 0.410 Pt 0.838 0.410 0.042 Pt 0.410 0.042 0.838 Pt 0.958 0.162 0.590 Pt 0.162 0.590 0.958 Pt 0.590 0.958 0.162 <coord>
|
<forme>-1.49<forme><bg>0.0<bg><abc>7.787 7.787 7.787<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Sb1 Br6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Sb 0.500 0.500 0.500 Br 0.746 0.746 0.254 Br 0.254 0.254 0.746 Br 0.254 0.746 0.746 Br 0.746 0.254 0.254 Br 0.746 0.254 0.746 Br 0.254 0.746 0.254 <coord>
|
<forme>-1.65<forme><bg>0.0<bg><abc>2.869 3.554 5.295<abc><angles>102.075 90.000 113.805<angles><comp>Li2 Cu1 O2<comp><coord>Li 0.172 0.344 0.647 Li 0.828 0.656 0.353 Cu 0.500 0.000 0.000 O 0.105 0.211 0.257 O 0.895 0.789 0.743 <coord>
|
<forme>-3.82<forme><bg>0.0<bg><abc>3.796 3.796 6.011<abc><angles>90.000 90.000 120.000<angles><comp>Sm2 O3<comp><coord>Sm 0.333 0.667 0.249 Sm 0.667 0.333 0.751 O 0.333 0.667 0.645 O 0.667 0.333 0.355 O 0.000 0.000 0.000 <coord>
|
<forme>-0.35<forme><bg>0.05<bg><abc>4.623 4.623 10.249<abc><angles>90.000 90.000 120.000<angles><comp>K2 Hg2 As2<comp><coord>K 0.000 0.000 0.000 K 0.000 0.000 0.500 Hg 0.667 0.333 0.250 Hg 0.333 0.667 0.750 As 0.667 0.333 0.750 As 0.333 0.667 0.250 <coord>
|
<forme>-1.53<forme><bg>1.29<bg><abc>5.108 5.108 6.956<abc><angles>90.000 90.000 113.131<angles><comp>Mn2 Se2 O8<comp><coord>Mn 0.000 1.000 0.500 Mn 0.000 0.000 0.000 Se 0.648 0.352 0.750 Se 0.352 0.648 0.250 O 0.753 0.247 0.549 O 0.247 0.753 0.451 O 0.753 0.247 0.951 O 0.247 0.753 0.049 O 0.713 0.776 0.250 O 0.287 0.224 0.750 O 0.224 0.287 0.250 O 0.776 0.713 0.750 <coord>
|
<forme>-0.48<forme><bg>0.0<bg><abc>3.025 5.009 5.009<abc><angles>120.000 90.000 90.000<angles><comp>Tb1 Co3 B2<comp><coord>Tb 0.000 0.000 0.000 Co 0.500 0.500 0.500 Co 0.500 0.000 0.500 Co 0.500 0.500 0.000 B 1.000 0.667 0.333 B 1.000 0.333 0.667 <coord>
|
<forme>-0.53<forme><bg>0.0<bg><abc>5.392 5.392 7.574<abc><angles>90.000 90.000 90.000<angles><comp>Pr2 B8 Rh8<comp><coord>Pr 0.000 0.000 0.000 Pr 0.500 0.500 0.500 B 0.832 0.500 0.152 B 0.168 0.500 0.152 B 0.000 0.332 0.652 B 0.000 0.668 0.652 B 0.668 0.000 0.348 B 0.332 0.000 0.348 B 0.500 0.168 0.848 B 0.500 0.832 0.848 Rh 0.251 0.500 0.857 Rh 0.749 0.500 0.857 Rh 0.000 0.751 0.357 Rh 0.000 0.249 0.357 Rh 0.249 0.000 0.643 Rh 0.751 0.000 0.643 Rh 0.500 0.749 0.143 Rh 0.500 0.251 0.143 <coord>
|
<forme>-0.27<forme><bg>0.0<bg><abc>5.105 5.105 5.105<abc><angles>60.000 60.000 60.000<angles><comp>Ce1 Y1 Zn2<comp><coord>Ce 0.000 0.000 0.000 Y 0.500 0.500 0.500 Zn 0.250 0.250 0.250 Zn 0.750 0.750 0.750 <coord>
|
<forme>0.01<forme><bg>0.0<bg><abc>5.830 7.343 7.343<abc><angles>120.000 90.000 90.000<angles><comp>Pr2 Y6<comp><coord>Pr 0.750 0.333 0.667 Pr 0.250 0.667 0.333 Y 0.750 0.331 0.165 Y 0.750 0.835 0.165 Y 0.250 0.165 0.331 Y 0.250 0.165 0.835 Y 0.250 0.669 0.835 Y 0.750 0.835 0.669 <coord>
|
<forme>-0.78<forme><bg>0.0<bg><abc>4.252 7.266 7.266<abc><angles>90.000 90.000 90.000<angles><comp>Dy4 Mg2 Ge4<comp><coord>Dy 0.500 0.177 0.323 Dy 0.500 0.323 0.823 Dy 0.500 0.677 0.177 Dy 0.500 0.823 0.677 Mg 0.000 0.000 0.000 Mg 0.000 0.500 0.500 Ge 0.000 0.124 0.624 Ge 0.000 0.376 0.124 Ge 0.000 0.624 0.876 Ge 0.000 0.876 0.376 <coord>
|
<forme>-2.18<forme><bg>0.0<bg><abc>5.585 5.592 7.347<abc><angles>89.469 89.500 89.938<angles><comp>V3 Co1 O8<comp><coord>V 0.990 0.936 0.121 V 0.502 0.568 0.627 V 0.003 0.433 0.375 Co 0.492 0.068 0.877 O 0.695 0.965 0.074 O 0.550 0.860 0.673 O 0.064 0.631 0.185 O 0.196 0.521 0.558 O 0.693 0.472 0.443 O 0.553 0.400 0.816 O 0.056 0.125 0.311 O 0.157 0.022 0.939 <coord>
|
<forme>-1.53<forme><bg>2.23<bg><abc>5.136 5.136 10.005<abc><angles>90.000 90.000 90.000<angles><comp>Cs2 Ag2 Cl4<comp><coord>Cs 0.500 0.000 0.701 Cs 0.000 0.500 0.299 Ag 0.000 0.500 0.901 Ag 0.500 0.000 0.099 Cl 0.000 0.500 0.647 Cl 0.500 0.000 0.353 Cl 0.500 0.500 0.000 Cl 0.000 0.000 0.000 <coord>
|
<forme>-0.7<forme><bg>0.0<bg><abc>4.664 4.664 4.664<abc><angles>60.000 60.000 60.000<angles><comp>Tb1 Mg1 Rh2<comp><coord>Tb 0.000 0.000 0.000 Mg 0.500 0.500 0.500 Rh 0.750 0.750 0.750 Rh 0.250 0.250 0.250 <coord>
|
<forme>-1.49<forme><bg>0.0<bg><abc>4.355 4.355 4.355<abc><angles>60.000 60.000 60.000<angles><comp>Dy1 Te1<comp><coord>Dy 0.000 0.000 0.000 Te 0.500 0.500 0.500 <coord>
|
<forme>-0.42<forme><bg>0.0<bg><abc>5.599 5.599 5.599<abc><angles>60.000 60.000 60.000<angles><comp>Yb1 Y1 Al4<comp><coord>Yb 0.000 0.000 0.000 Y 0.750 0.750 0.750 Al 0.375 0.875 0.375 Al 0.375 0.375 0.375 Al 0.375 0.375 0.875 Al 0.875 0.375 0.375 <coord>
|
<forme>-1.14<forme><bg>5.43<bg><abc>4.597 4.597 4.597<abc><angles>83.968 83.968 83.968<angles><comp>Rb1 Cl1 O3<comp><coord>Rb 0.025 0.025 0.025 Cl 0.511 0.511 0.511 O 0.578 0.184 0.578 O 0.578 0.578 0.184 O 0.184 0.578 0.578 <coord>
|
<forme>-3.61<forme><bg>3.56<bg><abc>5.420 7.108 7.108<abc><angles>102.858 90.000 90.000<angles><comp>Ho6 Ga2 O12<comp><coord>Ho 0.072 0.602 0.398 Ho 0.572 0.398 0.602 Ho 0.024 0.088 0.299 Ho 0.524 0.912 0.701 Ho 0.024 0.701 0.912 Ho 0.524 0.299 0.088 Ga 0.494 0.807 0.193 Ga 0.994 0.193 0.807 O 0.833 0.785 0.215 O 0.333 0.215 0.785 O 0.348 0.961 0.039 O 0.848 0.039 0.961 O 0.298 0.323 0.357 O 0.798 0.677 0.643 O 0.298 0.643 0.677 O 0.798 0.357 0.323 O 0.813 0.423 0.894 O 0.313 0.577 0.106 O 0.813 0.106 0.577 O 0.313 0.894 0.423 <coord>
|
<forme>-0.32<forme><bg>0.11<bg><abc>5.049 5.049 5.049<abc><angles>60.000 60.000 60.000<angles><comp>Li2 La1 In1<comp><coord>Li 0.250 0.250 0.250 Li 0.750 0.750 0.750 La 0.500 0.500 0.500 In 0.000 0.000 0.000 <coord>
|
<forme>-1.1<forme><bg>1.7<bg><abc>6.760 6.760 10.150<abc><angles>73.796 73.796 61.963<angles><comp>Tl2 Hg2 Pd1 Cl8<comp><coord>Tl 0.603 0.603 0.158 Tl 0.397 0.397 0.842 Hg 0.866 0.866 0.400 Hg 0.134 0.134 0.600 Pd 0.000 0.000 0.000 Cl 0.102 0.631 0.126 Cl 0.631 0.102 0.126 Cl 0.653 0.653 0.502 Cl 0.898 0.369 0.874 Cl 0.080 0.080 0.309 Cl 0.347 0.347 0.498 Cl 0.369 0.898 0.874 Cl 0.920 0.920 0.691 <coord>
|
<forme>-0.45<forme><bg>0.0<bg><abc>2.946 2.946 4.600<abc><angles>90.000 90.000 90.000<angles><comp>Ti2 H2<comp><coord>Ti 0.500 0.000 0.500 Ti 0.000 0.500 0.000 H 0.000 0.000 0.250 H 0.000 0.000 0.750 <coord>
|
<forme>-0.05<forme><bg>0.0<bg><abc>3.812 3.812 5.872<abc><angles>90.000 90.000 120.000<angles><comp>Cr2 Sb1 As1<comp><coord>Cr 0.000 0.000 0.266 Cr 0.000 0.000 0.734 Sb 0.667 0.333 0.000 As 0.333 0.667 0.500 <coord>
|
<forme>-2.91<forme><bg>2.24<bg><abc>5.130 5.203 6.062<abc><angles>90.000 90.000 111.864<angles><comp>Li4 Mn1 F8<comp><coord>Li 0.000 0.500 0.191 Li 0.500 0.500 0.991 Li 0.500 0.000 0.791 Li 0.500 0.000 0.234 Mn 0.500 0.500 0.504 F 0.293 0.724 0.491 F 0.295 0.740 0.019 F 0.290 0.272 0.721 F 0.269 0.282 0.282 F 0.710 0.728 0.721 F 0.731 0.718 0.282 F 0.705 0.260 0.019 F 0.707 0.276 0.491 <coord>
|
<forme>-0.35<forme><bg>1.37<bg><abc>7.092 7.092 7.092<abc><angles>101.077 101.077 101.077<angles><comp>Ag6 Sb2 S6<comp><coord>Ag 0.957 0.742 0.413 Ag 0.742 0.413 0.957 Ag 0.242 0.457 0.913 Ag 0.913 0.242 0.457 Ag 0.413 0.957 0.742 Ag 0.457 0.913 0.242 Sb 0.501 0.501 0.501 Sb 0.001 0.001 0.001 S 0.754 0.760 0.099 S 0.099 0.754 0.760 S 0.254 0.599 0.260 S 0.260 0.254 0.599 S 0.760 0.099 0.754 S 0.599 0.260 0.254 <coord>
|
<forme>-1.95<forme><bg>1.28<bg><abc>6.061 6.061 6.101<abc><angles>61.016 61.016 60.563<angles><comp>Li4 Fe3 Sb1 O8<comp><coord>Li 0.500 0.500 0.000 Li 0.500 0.000 0.500 Li 0.000 0.000 0.000 Li 0.000 0.500 0.500 Fe 0.000 0.500 0.000 Fe 0.500 0.500 0.500 Fe 0.500 0.000 0.000 Sb 0.000 0.000 0.500 O 0.733 0.733 0.250 O 0.762 0.246 0.727 O 0.231 0.231 0.272 O 0.267 0.267 0.750 O 0.246 0.762 0.727 O 0.238 0.754 0.273 O 0.769 0.769 0.728 O 0.754 0.238 0.273 <coord>
|
<forme>-3.01<forme><bg>0.0<bg><abc>6.027 6.067 6.027<abc><angles>60.214 90.000 119.786<angles><comp>Ba2 Gd1 Mo1 O6<comp><coord>Ba 0.250 0.500 0.250 Ba 0.750 0.500 0.750 Gd 0.000 0.000 0.000 Mo 0.500 0.000 0.500 O 0.263 0.526 0.737 O 0.737 0.474 0.263 O 0.242 0.000 0.295 O 0.758 1.000 0.705 O 0.705 0.000 0.242 O 0.295 1.000 0.758 <coord>
|
<forme>-3.03<forme><bg>0.0<bg><abc>5.755 5.755 5.755<abc><angles>60.000 60.000 60.000<angles><comp>K1 Eu1 Nb2 O6<comp><coord>K 0.000 0.000 0.000 Eu 0.500 0.500 0.500 Nb 0.750 0.750 0.750 Nb 0.250 0.250 0.250 O 0.500 0.500 0.000 O 0.000 1.000 0.500 O 0.000 0.500 0.000 O 0.500 1.000 0.500 O 0.500 1.000 0.000 O 0.000 0.500 0.500 <coord>
|
<forme>-0.63<forme><bg>0.0<bg><abc>4.545 4.545 4.545<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Mg2 Pt1<comp><coord>Li 0.500 0.500 0.500 Mg 0.750 0.750 0.750 Mg 0.250 0.250 0.250 Pt 0.000 0.000 0.000 <coord>
|
<forme>-2.4<forme><bg>0.85<bg><abc>5.872 5.950 5.960<abc><angles>90.907 119.478 119.135<angles><comp>Li3 V2 Cr2 O8<comp><coord>Li 0.500 0.000 0.000 Li 0.000 0.000 0.500 Li 0.000 0.500 0.500 V 0.000 0.500 0.000 V 0.500 0.500 0.500 Cr 0.500 0.500 0.000 Cr 0.000 0.000 0.000 O 0.519 0.733 0.764 O 0.463 0.715 0.230 O 0.977 0.737 0.218 O 0.999 0.744 0.767 O 0.001 0.256 0.233 O 0.023 0.263 0.782 O 0.537 0.285 0.770 O 0.481 0.267 0.236 <coord>
|
<forme>-1.65<forme><bg>3.64<bg><abc>5.777 5.804 10.626<abc><angles>90.000 90.000 90.000<angles><comp>I4 O4 F12<comp><coord>I 0.178 0.070 0.099 I 0.678 0.430 0.901 I 0.822 0.570 0.401 I 0.322 0.930 0.599 O 0.325 0.308 0.031 O 0.175 0.692 0.531 O 0.675 0.808 0.469 O 0.825 0.192 0.969 F 0.356 0.847 0.001 F 0.104 0.997 0.726 F 0.144 0.153 0.501 F 0.540 0.230 0.770 F 0.960 0.770 0.270 F 0.460 0.730 0.730 F 0.896 0.497 0.774 F 0.856 0.653 0.999 F 0.040 0.270 0.230 F 0.604 0.503 0.274 F 0.644 0.347 0.499 F 0.396 0.003 0.226 <coord>
|
<forme>-0.49<forme><bg>0.0<bg><abc>6.501 10.175 10.175<abc><angles>119.651 90.000 90.000<angles><comp>Nd14 Pd6<comp><coord>Nd 0.451 0.333 0.667 Nd 0.951 0.667 0.333 Nd 0.245 0.127 0.873 Nd 0.244 0.747 0.873 Nd 0.244 0.127 0.253 Nd 0.745 0.873 0.127 Nd 0.744 0.253 0.127 Nd 0.744 0.873 0.747 Nd 0.446 0.538 0.462 Nd 0.445 0.923 0.462 Nd 0.445 0.538 0.077 Nd 0.946 0.462 0.538 Nd 0.945 0.077 0.538 Nd 0.945 0.462 0.923 Pd 0.191 0.811 0.189 Pd 0.191 0.378 0.189 Pd 0.191 0.811 0.622 Pd 0.691 0.189 0.811 Pd 0.691 0.622 0.811 Pd 0.691 0.189 0.378 <coord>
|
<forme>-0.48<forme><bg>0.0<bg><abc>3.185 4.529 4.529<abc><angles>60.696 69.413 69.413<angles><comp>Ni1 B2 Mo2<comp><coord>Ni 0.000 0.000 0.000 B 0.500 0.702 0.298 B 0.500 0.298 0.702 Mo 0.199 0.301 0.301 Mo 0.801 0.699 0.699 <coord>
|
<forme>-0.29<forme><bg>0.0<bg><abc>4.719 4.719 4.719<abc><angles>60.000 60.000 60.000<angles><comp>Ti1 In1 Au2<comp><coord>Ti 0.500 0.500 0.500 In 0.000 0.000 0.000 Au 0.750 0.750 0.750 Au 0.250 0.250 0.250 <coord>
|
<forme>-2.34<forme><bg>0.2<bg><abc>4.742 5.338 5.555<abc><angles>116.551 90.000 90.000<angles><comp>Mn2 F8<comp><coord>Mn 0.500 0.500 1.000 Mn 0.000 0.000 0.000 F 0.277 0.834 0.134 F 0.223 0.334 0.134 F 0.673 0.631 0.313 F 0.827 0.131 0.313 F 0.173 0.869 0.687 F 0.327 0.369 0.687 F 0.777 0.666 0.866 F 0.723 0.166 0.866 <coord>
|
<forme>-0.51<forme><bg>0.77<bg><abc>5.401 5.401 5.401<abc><angles>60.000 60.000 60.000<angles><comp>Ca2 Pb1<comp><coord>Ca 0.250 0.250 0.250 Ca 0.750 0.750 0.750 Pb 0.000 0.000 0.000 <coord>
|
<forme>-1.02<forme><bg>0.0<bg><abc>8.126 8.126 8.126<abc><angles>109.471 109.471 109.471<angles><comp>Rb8 O12<comp><coord>Rb 0.898 0.898 0.398 Rb 1.000 0.500 0.602 Rb 0.500 0.102 0.500 Rb 0.102 0.000 0.000 Rb 0.500 0.602 0.500 Rb 0.602 1.000 0.000 Rb 1.000 0.500 0.102 Rb 0.398 0.398 0.898 O 0.700 0.450 0.250 O 0.300 0.750 0.050 O 0.200 0.250 0.450 O 0.250 0.950 0.700 O 0.750 0.550 0.800 O 0.550 0.300 0.250 O 0.250 0.800 0.550 O 0.050 0.250 0.300 O 0.750 0.700 0.950 O 0.450 0.750 0.200 O 0.800 0.050 0.750 O 0.950 0.200 0.750 <coord>
|
<forme>-1.49<forme><bg>0.39<bg><abc>9.757 9.757 9.757<abc><angles>106.903 106.903 106.903<angles><comp>Er7 Ir1 I12<comp><coord>Er 0.977 0.907 0.706 Er 0.907 0.706 0.977 Er 0.706 0.977 0.907 Er 0.023 0.093 0.294 Er 0.093 0.294 0.023 Er 0.294 0.023 0.093 Er 0.500 0.500 0.500 Ir 0.000 0.000 0.000 I 0.325 0.930 0.775 I 0.930 0.775 0.325 I 0.775 0.325 0.930 I 0.675 0.070 0.225 I 0.070 0.225 0.675 I 0.225 0.675 0.070 I 0.837 0.535 0.611 I 0.535 0.611 0.837 I 0.611 0.837 0.535 I 0.163 0.465 0.389 I 0.465 0.389 0.163 I 0.389 0.163 0.465 <coord>
|
<forme>-0.67<forme><bg>0.65<bg><abc>6.396 6.408 7.076<abc><angles>116.125 90.000 119.940<angles><comp>Cu4 Si2 S6<comp><coord>Cu 0.833 0.826 0.498 Cu 0.160 0.492 0.492 Cu 0.992 0.826 0.998 Cu 0.333 0.492 0.992 Si 0.510 0.190 0.512 Si 0.680 0.190 0.012 S 0.703 0.569 0.126 S 0.024 0.241 0.112 S 0.390 0.933 0.134 S 0.866 0.569 0.626 S 0.217 0.241 0.612 S 0.543 0.933 0.634 <coord>
|
<forme>-2.08<forme><bg>1.98<bg><abc>5.670 5.670 7.353<abc><angles>104.941 104.941 105.407<angles><comp>Na2 Ge2 Sb2 O10<comp><coord>Na 0.667 0.333 0.750 Na 0.333 0.667 0.250 Ge 0.686 0.314 0.250 Ge 0.314 0.686 0.750 Sb 0.000 0.000 0.500 Sb 0.000 0.000 0.000 O 0.921 0.079 0.750 O 0.079 0.921 0.250 O 0.689 0.095 0.385 O 0.905 0.311 0.115 O 0.311 0.905 0.615 O 0.095 0.689 0.885 O 0.246 0.370 0.580 O 0.630 0.754 0.920 O 0.754 0.630 0.420 O 0.370 0.246 0.080 <coord>
|
<forme>-0.7<forme><bg>0.0<bg><abc>4.066 4.066 16.559<abc><angles>82.948 82.948 60.000<angles><comp>Mn2 In2 Se5<comp><coord>Mn 0.301 0.301 0.097 Mn 0.699 0.699 0.903 In 0.444 0.444 0.668 In 0.556 0.556 0.332 Se 0.864 0.864 0.409 Se 0.136 0.136 0.591 Se 0.608 0.608 0.175 Se 0.392 0.392 0.825 Se 0.000 0.000 0.000 <coord>
|
<forme>-0.46<forme><bg>0.0<bg><abc>4.629 4.629 5.622<abc><angles>90.000 90.000 120.000<angles><comp>In3 Pt2<comp><coord>In 0.000 0.000 0.000 In 0.333 0.667 0.649 In 0.667 0.333 0.351 Pt 0.333 0.667 0.159 Pt 0.667 0.333 0.841 <coord>
|
<forme>-0.42<forme><bg>0.0<bg><abc>3.755 4.230 10.210<abc><angles>90.000 90.000 90.000<angles><comp>Gd3 Er1 Ni4<comp><coord>Gd 0.000 0.750 0.862 Gd 0.000 0.250 0.143 Gd 0.500 0.250 0.636 Er 0.500 0.750 0.363 Ni 0.500 0.750 0.074 Ni 0.000 0.750 0.568 Ni 0.000 0.250 0.427 Ni 0.500 0.250 0.929 <coord>
|
<forme>-3.02<forme><bg>0.13<bg><abc>5.800 6.099 8.407<abc><angles>89.899 89.986 89.997<angles><comp>Sr2 Ce2 Eu2 Sb2 O12<comp><coord>Sr 0.985 0.057 0.247 Sr 0.015 0.943 0.753 Ce 0.000 0.500 0.000 Ce 0.500 0.000 0.500 Eu 0.519 0.561 0.249 Eu 0.481 0.439 0.751 Sb 0.500 0.000 0.000 Sb 0.000 0.500 0.500 O 0.189 0.197 0.943 O 0.286 0.680 0.556 O 0.811 0.803 0.057 O 0.714 0.320 0.444 O 0.318 0.689 0.937 O 0.180 0.222 0.557 O 0.682 0.311 0.063 O 0.820 0.778 0.443 O 0.392 0.953 0.254 O 0.114 0.466 0.271 O 0.608 0.047 0.746 O 0.886 0.534 0.729 <coord>
|
<forme>-0.75<forme><bg>0.0<bg><abc>4.729 4.729 4.729<abc><angles>90.000 90.000 90.000<angles><comp>Si4 Rh4<comp><coord>Si 0.158 0.342 0.658 Si 0.342 0.658 0.158 Si 0.658 0.158 0.342 Si 0.842 0.842 0.842 Rh 0.848 0.652 0.348 Rh 0.652 0.348 0.848 Rh 0.348 0.848 0.652 Rh 0.152 0.152 0.152 <coord>
|
<forme>-2.96<forme><bg>0.0<bg><abc>5.697 5.697 5.697<abc><angles>60.000 60.000 60.000<angles><comp>Sr2 Mn1 Nb1 O6<comp><coord>Sr 0.750 0.750 0.750 Sr 0.250 0.250 0.250 Mn 0.000 0.000 0.000 Nb 0.500 0.500 0.500 O 0.251 0.749 0.251 O 0.749 0.251 0.251 O 0.749 0.749 0.251 O 0.749 0.251 0.749 O 0.251 0.749 0.749 O 0.251 0.251 0.749 <coord>
|
<forme>-0.77<forme><bg>0.0<bg><abc>3.871 7.787 7.787<abc><angles>90.000 90.000 90.000<angles><comp>Sm4 Cd2 Pd4<comp><coord>Sm 0.500 0.327 0.827 Sm 0.500 0.827 0.673 Sm 0.500 0.173 0.327 Sm 0.500 0.673 0.173 Cd 0.000 0.000 0.000 Cd 0.000 0.500 0.500 Pd 1.000 0.372 0.128 Pd 1.000 0.872 0.372 Pd 0.000 0.128 0.628 Pd 1.000 0.628 0.872 <coord>
|
<forme>-1.52<forme><bg>0.0<bg><abc>7.285 7.285 7.285<abc><angles>60.000 60.000 60.000<angles><comp>K2 Tl1 Cu1 Cl6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 Tl 0.000 0.000 0.000 Cu 0.500 0.500 0.500 Cl 0.263 0.737 0.263 Cl 0.263 0.263 0.737 Cl 0.737 0.263 0.737 Cl 0.263 0.737 0.737 Cl 0.737 0.263 0.263 Cl 0.737 0.737 0.263 <coord>
|
<forme>-0.48<forme><bg>0.0<bg><abc>4.656 4.656 4.656<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Mg2 Au1<comp><coord>Li 0.000 0.000 0.000 Mg 0.750 0.750 0.750 Mg 0.250 0.250 0.250 Au 0.500 0.500 0.500 <coord>
|
<forme>-0.03<forme><bg>0.0<bg><abc>3.110 6.138 7.229<abc><angles>103.010 90.000 104.676<angles><comp>Mg5 Ga1<comp><coord>Mg 0.998 0.996 0.004 Mg 0.669 0.338 0.332 Mg 0.053 0.106 0.606 Mg 0.333 0.666 0.664 Mg 0.724 0.448 0.948 Ga 0.390 0.780 0.280 <coord>
|
<forme>-3.42<forme><bg>4.61<bg><abc>2.941 5.671 6.142<abc><angles>103.613 103.853 90.000<angles><comp>Al4 O6<comp><coord>Al 0.090 0.796 0.180 Al 0.910 0.204 0.820 Al 0.342 0.683 0.684 Al 0.658 0.317 0.316 O 0.160 0.109 0.320 O 0.840 0.891 0.680 O 0.495 0.257 0.990 O 0.505 0.743 0.010 O 0.826 0.433 0.653 O 0.174 0.567 0.347 <coord>
|
<forme>-1.06<forme><bg>0.0<bg><abc>4.473 7.043 7.812<abc><angles>90.000 90.000 90.000<angles><comp>Sm4 Ga4 Pt4<comp><coord>Sm 0.250 0.985 0.301 Sm 0.250 0.485 0.199 Sm 0.750 0.015 0.699 Sm 0.750 0.515 0.801 Ga 0.250 0.328 0.573 Ga 0.250 0.828 0.927 Ga 0.750 0.672 0.427 Ga 0.750 0.172 0.073 Pt 0.250 0.223 0.902 Pt 0.250 0.723 0.598 Pt 0.750 0.777 0.098 Pt 0.750 0.277 0.402 <coord>
|
<forme>-1.25<forme><bg>2.44<bg><abc>5.234 5.234 5.234<abc><angles>82.670 64.138 115.862<angles><comp>Ca2 Be4 N4<comp><coord>Ca 1.000 0.250 0.750 Ca 0.000 0.750 0.250 Be 0.753 0.126 0.374 Be 0.500 0.626 0.126 Be 0.247 0.874 0.626 Be 0.500 0.374 0.874 N 0.500 0.169 0.669 N 0.839 0.669 0.831 N 0.161 0.331 0.169 N 0.500 0.831 0.331 <coord>
|
<forme>0.04<forme><bg>0.0<bg><abc>4.571 4.571 9.257<abc><angles>90.000 90.000 90.000<angles><comp>U2 Cu2 Bi4<comp><coord>U 0.000 0.500 0.725 U 0.500 0.000 0.275 Cu 0.500 0.500 0.500 Cu 0.000 0.000 0.500 Bi 0.500 0.500 0.000 Bi 0.000 0.000 0.000 Bi 0.000 0.500 0.320 Bi 0.500 0.000 0.680 <coord>
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.