text stringlengths 140 560 |
|---|
<forme>-2.3<forme><bg>0.0<bg><abc>5.439 5.629 7.818<abc><angles>90.000 90.512 90.000<angles><comp>Na4 Cu4 F12<comp><coord>Na 0.484 0.444 0.754 Na 0.516 0.556 0.246 Na 0.016 0.944 0.746 Na 0.984 0.056 0.254 Cu 0.500 0.000 0.000 Cu 0.000 0.500 0.000 Cu 0.500 0.000 0.500 Cu 0.000 0.500 0.500 F 0.301 0.709 0.949 F 0.699 0.291 0.051 F 0.796 0.795 0.058 F 0.204 0.205 0.942 F 0.296 0.705 0.558 F 0.704 0.295 0.442 F 0.801 0.791 0.449 F 0.199 0.209 0.551 F 0.599 0.034 0.746 F 0.401 0.966 0.254 F 0.901 0.534 0.754 F 0.099 0.466 0.246 <coord> |
<forme>-1.1<forme><bg>0.0<bg><abc>3.511 5.916 7.637<abc><angles>89.677 90.000 90.000<angles><comp>K1 Cr2 S4<comp><coord>K 0.000 0.500 0.000 Cr 0.500 0.000 0.500 Cr 0.000 0.500 0.500 S 0.000 0.837 0.327 S 0.500 0.336 0.326 S 0.500 0.664 0.674 S 0.000 0.163 0.673 <coord> |
<forme>-0.58<forme><bg>1.36<bg><abc>6.351 6.477 7.030<abc><angles>65.998 69.250 88.806<angles><comp>Tl2 Sb2 S4<comp><coord>Tl 0.871 0.614 0.744 Tl 0.129 0.386 0.256 Sb 0.409 0.086 0.751 Sb 0.591 0.914 0.249 S 0.782 0.092 0.790 S 0.218 0.908 0.210 S 0.371 0.721 0.730 S 0.629 0.279 0.270 <coord> |
<forme>-0.48<forme><bg>0.0<bg><abc>5.117 5.117 8.144<abc><angles>90.000 90.000 118.973<angles><comp>Sc4 Al4 Co4<comp><coord>Sc 0.333 0.667 0.705 Sc 0.671 0.329 0.827 Sc 0.671 0.329 0.173 Sc 0.333 0.667 0.295 Al 0.994 0.006 0.769 Al 0.994 0.006 0.231 Al 0.834 0.657 0.500 Al 0.343 0.166 0.500 Co 0.834 0.166 0.500 Co 0.177 0.358 0.000 Co 0.642 0.823 0.000 Co 0.174 0.826 1.000 <coord> |
<forme>-3.56<forme><bg>1.95<bg><abc>4.058 4.058 8.283<abc><angles>90.000 90.000 90.000<angles><comp>Sr2 Zr1 Ti1 O6<comp><coord>Sr 0.500 0.500 0.034 Sr 0.500 0.500 0.498 Zr 0.000 0.000 0.752 Ti 0.000 0.000 0.254 O 0.500 0.000 0.238 O 0.000 0.500 0.238 O 0.500 0.000 0.714 O 0.000 0.500 0.714 O 0.000 0.000 0.998 O 0.000 0.000 0.474 <coord> |
<forme>-2.13<forme><bg>4.01<bg><abc>4.927 4.927 8.830<abc><angles>90.000 90.000 120.000<angles><comp>Cs1 Ga1 S2 O8<comp><coord>Cs 0.000 0.000 0.500 Ga 0.000 0.000 0.000 S 0.667 0.333 0.801 S 0.333 0.667 0.199 O 0.911 0.262 0.857 O 0.351 0.089 0.857 O 0.649 0.738 0.143 O 0.738 0.649 0.857 O 0.262 0.911 0.143 O 0.089 0.351 0.143 O 0.667 0.333 0.635 O 0.333 0.667 0.365 <coord> |
<forme>-2.5<forme><bg>5.34<bg><abc>7.677 7.677 7.677<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Na1 Ho1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Na 0.500 0.500 0.500 Ho 0.000 0.000 0.000 Cl 0.242 0.242 0.758 Cl 0.758 0.242 0.758 Cl 0.242 0.758 0.242 Cl 0.242 0.758 0.758 Cl 0.758 0.242 0.242 Cl 0.758 0.758 0.242 <coord> |
<forme>0.02<forme><bg>1.47<bg><abc>6.074 6.483 6.247<abc><angles>90.000 66.508 90.000<angles><comp>Hg6<comp><coord>Hg 0.000 0.000 0.000 Hg 0.000 0.500 0.500 Hg 0.417 0.643 0.740 Hg 0.583 0.143 0.760 Hg 0.583 0.357 0.260 Hg 0.417 0.857 0.240 <coord> |
<forme>-2.15<forme><bg>0.79<bg><abc>3.772 6.357 6.463<abc><angles>106.136 90.000 107.258<angles><comp>V3 Ni1 O8<comp><coord>V 0.400 0.799 0.282 V 0.600 0.201 0.724 V 0.294 0.589 0.699 Ni 0.705 0.409 0.307 O 0.132 0.263 0.690 O 0.251 0.502 0.372 O 0.358 0.716 0.989 O 0.448 0.896 0.641 O 0.547 0.093 0.352 O 0.634 0.268 0.990 O 0.756 0.512 0.662 O 0.875 0.750 0.292 <coord> |
<forme>-0.7<forme><bg>0.0<bg><abc>4.890 4.890 4.890<abc><angles>60.000 60.000 60.000<angles><comp>Tb1 Pd2 Pb1<comp><coord>Tb 0.500 0.500 0.500 Pd 0.750 0.750 0.750 Pd 0.250 0.250 0.250 Pb 0.000 0.000 0.000 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>3.333 4.504 6.816<abc><angles>109.292 104.151 90.000<angles><comp>Sc3 Ru1 C4<comp><coord>Sc 0.189 0.189 0.379 Sc 0.811 0.811 0.621 Sc 0.000 0.500 0.000 Ru 0.500 0.000 0.000 C 0.371 0.212 0.742 C 0.629 0.788 0.258 C 0.629 0.470 0.258 C 0.371 0.530 0.742 <coord> |
<forme>-0.42<forme><bg>0.0<bg><abc>5.712 5.712 5.712<abc><angles>60.000 60.000 60.000<angles><comp>Sr2 Cd1 Hg1<comp><coord>Sr 0.250 0.250 0.250 Sr 0.750 0.750 0.750 Cd 0.500 0.500 0.500 Hg 0.000 0.000 0.000 <coord> |
<forme>-0.57<forme><bg>0.0<bg><abc>4.344 4.344 10.859<abc><angles>90.000 90.000 90.000<angles><comp>La2 Al6 Cu1 Au1<comp><coord>La 0.000 0.000 0.997 La 0.500 0.500 0.490 Al 0.500 0.000 0.244 Al 0.000 0.500 0.755 Al 0.000 0.500 0.244 Al 0.500 0.000 0.755 Al 0.000 0.000 0.395 Al 0.500 0.500 0.907 Cu 0.500 0.500 0.131 Au 0.000 0.000 0.628 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>4.328 4.328 4.328<abc><angles>60.000 60.000 60.000<angles><comp>Zr1 Ga1 Ni2<comp><coord>Zr 0.500 0.500 0.500 Ga 0.000 0.000 0.000 Ni 0.250 0.250 0.250 Ni 0.750 0.750 0.750 <coord> |
<forme>-3.5<forme><bg>6.39<bg><abc>4.008 4.008 7.995<abc><angles>90.000 90.000 90.000<angles><comp>K1 Na1 Mg2 F6<comp><coord>K 0.500 0.500 0.500 Na 0.500 0.500 0.000 Mg 0.000 0.000 0.247 Mg 0.000 0.000 0.753 F 0.500 0.000 0.244 F 0.500 0.000 0.756 F 0.000 0.500 0.756 F 0.000 0.500 0.244 F 0.000 0.000 0.000 F 0.000 0.000 0.500 <coord> |
<forme>-1.6<forme><bg>2.24<bg><abc>4.521 4.846 4.846<abc><angles>120.000 90.000 90.000<angles><comp>As2 Ni1 O6<comp><coord>As 0.500 0.667 0.333 As 0.500 0.333 0.667 Ni 0.000 0.000 0.000 O 0.273 0.638 0.000 O 0.273 0.362 0.362 O 0.273 1.000 0.638 O 0.727 0.638 0.638 O 0.727 1.000 0.362 O 0.727 0.362 0.000 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>4.920 4.920 4.920<abc><angles>60.000 60.000 60.000<angles><comp>Gd1 Y1 Cu2<comp><coord>Gd 0.500 0.500 0.500 Y 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>4.970 4.970 4.970<abc><angles>60.000 60.000 60.000<angles><comp>Th1 Mg1 Zn2<comp><coord>Th 0.000 0.000 0.000 Mg 0.500 0.500 0.500 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 <coord> |
<forme>-0.77<forme><bg>0.68<bg><abc>4.347 4.347 14.176<abc><angles>81.180 81.180 60.000<angles><comp>Cd1 Pb3 Se4<comp><coord>Cd 0.000 0.000 0.000 Pb 0.254 0.254 0.238 Pb 0.500 0.500 0.500 Pb 0.746 0.746 0.762 Se 0.124 0.124 0.629 Se 0.370 0.370 0.890 Se 0.630 0.630 0.110 Se 0.876 0.876 0.371 <coord> |
<forme>-0.72<forme><bg>0.0<bg><abc>3.030 5.751 11.504<abc><angles>89.992 90.000 90.000<angles><comp>V11 Re1 B8<comp><coord>V 0.500 0.827 0.091 V 0.500 0.822 0.588 V 0.500 0.173 0.909 V 0.500 0.178 0.412 V 0.500 0.680 0.836 V 0.500 0.678 0.339 V 0.500 0.320 0.164 V 0.500 0.322 0.661 V 0.000 0.500 0.500 V 0.000 0.000 0.749 V 0.000 1.000 0.251 Re 0.000 0.500 0.000 B 0.000 0.388 0.805 B 0.000 0.388 0.307 B 0.000 0.612 0.195 B 0.000 0.612 0.693 B 0.000 0.111 0.056 B 0.000 0.111 0.555 B 0.000 0.889 0.944 B 0.000 0.889 0.445 <coord> |
<forme>-0.62<forme><bg>0.0<bg><abc>4.387 7.375 7.375<abc><angles>90.000 90.000 90.000<angles><comp>Yb4 Sn2 Ge4<comp><coord>Yb 0.500 0.676 0.176 Yb 0.500 0.324 0.824 Yb 0.500 0.176 0.324 Yb 0.500 0.824 0.676 Sn 0.000 0.500 0.500 Sn 0.000 0.000 0.000 Ge 0.000 0.120 0.620 Ge 0.000 0.880 0.380 Ge 0.000 0.620 0.880 Ge 0.000 0.380 0.120 <coord> |
<forme>-0.25<forme><bg>0.0<bg><abc>4.888 4.888 4.888<abc><angles>60.000 60.000 60.000<angles><comp>Y1 Ho1 Cu2<comp><coord>Y 0.000 0.000 0.000 Ho 0.500 0.500 0.500 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750 <coord> |
<forme>-0.01<forme><bg>0.0<bg><abc>4.109 4.109 4.380<abc><angles>62.026 62.026 60.000<angles><comp>Sb1 As1<comp><coord>Sb 0.230 0.230 0.309 As 0.770 0.770 0.691 <coord> |
<forme>-0.95<forme><bg>0.95<bg><abc>8.455 8.657 8.455<abc><angles>60.770 90.000 119.230<angles><comp>Cs2 Au2 I6<comp><coord>Cs 0.750 0.500 0.750 Cs 0.250 0.500 0.250 Au 0.500 1.000 0.500 Au 0.000 0.000 0.000 I 0.773 0.000 0.773 I 0.710 0.420 0.290 I 0.227 0.000 0.227 I 0.290 0.580 0.710 I 0.773 0.000 0.227 I 0.227 0.000 0.773 <coord> |
<forme>-0.74<forme><bg>1.81<bg><abc>6.285 7.450 7.450<abc><angles>83.941 74.402 74.402<angles><comp>Ca4 Re4 N12<comp><coord>Ca 0.250 0.912 0.088 Ca 0.250 0.295 0.705 Ca 0.750 0.088 0.912 Ca 0.750 0.705 0.295 Re 0.727 0.203 0.378 Re 0.773 0.622 0.797 Re 0.273 0.797 0.622 Re 0.227 0.378 0.203 N 0.063 0.645 0.658 N 0.662 0.774 0.989 N 0.838 0.011 0.226 N 0.162 0.989 0.774 N 0.937 0.355 0.342 N 0.171 0.611 0.122 N 0.829 0.389 0.878 N 0.338 0.226 0.011 N 0.671 0.122 0.611 N 0.437 0.342 0.355 N 0.329 0.878 0.389 N 0.563 0.658 0.645 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>3.690 3.690 5.708<abc><angles>108.857 108.857 90.000<angles><comp>Th1 Ni2 B2 C1<comp><coord>Th 0.500 0.500 0.000 Ni 0.750 0.250 0.500 Ni 0.250 0.750 0.500 B 0.149 0.149 0.297 B 0.851 0.851 0.703 C 0.000 0.000 0.000 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>4.083 6.615 7.786<abc><angles>90.000 105.199 90.000<angles><comp>Lu2 Ga8 Ni2<comp><coord>Lu 0.879 0.250 0.759 Lu 0.121 0.750 0.241 Ga 0.500 0.000 0.000 Ga 0.500 0.500 0.000 Ga 0.070 0.250 0.140 Ga 0.930 0.750 0.860 Ga 0.684 0.051 0.369 Ga 0.316 0.949 0.631 Ga 0.684 0.449 0.369 Ga 0.316 0.551 0.631 Ni 0.227 0.250 0.453 Ni 0.773 0.750 0.547 <coord> |
<forme>-3.1<forme><bg>3.7<bg><abc>3.248 3.248 6.438<abc><angles>75.388 75.388 60.000<angles><comp>K1 Sc1 O2<comp><coord>K 0.000 0.000 0.000 Sc 0.500 0.500 0.500 O 0.774 0.774 0.678 O 0.226 0.226 0.322 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>4.590 4.590 4.590<abc><angles>60.000 60.000 60.000<angles><comp>Mg2 Pd1 Au1<comp><coord>Mg 0.750 0.750 0.750 Mg 0.250 0.250 0.250 Pd 0.000 0.000 0.000 Au 0.500 0.500 0.500 <coord> |
<forme>-0.03<forme><bg>0.0<bg><abc>4.247 4.247 4.247<abc><angles>90.000 90.000 90.000<angles><comp>In1 Ag3<comp><coord>In 0.000 0.000 0.000 Ag 0.000 0.500 0.500 Ag 0.500 0.500 0.000 Ag 0.500 0.000 0.500 <coord> |
<forme>-2.54<forme><bg>2.72<bg><abc>5.184 5.184 9.803<abc><angles>90.000 90.000 120.000<angles><comp>Dy2 Cr2 Te2 O12<comp><coord>Dy 0.000 0.000 0.500 Dy 0.000 0.000 0.000 Cr 0.667 0.333 0.750 Cr 0.333 0.667 0.250 Te 0.667 0.333 0.250 Te 0.333 0.667 0.750 O 0.355 0.990 0.639 O 0.010 0.365 0.639 O 0.635 0.645 0.639 O 0.645 0.010 0.361 O 0.990 0.635 0.361 O 0.365 0.355 0.361 O 0.635 0.990 0.861 O 0.010 0.645 0.861 O 0.355 0.365 0.861 O 0.365 0.010 0.139 O 0.990 0.355 0.139 O 0.645 0.635 0.139 <coord> |
<forme>-0.9<forme><bg>1.43<bg><abc>3.327 3.327 37.841<abc><angles>90.000 90.000 120.000<angles><comp>Mo1 W3 Se8<comp><coord>Mo 0.333 0.667 0.718 W 0.667 0.333 0.906 W 0.667 0.333 0.530 W 0.333 0.667 0.342 Se 0.667 0.333 0.674 Se 0.667 0.333 0.298 Se 0.333 0.667 0.951 Se 0.333 0.667 0.575 Se 0.333 0.667 0.862 Se 0.333 0.667 0.486 Se 0.667 0.333 0.762 Se 0.667 0.333 0.387 <coord> |
<forme>-2.29<forme><bg>7.88<bg><abc>4.739 6.141 6.375<abc><angles>79.685 81.233 89.056<angles><comp>B2 H6 O2 F8<comp><coord>B 0.568 0.799 0.798 B 0.432 0.201 0.202 H 0.836 0.705 0.164 H 0.164 0.295 0.836 H 0.754 0.696 0.429 H 0.246 0.304 0.571 H 0.043 0.835 0.292 H 0.957 0.165 0.708 O 0.914 0.704 0.303 O 0.086 0.296 0.697 F 0.727 0.678 0.951 F 0.273 0.322 0.049 F 0.732 0.988 0.680 F 0.268 0.012 0.320 F 0.531 0.661 0.644 F 0.469 0.339 0.356 F 0.306 0.863 0.896 F 0.694 0.137 0.104 <coord> |
<forme>-2.43<forme><bg>2.87<bg><abc>7.388 7.388 7.388<abc><angles>60.000 60.000 60.000<angles><comp>K2 Li1 Gd1 Cl6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 Li 0.500 0.500 0.500 Gd 0.000 0.000 0.000 Cl 0.254 0.746 0.254 Cl 0.254 0.254 0.746 Cl 0.746 0.254 0.746 Cl 0.254 0.746 0.746 Cl 0.746 0.254 0.254 Cl 0.746 0.746 0.254 <coord> |
<forme>-2.89<forme><bg>1.25<bg><abc>7.421 7.929 7.421<abc><angles>117.906 90.000 117.906<angles><comp>Ba6 V2 O10<comp><coord>Ba 0.750 0.500 0.750 Ba 0.250 0.500 0.250 Ba 0.819 1.000 0.681 Ba 0.181 0.000 0.319 Ba 0.319 0.000 0.819 Ba 0.681 1.000 0.181 V 0.250 0.500 0.750 V 0.750 0.500 0.250 O 0.202 0.683 0.981 O 0.798 0.317 0.019 O 0.481 0.683 0.702 O 0.702 0.683 0.202 O 0.019 0.317 0.519 O 0.519 0.317 0.298 O 0.298 0.317 0.798 O 0.981 0.683 0.481 O 0.000 0.000 0.000 O 0.500 0.000 0.500 <coord> |
<forme>-0.83<forme><bg>0.04<bg><abc>5.596 5.596 7.705<abc><angles>99.725 105.742 113.193<angles><comp>Cu2 Ag1 Se2 O10<comp><coord>Cu 0.500 0.000 0.000 Cu 0.000 0.500 0.000 Ag 1.000 0.500 0.500 Se 0.789 0.918 0.707 Se 0.211 0.082 0.293 O 0.009 0.821 0.831 O 0.991 0.179 0.169 O 0.694 0.783 0.477 O 0.306 0.217 0.523 O 0.947 0.271 0.760 O 0.489 0.813 0.760 O 0.053 0.729 0.240 O 0.511 0.187 0.240 O 0.629 0.322 0.951 O 0.371 0.678 0.049 <coord> |
<forme>-2.5<forme><bg>0.86<bg><abc>5.793 5.794 5.794<abc><angles>119.933 119.926 90.116<angles><comp>Ba2 Fe1 Mo1 O6<comp><coord>Ba 0.250 0.750 0.500 Ba 0.750 0.250 0.500 Fe 1.000 0.000 1.000 Mo 0.500 0.500 0.000 O 0.750 0.750 1.000 O 0.250 0.250 0.000 O 0.745 0.745 0.489 O 0.744 0.255 0.000 O 0.255 0.255 0.511 O 0.256 0.745 1.000 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>3.870 3.907 26.269<abc><angles>85.852 89.784 60.342<angles><comp>Cu9 Se8<comp><coord>Cu 0.728 0.673 0.968 Cu 0.275 0.435 0.847 Cu 0.630 0.849 0.781 Cu 0.249 0.596 0.657 Cu 0.875 0.344 0.535 Cu 0.500 0.094 0.410 Cu 0.126 0.844 0.285 Cu 0.752 0.590 0.162 Cu 0.403 0.320 0.042 Se 0.062 0.998 0.004 Se 0.617 0.755 0.878 Se 0.287 0.529 0.750 Se 0.534 0.027 0.502 Se 0.908 0.277 0.626 Se 0.159 0.777 0.377 Se 0.785 0.526 0.254 Se 0.412 0.270 0.132 <coord> |
<forme>-0.06<forme><bg>0.0<bg><abc>5.315 5.315 5.315<abc><angles>60.000 60.000 60.000<angles><comp>Er1 Tm1 Mg2<comp><coord>Er 0.500 0.500 0.500 Tm 0.000 0.000 0.000 Mg 0.750 0.750 0.750 Mg 0.250 0.250 0.250 <coord> |
<forme>-2.11<forme><bg>1.46<bg><abc>5.646 5.646 6.547<abc><angles>90.000 90.000 116.035<angles><comp>Na2 Hg2 P2 O8<comp><coord>Na 0.500 0.500 1.000 Na 0.500 0.500 0.500 Hg 0.188 0.812 0.750 Hg 0.812 0.188 0.250 P 0.861 0.139 0.750 P 0.139 0.861 0.250 O 0.835 0.740 0.250 O 0.165 0.260 0.750 O 0.740 0.835 0.750 O 0.260 0.165 0.250 O 0.245 0.755 0.065 O 0.755 0.245 0.565 O 0.245 0.755 0.435 O 0.755 0.245 0.935 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>4.798 4.798 4.798<abc><angles>60.000 60.000 60.000<angles><comp>Tm1 Mg1 Zn2<comp><coord>Tm 0.000 0.000 0.000 Mg 0.500 0.500 0.500 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 <coord> |
<forme>-2.11<forme><bg>0.38<bg><abc>3.220 6.489 6.489<abc><angles>103.216 90.000 90.000<angles><comp>Sc2 Ag2 O6<comp><coord>Sc 0.500 0.500 0.000 Sc 0.500 0.000 0.500 Ag 0.000 0.000 0.000 Ag 1.000 0.500 0.500 O 1.000 0.313 0.036 O 0.000 0.036 0.313 O 0.500 0.636 0.364 O 0.500 0.364 0.636 O 1.000 0.687 0.964 O 1.000 0.964 0.687 <coord> |
<forme>-0.83<forme><bg>0.33<bg><abc>4.081 4.081 5.584<abc><angles>90.000 90.000 90.000<angles><comp>Li1 Sb1 Se2<comp><coord>Li 0.000 0.000 0.000 Sb 0.500 0.500 0.500 Se 0.000 0.000 0.500 Se 0.500 0.500 0.000 <coord> |
<forme>-0.17<forme><bg>0.0<bg><abc>5.607 5.607 6.881<abc><angles>114.041 114.041 90.000<angles><comp>Cu1 I4<comp><coord>Cu 0.000 0.000 0.000 I 0.392 0.867 0.259 I 0.867 0.392 0.259 I 0.133 0.133 0.741 I 0.608 0.608 0.741 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>3.061 5.249 7.888<abc><angles>90.000 90.000 106.954<angles><comp>V6 Ge2 C2<comp><coord>V 0.039 0.079 0.750 V 0.961 0.921 0.250 V 0.372 0.743 0.548 V 0.628 0.257 0.452 V 0.372 0.743 0.952 V 0.628 0.257 0.048 Ge 0.744 0.489 0.750 Ge 0.256 0.511 0.250 C 0.000 0.000 0.500 C 0.000 0.000 0.000 <coord> |
<forme>-1.32<forme><bg>0.0<bg><abc>3.505 3.505 6.315<abc><angles>73.889 73.889 60.000<angles><comp>Li1 V1 S2<comp><coord>Li 0.000 0.000 0.000 V 0.500 0.500 0.500 S 0.243 0.243 0.270 S 0.757 0.757 0.730 <coord> |
<forme>-2.12<forme><bg>0.0<bg><abc>7.753 7.753 7.753<abc><angles>109.471 109.471 109.471<angles><comp>Nd6 Se8<comp><coord>Nd 0.875 0.750 0.625 Nd 0.375 0.625 0.750 Nd 0.625 0.250 0.875 Nd 0.250 0.375 0.125 Nd 0.750 0.125 0.375 Nd 0.125 0.875 0.250 Se 0.350 0.000 0.000 Se 0.000 0.500 0.850 Se 0.150 0.150 0.650 Se 0.000 0.500 0.350 Se 0.500 0.350 0.500 Se 0.500 0.850 0.500 Se 0.650 0.650 0.150 Se 0.850 0.000 0.000 <coord> |
<forme>-1.06<forme><bg>0.12<bg><abc>3.050 3.159 5.347<abc><angles>90.000 90.000 90.000<angles><comp>Li1 Ag1 O2<comp><coord>Li 0.000 0.000 0.000 Ag 0.500 0.500 0.500 O 0.000 0.500 0.245 O 0.000 0.500 0.755 <coord> |
<forme>-0.58<forme><bg>0.0<bg><abc>5.053 7.355 7.355<abc><angles>119.219 89.998 89.998<angles><comp>Ti6 Si6 Mo4<comp><coord>Ti 0.750 0.767 0.000 Ti 0.750 0.000 0.767 Ti 0.500 0.665 0.332 Ti 0.500 0.332 0.665 Ti 1.000 0.332 0.665 Ti 1.000 0.665 0.332 Si 0.250 0.386 0.386 Si 0.250 0.611 0.999 Si 0.250 0.999 0.611 Si 0.750 0.603 0.603 Si 0.750 0.397 0.001 Si 0.750 0.001 0.397 Mo 0.250 0.732 0.732 Mo 0.250 0.259 0.998 Mo 0.250 0.998 0.259 Mo 0.750 0.253 0.253 <coord> |
<forme>-2.19<forme><bg>0.0<bg><abc>3.866 3.866 11.852<abc><angles>90.000 90.000 89.643<angles><comp>Sr2 Tb1 Cu2 Ir1 O8<comp><coord>Sr 0.498 0.502 0.194 Sr 0.498 0.502 0.806 Tb 0.501 0.499 0.500 Cu 0.001 0.999 0.359 Cu 0.001 0.999 0.641 Ir 0.019 0.981 0.000 O 0.007 0.993 0.171 O 0.007 0.993 0.829 O 0.001 0.499 0.377 O 0.501 0.999 0.377 O 0.001 0.499 0.623 O 0.501 0.999 0.623 O 0.523 0.935 0.000 O 0.065 0.477 0.000 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>4.478 6.391 7.910<abc><angles>113.826 106.442 90.000<angles><comp>Sm2 Al8<comp><coord>Sm 0.114 0.864 0.228 Sm 0.886 0.136 0.772 Al 0.500 0.500 0.000 Al 0.500 0.000 1.000 Al 0.887 0.637 0.774 Al 0.113 0.363 0.226 Al 0.302 0.341 0.604 Al 0.698 0.659 0.396 Al 0.698 0.237 0.396 Al 0.302 0.763 0.604 <coord> |
<forme>-2.78<forme><bg>3.68<bg><abc>4.902 4.902 4.902<abc><angles>90.000 90.000 90.000<angles><comp>Cs1 Pb1 F3<comp><coord>Cs 0.500 0.500 0.500 Pb 0.000 0.000 0.000 F 0.000 0.500 0.000 F 0.000 0.000 0.500 F 0.500 0.000 0.000 <coord> |
<forme>-0.89<forme><bg>0.0<bg><abc>4.194 4.194 5.772<abc><angles>111.307 111.307 90.000<angles><comp>Eu1 P2 Pd2<comp><coord>Eu 0.000 0.000 0.000 P 0.388 0.388 0.776 P 0.612 0.612 0.224 Pd 0.250 0.750 0.500 Pd 0.750 0.250 0.500 <coord> |
<forme>-0.2<forme><bg>0.0<bg><abc>5.278 5.278 5.278<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Pm2 Al1<comp><coord>Li 0.000 0.000 0.000 Pm 0.750 0.750 0.750 Pm 0.250 0.250 0.250 Al 0.500 0.500 0.500 <coord> |
<forme>0.0<forme><bg>0.0<bg><abc>5.001 7.302 9.500<abc><angles>90.000 90.000 90.000<angles><comp>Mg4 Pb8<comp><coord>Mg 0.250 0.744 0.873 Mg 0.750 0.256 0.127 Mg 0.750 0.756 0.373 Mg 0.250 0.244 0.627 Pb 0.250 0.679 0.555 Pb 0.750 0.321 0.445 Pb 0.750 0.821 0.055 Pb 0.250 0.179 0.945 Pb 0.250 0.542 0.180 Pb 0.750 0.458 0.820 Pb 0.750 0.958 0.680 Pb 0.250 0.042 0.320 <coord> |
<forme>-2.97<forme><bg>4.65<bg><abc>5.748 5.748 8.241<abc><angles>90.000 90.000 120.000<angles><comp>Rb3 Dy1 P2 O8<comp><coord>Rb 0.667 0.333 0.242 Rb 0.333 0.667 0.758 Rb 0.000 0.000 0.000 Dy 0.000 0.000 0.500 P 0.667 0.333 0.724 P 0.333 0.667 0.276 O 0.667 0.333 0.910 O 0.333 0.667 0.090 O 0.814 0.629 0.658 O 0.186 0.371 0.342 O 0.814 0.186 0.658 O 0.186 0.814 0.342 O 0.371 0.186 0.658 O 0.629 0.814 0.342 <coord> |
<forme>-3.53<forme><bg>0.0<bg><abc>5.556 5.556 8.798<abc><angles>108.405 108.405 90.000<angles><comp>Li1 La3 Ti4 O12<comp><coord>Li 0.500 0.500 1.000 La 0.748 0.748 0.497 La 0.252 0.252 0.503 La 0.000 0.000 0.000 Ti 0.877 0.377 0.755 Ti 0.377 0.877 0.755 Ti 0.123 0.623 0.245 Ti 0.623 0.123 0.245 O 0.000 0.500 1.000 O 0.500 0.000 0.000 O 0.627 0.627 0.744 O 0.117 0.117 0.744 O 0.883 0.883 0.256 O 0.373 0.373 0.256 O 0.117 0.627 0.744 O 0.627 0.117 0.744 O 0.373 0.883 0.256 O 0.883 0.373 0.256 O 0.750 0.250 0.500 O 0.250 0.750 0.500 <coord> |
<forme>-1.02<forme><bg>0.86<bg><abc>4.947 5.982 11.277<abc><angles>90.000 90.000 90.000<angles><comp>Rb4 Te4<comp><coord>Rb 0.500 0.679 0.866 Rb 0.500 0.321 0.134 Rb 0.500 0.179 0.634 Rb 0.500 0.821 0.366 Te 0.000 0.141 0.898 Te 0.000 0.859 0.102 Te 0.000 0.641 0.602 Te 0.000 0.359 0.398 <coord> |
<forme>-0.05<forme><bg>0.0<bg><abc>5.726 5.726 5.726<abc><angles>60.000 60.000 60.000<angles><comp>Bi2 Au4<comp><coord>Bi 0.500 0.500 0.500 Bi 0.250 0.250 0.250 Au 0.875 0.375 0.875 Au 0.875 0.875 0.875 Au 0.375 0.875 0.875 Au 0.875 0.875 0.375 <coord> |
<forme>-0.8<forme><bg>0.0<bg><abc>4.305 5.841 9.288<abc><angles>82.037 76.600 68.378<angles><comp>Tb4 Ge4 Ru2<comp><coord>Tb 0.316 0.756 0.612 Tb 0.684 0.244 0.388 Tb 0.502 0.170 0.826 Tb 0.498 0.830 0.174 Ge 0.146 0.773 0.936 Ge 0.854 0.227 0.064 Ge 0.011 0.354 0.625 Ge 0.989 0.646 0.375 Ru 0.229 0.415 0.128 Ru 0.771 0.585 0.872 <coord> |
<forme>-0.87<forme><bg>0.0<bg><abc>4.739 4.739 4.739<abc><angles>60.000 60.000 60.000<angles><comp>Lu1 Cd1 Pt2<comp><coord>Lu 0.000 0.000 0.000 Cd 0.500 0.500 0.500 Pt 0.750 0.750 0.750 Pt 0.250 0.250 0.250 <coord> |
<forme>0.05<forme><bg>0.0<bg><abc>4.639 4.639 5.897<abc><angles>113.161 113.161 90.000<angles><comp>Ga1 Sn3<comp><coord>Ga 0.000 0.000 0.000 Sn 0.750 0.250 0.500 Sn 0.250 0.750 0.500 Sn 0.500 0.500 0.000 <coord> |
<forme>-2.03<forme><bg>0.0<bg><abc>4.665 5.438 5.438<abc><angles>98.250 103.612 103.612<angles><comp>Cu2 P2 O7<comp><coord>Cu 0.500 0.688 0.312 Cu 0.500 0.312 0.688 P 0.090 0.805 0.805 P 0.910 0.195 0.195 O 0.731 0.043 0.352 O 0.269 0.648 0.957 O 0.269 0.957 0.648 O 0.731 0.352 0.043 O 0.000 0.000 0.000 O 0.221 0.377 0.377 O 0.779 0.623 0.623 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>3.590 6.341 6.341<abc><angles>120.000 90.000 90.000<angles><comp>Ti3 Fe3 As3<comp><coord>Ti 0.500 1.000 0.410 Ti 0.500 0.410 0.000 Ti 0.500 0.590 0.590 Fe 0.000 1.000 0.750 Fe 1.000 0.750 0.000 Fe 1.000 0.250 0.250 As 0.000 0.667 0.333 As 1.000 0.333 0.667 As 0.500 0.000 0.000 <coord> |
<forme>-0.62<forme><bg>0.0<bg><abc>4.041 4.085 7.078<abc><angles>90.078 90.000 90.000<angles><comp>Tb2 Zn1 Cu1 Si2<comp><coord>Tb 0.000 1.000 0.003 Tb 0.000 0.500 0.497 Zn 0.500 0.500 0.835 Cu 0.500 0.000 0.332 Si 0.500 0.500 0.173 Si 0.500 1.000 0.660 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>3.626 3.626 6.991<abc><angles>90.000 90.000 90.000<angles><comp>Tb2 Co2 C2<comp><coord>Tb 0.000 0.000 0.750 Tb 0.000 0.000 0.250 Co 0.500 0.500 0.000 Co 0.500 0.500 0.500 C 0.500 0.000 0.500 C 0.000 0.500 0.000 <coord> |
<forme>-0.72<forme><bg>0.0<bg><abc>4.182 4.182 5.625<abc><angles>111.824 111.824 90.000<angles><comp>Er1 Si2 Os2<comp><coord>Er 0.000 0.000 0.000 Si 0.628 0.628 0.256 Si 0.372 0.372 0.744 Os 0.750 0.250 0.500 Os 0.250 0.750 0.500 <coord> |
<forme>-3.34<forme><bg>2.53<bg><abc>5.553 7.265 7.265<abc><angles>102.934 90.000 90.000<angles><comp>Gd6 Fe2 O12<comp><coord>Gd 0.959 0.799 0.588 Gd 0.959 0.412 0.201 Gd 0.459 0.201 0.412 Gd 0.459 0.588 0.799 Gd 0.003 0.897 0.103 Gd 0.503 0.103 0.897 Fe 0.428 0.692 0.308 Fe 0.928 0.308 0.692 O 0.729 0.145 0.175 O 0.729 0.825 0.855 O 0.229 0.855 0.825 O 0.229 0.175 0.145 O 0.750 0.079 0.606 O 0.750 0.394 0.921 O 0.250 0.921 0.394 O 0.250 0.606 0.079 O 0.781 0.460 0.540 O 0.281 0.540 0.460 O 0.768 0.715 0.285 O 0.268 0.285 0.715 <coord> |
<forme>-1.72<forme><bg>0.41<bg><abc>3.249 5.665 10.127<abc><angles>90.000 90.000 90.000<angles><comp>Cd4 Sn2 O8<comp><coord>Cd 0.500 0.060 0.324 Cd 0.500 0.940 0.676 Cd 0.500 0.440 0.824 Cd 0.500 0.560 0.176 Sn 0.000 0.000 0.000 Sn 0.000 0.500 0.500 O 0.000 0.134 0.808 O 0.000 0.866 0.192 O 0.000 0.634 0.692 O 0.000 0.366 0.308 O 0.500 0.265 0.539 O 0.500 0.735 0.461 O 0.500 0.235 0.039 O 0.500 0.765 0.961 <coord> |
<forme>-0.39<forme><bg>0.0<bg><abc>3.099 7.532 9.621<abc><angles>90.000 90.000 90.000<angles><comp>B8 Mo8 Ru4<comp><coord>B 0.500 0.115 0.461 B 0.500 0.885 0.539 B 0.000 0.385 0.961 B 0.000 0.615 0.039 B 0.500 0.125 0.268 B 0.500 0.875 0.732 B 0.000 0.375 0.768 B 0.000 0.625 0.232 Mo 0.500 0.809 0.129 Mo 0.500 0.191 0.871 Mo 0.000 0.691 0.629 Mo 0.000 0.309 0.371 Mo 0.500 0.575 0.860 Mo 0.500 0.425 0.140 Mo 0.000 0.925 0.360 Mo 0.000 0.075 0.640 Ru 0.500 0.620 0.392 Ru 0.500 0.380 0.608 Ru 0.000 0.880 0.892 Ru 0.000 0.120 0.108 <coord> |
<forme>-2.16<forme><bg>0.0<bg><abc>5.559 5.559 6.805<abc><angles>90.000 90.000 120.000<angles><comp>Na2 W3 O9<comp><coord>Na 0.333 0.667 0.668 Na 0.667 0.333 0.332 W 0.000 0.000 0.500 W 0.333 0.667 0.162 W 0.667 0.333 0.838 O 0.167 0.335 0.338 O 0.500 0.000 0.000 O 0.833 0.665 0.662 O 0.335 0.167 0.662 O 0.665 0.833 0.338 O 1.000 0.500 0.000 O 0.167 0.833 0.338 O 0.500 0.500 1.000 O 0.833 0.167 0.662 <coord> |
<forme>-1.95<forme><bg>0.0<bg><abc>5.941 6.637 5.941<abc><angles>63.410 90.000 116.590<angles><comp>Nd2 Pd4 O8<comp><coord>Nd 0.500 0.000 0.500 Nd 0.250 0.500 0.250 Pd 0.875 0.250 0.875 Pd 0.875 0.750 0.875 Pd 0.875 0.750 0.375 Pd 0.375 0.250 0.875 O 0.500 0.602 0.851 O 0.203 0.102 0.250 O 0.899 0.102 0.648 O 0.102 0.602 0.547 O 0.250 0.898 0.899 O 0.547 0.398 0.500 O 0.648 0.898 0.203 O 0.851 0.398 0.102 <coord> |
<forme>-3.03<forme><bg>3.91<bg><abc>6.091 6.091 6.091<abc><angles>60.000 60.000 60.000<angles><comp>Li4 Mn2 F8<comp><coord>Li 0.375 0.875 0.375 Li 0.875 0.375 0.375 Li 0.375 0.375 0.375 Li 0.375 0.375 0.875 Mn 0.750 0.750 0.750 Mn 0.000 0.000 0.000 F 0.135 0.594 0.135 F 0.135 0.135 0.135 F 0.594 0.135 0.135 F 0.135 0.135 0.594 F 0.615 0.615 0.156 F 0.156 0.615 0.615 F 0.615 0.615 0.615 F 0.615 0.156 0.615 <coord> |
<forme>-0.74<forme><bg>0.0<bg><abc>4.925 4.925 4.925<abc><angles>60.000 60.000 60.000<angles><comp>Tb1 Bi1 Pd2<comp><coord>Tb 0.000 0.000 0.000 Bi 0.500 0.500 0.500 Pd 0.750 0.750 0.750 Pd 0.250 0.250 0.250 <coord> |
<forme>-1.48<forme><bg>2.3<bg><abc>3.081 3.102 3.102<abc><angles>60.051 89.078 60.324<angles><comp>Fe1 O1<comp><coord>Fe 1.000 0.000 1.000 O 0.500 0.000 0.500 <coord> |
<forme>-1.71<forme><bg>2.44<bg><abc>5.414 5.414 15.044<abc><angles>90.000 90.000 120.000<angles><comp>Tl4 Sb4 O12<comp><coord>Tl 0.333 0.667 0.074 Tl 0.667 0.333 0.574 Tl 0.667 0.333 0.926 Tl 0.333 0.667 0.426 Sb 0.333 0.667 0.750 Sb 0.000 0.000 0.750 Sb 0.667 0.333 0.250 Sb 0.000 0.000 0.250 O 0.718 0.051 0.175 O 0.282 0.333 0.675 O 0.282 0.949 0.825 O 0.949 0.282 0.325 O 0.051 0.333 0.825 O 0.667 0.718 0.825 O 0.333 0.051 0.325 O 0.949 0.667 0.175 O 0.667 0.949 0.675 O 0.333 0.282 0.175 O 0.051 0.718 0.675 O 0.718 0.667 0.325 <coord> |
<forme>-2.99<forme><bg>3.04<bg><abc>3.573 3.573 6.893<abc><angles>74.978 74.978 60.000<angles><comp>Rb1 Gd1 O2<comp><coord>Rb 0.000 0.000 0.000 Gd 0.500 0.500 0.500 O 0.774 0.774 0.677 O 0.226 0.226 0.323 <coord> |
<forme>-1.03<forme><bg>0.0<bg><abc>4.464 7.464 7.984<abc><angles>90.000 90.000 90.000<angles><comp>Li4 Eu4 As4<comp><coord>Li 0.250 0.157 0.929 Li 0.250 0.657 0.571 Li 0.750 0.843 0.071 Li 0.750 0.343 0.429 Eu 0.250 0.009 0.296 Eu 0.250 0.509 0.204 Eu 0.750 0.991 0.704 Eu 0.750 0.491 0.796 As 0.250 0.275 0.596 As 0.250 0.775 0.904 As 0.750 0.725 0.404 As 0.750 0.225 0.096 <coord> |
<forme>0.02<forme><bg>0.0<bg><abc>5.099 5.099 5.099<abc><angles>90.000 90.000 90.000<angles><comp>Nd1 Y3<comp><coord>Nd 0.000 0.000 0.000 Y 0.000 0.500 0.500 Y 0.500 0.000 0.500 Y 0.500 0.500 0.000 <coord> |
<forme>-1.64<forme><bg>0.35<bg><abc>7.300 7.306 8.893<abc><angles>90.000 114.235 90.000<angles><comp>Rb4 Cu2 Br2 Cl6<comp><coord>Rb 0.863 0.500 0.727 Rb 0.363 0.000 0.727 Rb 0.134 0.500 0.268 Rb 0.634 1.000 0.268 Cu 0.504 0.500 0.008 Cu 0.004 0.000 0.008 Br 0.347 0.500 0.693 Br 0.847 1.000 0.693 Cl 0.649 0.500 0.299 Cl 0.149 0.000 0.299 Cl 0.282 0.281 0.002 Cl 0.721 0.719 0.002 Cl 0.221 0.781 0.002 Cl 0.782 0.219 0.002 <coord> |
<forme>-0.64<forme><bg>0.0<bg><abc>5.078 5.078 5.078<abc><angles>60.000 60.000 60.000<angles><comp>Pr1 Cd1 Au2<comp><coord>Pr 0.000 0.000 0.000 Cd 0.500 0.500 0.500 Au 0.250 0.250 0.250 Au 0.750 0.750 0.750 <coord> |
<forme>-0.92<forme><bg>0.0<bg><abc>8.572 8.572 8.572<abc><angles>109.471 109.471 109.471<angles><comp>La8 Bi6<comp><coord>La 0.000 0.500 0.147 La 0.647 1.000 0.000 La 0.000 0.500 0.647 La 0.353 0.353 0.853 La 0.853 0.853 0.353 La 0.500 0.147 0.500 La 0.147 0.000 0.000 La 0.500 0.647 0.500 Bi 0.125 0.250 0.375 Bi 0.750 0.625 0.875 Bi 0.375 0.750 0.125 Bi 0.875 0.125 0.750 Bi 0.625 0.375 0.250 Bi 0.250 0.875 0.625 <coord> |
<forme>-1.33<forme><bg>0.0<bg><abc>7.522 7.528 7.528<abc><angles>61.420 60.026 60.026<angles><comp>Y2 Mn4 S8<comp><coord>Y 0.500 0.000 0.000 Y 0.500 0.500 0.500 Mn 0.130 0.120 0.620 Mn 0.870 0.880 0.380 Mn 0.000 0.500 0.000 Mn 0.500 0.500 0.000 S 0.758 0.269 0.216 S 0.758 0.716 0.769 S 0.263 0.736 0.236 S 0.242 0.731 0.784 S 0.235 0.264 0.764 S 0.242 0.284 0.231 S 0.765 0.736 0.236 S 0.737 0.264 0.764 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>5.534 5.534 5.744<abc><angles>90.000 90.000 98.180<angles><comp>Li4 Bi2 Au2<comp><coord>Li 0.124 0.480 0.750 Li 0.520 0.876 0.250 Li 0.876 0.520 0.250 Li 0.480 0.124 0.750 Bi 0.664 0.664 0.750 Bi 0.336 0.336 0.250 Au 0.000 0.000 0.500 Au 0.000 0.000 0.000 <coord> |
<forme>-0.32<forme><bg>0.11<bg><abc>3.605 8.397 8.419<abc><angles>101.594 102.362 90.000<angles><comp>Al12 Mo4<comp><coord>Al 0.565 0.921 0.131 Al 0.065 0.179 0.131 Al 0.560 0.416 0.121 Al 0.688 0.723 0.375 Al 0.189 0.981 0.378 Al 0.188 0.471 0.375 Al 0.811 0.019 0.622 Al 0.312 0.277 0.625 Al 0.812 0.529 0.625 Al 0.935 0.821 0.869 Al 0.435 0.079 0.869 Al 0.440 0.584 0.879 Mo 0.073 0.679 0.146 Mo 0.695 0.229 0.390 Mo 0.305 0.771 0.610 Mo 0.927 0.321 0.854 <coord> |
<forme>-2.24<forme><bg>0.43<bg><abc>4.824 4.824 9.440<abc><angles>90.000 90.000 90.000<angles><comp>U2 Rh4 O12<comp><coord>U 0.000 0.000 0.000 U 0.500 0.500 0.500 Rh 0.000 0.000 0.330 Rh 0.500 0.500 0.830 Rh 0.000 0.000 0.670 Rh 0.500 0.500 0.170 O 0.701 0.701 0.667 O 0.299 0.299 0.667 O 0.701 0.701 0.333 O 0.201 0.799 0.167 O 0.799 0.201 0.167 O 0.799 0.201 0.833 O 0.312 0.312 0.000 O 0.188 0.812 0.500 O 0.812 0.188 0.500 O 0.688 0.688 0.000 O 0.299 0.299 0.333 O 0.201 0.799 0.833 <coord> |
<forme>-2.46<forme><bg>0.0<bg><abc>5.580 5.581 5.582<abc><angles>60.609 60.585 60.605<angles><comp>Cr1 O6 Os1 Sr2<comp><coord>Cr 0.500 0.500 0.500 O 0.201 0.295 0.753 O 0.753 0.201 0.295 O 0.296 0.753 0.200 O 0.799 0.705 0.247 O 0.247 0.800 0.705 O 0.704 0.247 0.800 Os 0.000 1.000 0.000 Sr 0.250 0.250 0.250 Sr 0.750 0.750 0.750 <coord> |
<forme>-1.95<forme><bg>1.5<bg><abc>7.745 7.745 7.745<abc><angles>108.785 109.815 109.815<angles><comp>Nd5 Ag1 Se8<comp><coord>Nd 0.618 0.118 0.240 Nd 0.878 0.760 0.378 Nd 0.382 0.622 0.500 Nd 0.500 0.250 0.750 Nd 0.122 0.500 0.882 Ag 0.000 0.000 0.000 Se 0.392 0.367 0.118 Se 0.896 0.389 0.132 Se 0.743 0.507 0.611 Se 0.249 0.882 0.274 Se 0.104 0.236 0.493 Se 0.257 0.868 0.764 Se 0.751 0.025 0.633 Se 0.608 0.726 0.975 <coord> |
<forme>-0.37<forme><bg>0.0<bg><abc>5.396 5.396 5.396<abc><angles>60.000 60.000 60.000<angles><comp>Yb1 Pm1 Cd2<comp><coord>Yb 0.000 0.000 0.000 Pm 0.500 0.500 0.500 Cd 0.250 0.250 0.250 Cd 0.750 0.750 0.750 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>2.871 2.871 5.707<abc><angles>90.000 90.000 120.000<angles><comp>Mo2 N2<comp><coord>Mo 0.000 0.000 0.500 Mo 0.000 0.000 0.000 N 0.667 0.333 0.250 N 0.333 0.667 0.750 <coord> |
<forme>-1.36<forme><bg>0.0<bg><abc>3.373 3.373 12.945<abc><angles>82.514 82.514 60.000<angles><comp>Ta2 S4<comp><coord>Ta 0.917 0.917 0.249 Ta 0.083 0.083 0.751 S 0.790 0.790 0.631 S 0.210 0.210 0.369 S 0.624 0.624 0.129 S 0.376 0.376 0.871 <coord> |
<forme>-2.3<forme><bg>1.79<bg><abc>8.070 8.070 8.070<abc><angles>109.808 109.303 109.303<angles><comp>Ba2 La4 Se8<comp><coord>Ba 0.500 0.750 0.250 Ba 0.000 0.500 0.500 La 0.876 0.251 0.875 La 0.376 0.125 0.001 La 0.124 0.999 0.375 La 0.624 0.625 0.749 Se 0.254 0.360 0.770 Se 0.590 0.230 0.484 Se 0.754 0.020 0.110 Se 0.910 0.890 0.644 Se 0.090 0.734 0.980 Se 0.410 0.894 0.640 Se 0.746 0.516 0.106 Se 0.246 0.356 0.266 <coord> |
<forme>-2.36<forme><bg>0.0<bg><abc>3.854 3.854 11.527<abc><angles>90.000 90.000 89.830<angles><comp>Sr2 Gd1 Cr1 Cu2 O8<comp><coord>Sr 0.509 0.509 0.666 Sr 0.509 0.509 0.334 Gd 0.501 0.501 0.000 Cr 0.011 0.011 0.500 Cu 0.002 0.002 0.844 Cu 0.002 0.002 0.156 O 0.502 0.001 0.873 O 0.001 0.502 0.873 O 0.502 0.001 0.127 O 0.001 0.502 0.127 O 0.006 0.006 0.666 O 0.006 0.006 0.334 O 0.509 0.013 0.500 O 0.013 0.509 0.500 <coord> |
<forme>-1.46<forme><bg>1.33<bg><abc>4.890 4.890 6.083<abc><angles>113.702 113.702 90.000<angles><comp>Ca3 U1 N4<comp><coord>Ca 0.750 0.250 0.500 Ca 0.250 0.750 0.500 Ca 0.500 0.500 0.000 U 0.000 0.000 0.000 N 0.000 0.500 0.000 N 0.202 0.202 0.404 N 0.500 0.000 0.000 N 0.798 0.798 0.596 <coord> |
<forme>-2.28<forme><bg>0.0<bg><abc>5.092 5.092 8.761<abc><angles>90.000 90.000 93.221<angles><comp>Li4 Cu4 F12<comp><coord>Li 0.528 0.044 0.500 Li 0.956 0.472 0.500 Li 0.481 0.519 0.500 Li 0.018 0.982 0.000 Cu 0.491 0.509 0.168 Cu 0.491 0.509 0.832 Cu 0.008 0.992 0.316 Cu 0.008 0.992 0.684 F 0.188 0.189 0.500 F 0.194 0.197 0.169 F 0.194 0.197 0.831 F 0.679 0.321 0.650 F 0.679 0.321 0.350 F 0.659 0.341 0.000 F 0.310 0.690 0.000 F 0.312 0.688 0.659 F 0.312 0.688 0.341 F 0.803 0.806 0.831 F 0.803 0.806 0.169 F 0.811 0.812 0.500 <coord> |
<forme>-1.32<forme><bg>0.0<bg><abc>4.283 8.912 12.350<abc><angles>93.582 90.000 90.000<angles><comp>Y6 Ir2 I6<comp><coord>Y 0.250 0.859 0.130 Y 0.750 0.141 0.870 Y 0.250 0.903 0.684 Y 0.750 0.097 0.316 Y 0.750 0.750 0.901 Y 0.250 0.250 0.099 Ir 0.250 0.951 0.907 Ir 0.750 0.049 0.093 I 0.750 0.573 0.133 I 0.250 0.427 0.867 I 0.750 0.651 0.639 I 0.250 0.349 0.361 I 0.250 0.859 0.394 I 0.750 0.141 0.606 <coord> |
<forme>-1.14<forme><bg>2.1<bg><abc>8.054 8.054 8.054<abc><angles>68.438 68.438 68.438<angles><comp>K6 Au2 Se4<comp><coord>K 0.041 0.459 0.750 K 0.750 0.041 0.459 K 0.459 0.750 0.041 K 0.959 0.541 0.250 K 0.250 0.959 0.541 K 0.541 0.250 0.959 Au 0.500 0.500 0.500 Au 0.000 0.000 0.000 Se 0.366 0.366 0.366 Se 0.134 0.134 0.134 Se 0.866 0.866 0.866 Se 0.634 0.634 0.634 <coord> |
<forme>-0.68<forme><bg>0.67<bg><abc>6.008 7.573 7.573<abc><angles>120.000 90.000 90.000<angles><comp>Tl2 Pt4 Se6<comp><coord>Tl 0.652 0.667 0.333 Tl 0.348 0.333 0.667 Pt 0.000 0.000 0.000 Pt 0.000 0.500 0.500 Pt 0.000 1.000 0.500 Pt 0.000 0.500 0.000 Se 0.207 0.830 0.660 Se 0.207 0.830 0.170 Se 0.207 0.340 0.170 Se 0.793 0.660 0.830 Se 0.793 0.170 0.830 Se 0.793 0.170 0.340 <coord> |
<forme>-0.59<forme><bg>0.22<bg><abc>4.457 4.457 7.240<abc><angles>90.000 90.000 120.000<angles><comp>Ca1 Cd2 As2<comp><coord>Ca 0.000 0.000 0.000 Cd 0.667 0.333 0.366 Cd 0.333 0.667 0.634 As 0.667 0.333 0.765 As 0.333 0.667 0.235 <coord> |
<forme>-0.44<forme><bg>0.0<bg><abc>4.565 4.565 6.372<abc><angles>90.000 90.000 120.000<angles><comp>V3 Si6<comp><coord>V 0.000 0.500 0.667 V 0.500 0.000 0.333 V 0.500 0.500 0.000 Si 0.163 0.837 0.000 Si 0.837 0.674 0.333 Si 0.326 0.163 0.667 Si 0.837 0.163 1.000 Si 0.163 0.326 0.333 Si 0.674 0.837 0.667 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.