text stringlengths 140 560 |
|---|
<forme>-0.39<forme><bg>0.0<bg><abc>3.903 3.903 5.318<abc><angles>111.527 111.527 90.000<angles><comp>Hf1 Ga3<comp><coord>Hf 0.000 0.000 0.000 Ga 0.500 0.500 0.000 Ga 0.750 0.250 0.500 Ga 0.250 0.750 0.500 <coord> |
<forme>-0.81<forme><bg>0.0<bg><abc>4.700 4.700 7.432<abc><angles>90.000 90.000 120.000<angles><comp>Ho2 Sn2 Au2<comp><coord>Ho 0.000 0.000 0.250 Ho 0.000 0.000 0.750 Sn 0.667 0.333 0.524 Sn 0.333 0.667 0.024 Au 0.667 0.333 0.921 Au 0.333 0.667 0.421 <coord> |
<forme>-2.23<forme><bg>0.16<bg><abc>4.473 5.599 9.769<abc><angles>90.000 90.000 113.545<angles><comp>Li4 Ag2 F10<comp><coord>Li 0.140 0.279 0.580 Li 0.140 0.279 0.920 Li 0.860 0.721 0.080 Li 0.860 0.721 0.420 Ag 0.191 0.382 0.250 Ag 0.809 0.618 0.750 F 0.316 0.631 0.090 F 0.316 0.631 0.410 F 0.057 0.114 0.106 F 0.057 0.114 0.394 F 0.219 0.439 0.750 F 0.781 0.561 0.250 F 0.943 0.886 0.606 F 0.943 0.886 0.894 F 0.684 0.369 0.910 F 0.684 0.369 0.590 <coord> |
<forme>-3.35<forme><bg>2.31<bg><abc>6.548 6.548 8.413<abc><angles>90.000 90.000 117.581<angles><comp>Zr2 Mn2 Tl2 F14<comp><coord>Zr 0.807 0.193 0.250 Zr 0.193 0.807 0.750 Mn 0.188 0.812 0.250 Mn 0.812 0.188 0.750 Tl 0.500 0.500 0.500 Tl 0.500 0.500 1.000 F 0.156 0.448 0.250 F 0.196 0.804 0.506 F 0.167 0.475 0.750 F 0.525 0.833 0.750 F 0.833 0.525 0.250 F 0.804 0.196 0.494 F 0.804 0.196 0.006 F 0.992 0.008 0.250 F 0.448 0.156 0.750 F 0.196 0.804 0.994 F 0.008 0.992 0.750 F 0.475 0.167 0.250 F 0.552 0.844 0.250 F 0.844 0.552 0.750 <coord> |
<forme>-0.05<forme><bg>0.0<bg><abc>6.021 6.021 9.768<abc><angles>90.000 90.000 120.000<angles><comp>Er4 Mg8<comp><coord>Er 0.667 0.333 0.564 Er 0.333 0.667 0.064 Er 0.333 0.667 0.436 Er 0.667 0.333 0.936 Mg 0.829 0.171 0.250 Mg 0.171 0.342 0.750 Mg 0.658 0.829 0.750 Mg 0.342 0.171 0.250 Mg 0.000 0.000 0.000 Mg 0.000 0.000 0.500 Mg 0.171 0.829 0.750 Mg 0.829 0.658 0.250 <coord> |
<forme>-1.39<forme><bg>0.0<bg><abc>6.118 6.256 6.256<abc><angles>120.000 90.000 90.000<angles><comp>Ac2 Se6<comp><coord>Ac 0.250 0.667 0.333 Ac 0.750 0.333 0.667 Se 0.750 0.826 0.174 Se 0.750 0.348 0.174 Se 0.750 0.826 0.652 Se 0.250 0.174 0.826 Se 0.250 0.652 0.826 Se 0.250 0.174 0.348 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>6.689 6.689 6.689<abc><angles>109.471 109.471 109.471<angles><comp>Na3 Ge4 Pt4<comp><coord>Na 0.000 0.500 0.500 Na 0.500 0.000 0.500 Na 0.500 0.500 1.000 Ge 0.000 0.000 0.367 Ge 0.633 0.633 0.633 Ge 0.000 0.367 0.000 Ge 0.367 1.000 1.000 Pt 0.000 0.722 0.000 Pt 0.278 0.278 0.278 Pt 0.722 0.000 1.000 Pt 0.000 0.000 0.722 <coord> |
<forme>0.02<forme><bg>0.0<bg><abc>6.132 6.132 6.598<abc><angles>62.310 62.310 60.000<angles><comp>Dy5 Mg1<comp><coord>Dy 0.160 0.500 0.500 Dy 0.840 0.160 0.500 Dy 0.500 0.840 0.500 Dy 0.332 0.332 0.004 Dy 0.668 0.668 0.996 Mg 0.000 0.000 0.000 <coord> |
<forme>-0.24<forme><bg>0.0<bg><abc>5.477 6.830 6.830<abc><angles>120.000 90.000 90.000<angles><comp>Tm6 In2<comp><coord>Tm 0.250 0.169 0.339 Tm 0.250 0.661 0.831 Tm 0.250 0.169 0.831 Tm 0.750 0.831 0.661 Tm 0.750 0.339 0.169 Tm 0.750 0.831 0.169 In 0.750 0.333 0.667 In 0.250 0.667 0.333 <coord> |
<forme>-3.2<forme><bg>1.48<bg><abc>3.952 3.952 11.504<abc><angles>90.000 90.000 90.000<angles><comp>Cs1 La1 Nb2 O7<comp><coord>Cs 0.000 0.000 0.500 La 0.000 0.000 0.000 Nb 0.500 0.500 0.198 Nb 0.500 0.500 0.802 O 0.500 0.500 0.645 O 0.000 0.500 0.161 O 0.500 0.000 0.161 O 0.000 0.500 0.839 O 0.500 0.000 0.839 O 0.500 0.500 0.355 O 0.500 0.500 0.000 <coord> |
<forme>-3.58<forme><bg>3.61<bg><abc>5.474 7.183 7.183<abc><angles>102.840 90.000 90.000<angles><comp>Tb6 Ga2 O12<comp><coord>Tb 0.922 0.602 0.398 Tb 0.422 0.398 0.602 Tb 0.969 0.701 0.912 Tb 0.469 0.299 0.088 Tb 0.969 0.088 0.299 Tb 0.469 0.912 0.701 Ga 0.500 0.807 0.193 Ga 0.000 0.193 0.807 O 0.164 0.784 0.216 O 0.664 0.216 0.784 O 0.639 0.961 0.039 O 0.139 0.039 0.961 O 0.697 0.644 0.676 O 0.197 0.356 0.324 O 0.697 0.324 0.356 O 0.197 0.676 0.644 O 0.178 0.106 0.579 O 0.678 0.894 0.421 O 0.178 0.421 0.894 O 0.678 0.579 0.106 <coord> |
<forme>-0.34<forme><bg>1.46<bg><abc>4.168 4.168 22.372<abc><angles>90.000 90.000 120.000<angles><comp>Cu6 I6<comp><coord>Cu 0.000 0.000 0.218 Cu 0.667 0.333 0.949 Cu 0.000 0.000 0.551 Cu 0.000 0.000 0.885 Cu 0.333 0.667 0.282 Cu 0.667 0.333 0.615 I 0.000 0.000 0.668 I 0.000 0.000 0.335 I 0.667 0.333 0.832 I 0.667 0.333 0.498 I 0.333 0.667 0.165 I 0.000 0.000 0.002 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>5.380 5.380 7.473<abc><angles>90.000 90.000 90.000<angles><comp>Dy2 B8 Ir4 Rh4<comp><coord>Dy 0.500 0.000 0.248 Dy 0.000 0.500 0.748 B 0.329 0.500 0.404 B 0.671 0.500 0.404 B 0.500 0.329 0.904 B 0.500 0.671 0.904 B 0.170 0.000 0.598 B 0.830 0.000 0.598 B 0.000 0.170 0.098 B 0.000 0.830 0.098 Ir 0.752 0.500 0.105 Ir 0.248 0.500 0.105 Ir 0.500 0.752 0.605 Ir 0.500 0.248 0.605 Rh 0.749 0.000 0.894 Rh 0.251 0.000 0.894 Rh 0.000 0.749 0.394 Rh 0.000 0.251 0.394 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>3.192 6.127 6.127<abc><angles>90.000 90.000 90.000<angles><comp>Ta2 B4 Mo4<comp><coord>Ta 0.000 0.500 0.500 Ta 0.000 0.000 0.000 B 0.000 0.109 0.609 B 0.000 0.891 0.391 B 1.000 0.609 0.891 B 0.000 0.391 0.109 Mo 0.500 0.674 0.174 Mo 0.500 0.326 0.826 Mo 0.500 0.174 0.326 Mo 0.500 0.826 0.674 <coord> |
<forme>-1.41<forme><bg>8.07<bg><abc>4.302 4.360 6.067<abc><angles>79.571 79.451 77.153<angles><comp>H6 F4<comp><coord>H 0.775 0.323 0.208 H 0.769 0.815 0.242 H 0.270 0.700 0.458 H 0.320 0.723 0.565 H 0.182 0.233 0.752 H 0.676 0.220 0.787 F 0.780 0.544 0.131 F 0.777 0.999 0.315 F 0.993 0.242 0.675 F 0.455 0.201 0.867 <coord> |
<forme>-0.04<forme><bg>0.0<bg><abc>5.256 6.414 6.414<abc><angles>60.000 90.000 90.000<angles><comp>Mg6 Tl2<comp><coord>Mg 0.750 0.670 0.165 Mg 0.750 0.165 0.670 Mg 0.750 0.165 0.165 Mg 0.250 0.835 0.835 Mg 0.250 0.835 0.330 Mg 0.250 0.330 0.835 Tl 0.750 0.667 0.667 Tl 0.250 0.333 0.333 <coord> |
<forme>-1.03<forme><bg>1.08<bg><abc>4.031 6.262 6.565<abc><angles>90.000 90.000 95.910<angles><comp>Pd2 Se2 O6<comp><coord>Pd 0.500 0.500 0.000 Pd 0.500 0.500 0.500 Se 0.946 0.178 0.250 Se 0.054 0.822 0.750 O 0.799 0.782 0.959 O 0.780 0.443 0.250 O 0.201 0.218 0.041 O 0.201 0.218 0.459 O 0.220 0.557 0.750 O 0.799 0.782 0.541 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>3.983 4.002 10.761<abc><angles>90.000 79.336 90.000<angles><comp>Lu2 Ni1 Ge6<comp><coord>Lu 0.223 0.500 0.553 Lu 0.886 0.500 0.228 Ni 0.443 0.000 0.114 Ge 0.502 0.500 0.996 Ge 0.620 0.500 0.760 Ge 0.002 1.000 0.996 Ge 0.121 1.000 0.758 Ge 0.336 1.000 0.328 Ge 0.760 0.000 0.480 <coord> |
<forme>-3.36<forme><bg>4.92<bg><abc>6.812 6.836 6.812<abc><angles>60.114 90.000 119.886<angles><comp>Cs2 Rb1 Zr1 O1 F5<comp><coord>Cs 0.248 0.496 0.252 Cs 0.748 0.496 0.752 Rb 0.502 0.004 0.498 Zr 0.982 0.964 0.018 O 0.787 0.574 0.213 F 0.221 0.009 0.779 F 0.221 0.009 0.212 F 0.788 0.009 0.779 F 0.214 0.429 0.786 F 0.788 0.009 0.212 <coord> |
<forme>-1.17<forme><bg>0.0<bg><abc>5.704 5.704 5.750<abc><angles>66.937 66.937 65.925<angles><comp>Mg4 Nb2 N6<comp><coord>Mg 0.084 0.246 0.923 Mg 0.754 0.916 0.577 Mg 0.916 0.754 0.077 Mg 0.246 0.084 0.423 Nb 0.411 0.589 0.250 Nb 0.589 0.411 0.750 N 0.098 0.902 0.250 N 0.902 0.098 0.750 N 0.413 0.273 0.574 N 0.727 0.587 0.926 N 0.587 0.727 0.426 N 0.273 0.413 0.074 <coord> |
<forme>-1.48<forme><bg>0.0<bg><abc>3.360 3.360 12.893<abc><angles>90.000 90.000 120.000<angles><comp>Li1 Ta2 S4<comp><coord>Li 0.000 0.000 0.500 Ta 0.000 0.000 0.753 Ta 0.000 0.000 0.247 S 0.667 0.333 0.630 S 0.333 0.667 0.370 S 0.333 0.667 0.129 S 0.667 0.333 0.871 <coord> |
<forme>-2.26<forme><bg>0.0<bg><abc>4.063 4.063 7.332<abc><angles>106.086 106.086 90.000<angles><comp>Ba2 Ir1 O4<comp><coord>Ba 0.355 0.355 0.710 Ba 0.645 0.645 0.290 Ir 0.000 0.000 0.000 O 0.500 0.000 0.000 O 0.155 0.155 0.309 O 0.845 0.845 0.691 O 0.000 0.500 0.000 <coord> |
<forme>-0.44<forme><bg>0.4<bg><abc>6.152 6.152 6.440<abc><angles>90.000 90.000 90.000<angles><comp>Cu2 Hg1 I4<comp><coord>Cu 0.000 0.500 0.500 Cu 0.500 0.000 0.500 Hg 0.000 0.000 0.000 I 0.264 0.264 0.271 I 0.736 0.736 0.271 I 0.264 0.736 0.729 I 0.736 0.264 0.729 <coord> |
<forme>-0.18<forme><bg>0.0<bg><abc>3.305 3.305 6.136<abc><angles>105.622 105.622 90.000<angles><comp>Zr2 Zn1<comp><coord>Zr 0.657 0.657 0.313 Zr 0.343 0.343 0.687 Zn 0.000 0.000 0.000 <coord> |
<forme>-3.03<forme><bg>0.0<bg><abc>6.005 6.005 6.005<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 Tb1 Re1 O6<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 Tb 0.500 0.500 0.500 Re 0.000 0.000 0.000 O 0.766 0.234 0.234 O 0.234 0.234 0.766 O 0.766 0.766 0.234 O 0.234 0.766 0.234 O 0.234 0.766 0.766 O 0.766 0.234 0.766 <coord> |
<forme>-2.93<forme><bg>0.0<bg><abc>6.375 6.375 11.049<abc><angles>73.231 73.231 60.000<angles><comp>Cs4 Na2 Mn2 F12<comp><coord>Cs 0.127 0.127 0.620 Cs 0.873 0.873 0.380 Cs 0.284 0.284 0.147 Cs 0.716 0.716 0.853 Na 0.596 0.596 0.211 Na 0.404 0.404 0.789 Mn 0.500 0.500 0.500 Mn 0.000 0.000 0.000 F 0.187 0.187 0.890 F 0.187 0.737 0.890 F 0.737 0.187 0.890 F 0.263 0.813 0.110 F 0.813 0.813 0.110 F 0.813 0.263 0.110 F 0.396 0.396 0.387 F 0.396 0.822 0.387 F 0.604 0.178 0.613 F 0.604 0.604 0.613 F 0.178 0.604 0.613 F 0.822 0.396 0.387 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>4.355 4.397 16.661<abc><angles>90.000 90.000 90.000<angles><comp>Lu4 Co1 Sn8<comp><coord>Lu 0.250 0.000 0.101 Lu 0.250 0.500 0.602 Lu 0.750 0.500 0.397 Lu 0.750 0.000 0.900 Co 0.250 0.000 0.310 Sn 0.250 0.500 0.237 Sn 0.250 0.000 0.746 Sn 0.750 0.000 0.241 Sn 0.750 0.500 0.755 Sn 0.250 0.000 0.455 Sn 0.250 0.500 0.937 Sn 0.750 0.500 0.064 Sn 0.750 0.000 0.573 <coord> |
<forme>-0.54<forme><bg>0.0<bg><abc>3.002 9.114 9.202<abc><angles>90.000 90.000 90.000<angles><comp>Ti4 Fe2 B4 Ru4 Rh6<comp><coord>Ti 0.000 0.323 0.821 Ti 0.000 0.677 0.179 Ti 0.000 0.823 0.679 Ti 0.000 0.177 0.321 Fe 0.000 0.500 0.500 Fe 0.000 0.000 0.000 B 0.000 0.876 0.372 B 0.000 0.124 0.628 B 0.000 0.376 0.128 B 0.000 0.624 0.872 Ru 0.500 0.427 0.288 Ru 0.500 0.573 0.712 Ru 0.500 0.927 0.212 Ru 0.500 0.073 0.788 Rh 0.500 0.716 0.427 Rh 0.500 0.284 0.573 Rh 0.500 0.784 0.927 Rh 0.500 0.216 0.073 Rh 0.500 0.500 0.000 Rh 0.500 0.000 0.500 <coord> |
<forme>-1.59<forme><bg>2.42<bg><abc>6.197 7.092 7.621<abc><angles>90.000 71.538 90.000<angles><comp>Zn2 Cr4 O14<comp><coord>Zn 0.883 0.844 0.663 Zn 0.117 0.344 0.337 Cr 0.099 0.865 0.211 Cr 0.901 0.365 0.789 Cr 0.652 0.321 0.217 Cr 0.348 0.821 0.783 O 0.401 0.644 0.649 O 0.599 0.144 0.351 O 0.944 0.253 0.587 O 0.056 0.753 0.413 O 0.580 0.959 0.731 O 0.420 0.459 0.269 O 0.807 0.581 0.774 O 0.193 0.081 0.226 O 0.121 0.936 0.764 O 0.879 0.436 0.236 O 0.286 0.744 0.017 O 0.714 0.244 0.983 O 0.862 0.878 0.171 O 0.138 0.378 0.829 <coord> |
<forme>-0.51<forme><bg>0.0<bg><abc>4.399 4.399 10.651<abc><angles>101.918 101.918 90.000<angles><comp>Yb2 Mn2 Sb4<comp><coord>Yb 0.879 0.879 0.758 Yb 0.121 0.121 0.242 Mn 0.250 0.750 0.500 Mn 0.750 0.250 0.500 Sb 0.674 0.674 0.349 Sb 0.326 0.326 0.651 Sb 0.000 0.500 0.000 Sb 0.500 1.000 1.000 <coord> |
<forme>-3.55<forme><bg>0.18<bg><abc>3.813 5.604 7.637<abc><angles>90.000 94.549 90.000<angles><comp>Tb2 Ce2 O8<comp><coord>Tb 0.226 0.250 0.127 Tb 0.774 0.750 0.873 Ce 0.733 0.750 0.375 Ce 0.267 0.250 0.625 O 0.722 0.994 0.118 O 0.722 0.506 0.118 O 0.236 0.498 0.375 O 0.236 0.002 0.375 O 0.764 0.502 0.625 O 0.764 0.998 0.625 O 0.278 0.006 0.882 O 0.278 0.494 0.882 <coord> |
<forme>-2.11<forme><bg>2.46<bg><abc>7.486 7.486 7.486<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Nd1 Cu1 Cl6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Nd 0.500 0.500 0.500 Cu 0.000 0.000 0.000 Cl 0.242 0.758 0.242 Cl 0.242 0.242 0.758 Cl 0.758 0.242 0.758 Cl 0.242 0.758 0.758 Cl 0.758 0.242 0.242 Cl 0.758 0.758 0.242 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>4.260 4.260 21.783<abc><angles>84.389 84.389 60.000<angles><comp>Ge3 Sb2 Te6<comp><coord>Ge 0.541 0.541 0.376 Ge 0.266 0.266 0.202 Ge 0.357 0.357 0.928 Sb 0.084 0.084 0.747 Sb 0.814 0.814 0.558 Te 0.449 0.449 0.652 Te 0.724 0.724 0.827 Te 0.897 0.897 0.310 Te 0.002 0.002 0.993 Te 0.174 0.174 0.477 Te 0.621 0.621 0.137 <coord> |
<forme>-1.04<forme><bg>0.59<bg><abc>3.254 3.254 36.898<abc><angles>90.000 90.000 120.000<angles><comp>Mo2 W2 Se4 S4<comp><coord>Mo 0.000 0.000 0.906 Mo 0.667 0.333 0.718 W 0.000 0.000 0.530 W 0.667 0.333 0.342 Se 0.000 0.000 0.672 Se 0.667 0.333 0.577 Se 0.667 0.333 0.484 Se 0.000 0.000 0.764 S 0.000 0.000 0.300 S 0.667 0.333 0.948 S 0.667 0.333 0.864 S 0.000 0.000 0.384 <coord> |
<forme>-1.11<forme><bg>1.07<bg><abc>4.065 7.443 14.051<abc><angles>79.857 81.684 74.153<angles><comp>Lu3 Tl2 Cu5 Se8<comp><coord>Lu 0.035 0.337 0.593 Lu 0.336 0.502 0.826 Lu 0.200 0.390 0.210 Tl 0.009 0.973 0.010 Tl 0.359 0.867 0.415 Cu 0.728 0.528 0.017 Cu 0.652 0.296 0.401 Cu 0.983 0.793 0.241 Cu 0.784 0.761 0.672 Cu 0.588 0.075 0.749 Se 0.578 0.679 0.165 Se 0.325 0.332 0.017 Se 0.694 0.758 0.853 Se 0.808 0.125 0.258 Se 0.053 0.497 0.397 Se 0.677 0.079 0.567 Se 0.387 0.604 0.623 Se 0.986 0.233 0.795 <coord> |
<forme>-0.41<forme><bg>0.06<bg><abc>4.280 4.280 4.280<abc><angles>90.000 90.000 90.000<angles><comp>Ba1 B6<comp><coord>Ba 0.000 0.000 0.000 B 0.205 0.500 0.500 B 0.500 0.500 0.795 B 0.500 0.500 0.205 B 0.500 0.205 0.500 B 0.500 0.795 0.500 B 0.795 0.500 0.500 <coord> |
<forme>-3.09<forme><bg>0.0<bg><abc>5.817 6.072 5.890<abc><angles>90.000 75.938 90.000<angles><comp>Li4 Ce4 O8<comp><coord>Li 0.182 0.132 0.334 Li 0.318 0.632 0.666 Li 0.818 0.868 0.666 Li 0.682 0.368 0.334 Ce 0.305 0.073 0.799 Ce 0.805 0.427 0.799 Ce 0.695 0.927 0.201 Ce 0.195 0.573 0.201 O 0.986 0.247 0.090 O 0.694 0.137 0.567 O 0.514 0.747 0.910 O 0.014 0.753 0.910 O 0.306 0.863 0.433 O 0.806 0.637 0.433 O 0.194 0.363 0.567 O 0.486 0.253 0.090 <coord> |
<forme>-0.76<forme><bg>1.04<bg><abc>6.584 6.584 6.584<abc><angles>106.655 106.655 115.264<angles><comp>Na2 Tl2 Se4<comp><coord>Na 0.250 0.250 1.000 Na 0.750 0.750 1.000 Tl 0.250 0.750 0.500 Tl 0.750 0.250 0.500 Se 0.187 0.313 0.500 Se 0.813 0.687 0.500 Se 0.313 0.813 0.127 Se 0.687 0.187 0.873 <coord> |
<forme>-0.59<forme><bg>0.0<bg><abc>4.258 4.258 8.197<abc><angles>90.000 90.000 120.000<angles><comp>La2 Cu2 Si2<comp><coord>La 0.000 0.000 0.500 La 0.000 0.000 0.000 Cu 0.667 0.333 0.250 Cu 0.333 0.667 0.750 Si 0.333 0.667 0.250 Si 0.667 0.333 0.750 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>4.087 4.122 8.665<abc><angles>103.759 90.000 90.000<angles><comp>Ho2 Ge4 Pd1<comp><coord>Ho 0.250 0.103 0.206 Ho 0.750 0.898 0.796 Ge 0.250 0.462 0.924 Ge 0.750 0.555 0.110 Ge 0.250 0.731 0.462 Ge 0.750 0.234 0.467 Pd 0.250 0.318 0.635 <coord> |
<forme>-1.98<forme><bg>1.6<bg><abc>5.046 5.096 5.265<abc><angles>90.000 80.164 90.000<angles><comp>Nb4 N4 O4<comp><coord>Nb 0.294 0.451 0.280 Nb 0.706 0.951 0.220 Nb 0.706 0.549 0.720 Nb 0.294 0.049 0.780 N 0.444 0.745 0.025 N 0.556 0.245 0.475 N 0.556 0.255 0.975 N 0.444 0.755 0.525 O 0.061 0.322 0.650 O 0.939 0.822 0.850 O 0.939 0.678 0.350 O 0.061 0.178 0.150 <coord> |
<forme>-1.12<forme><bg>0.0<bg><abc>4.061 4.061 5.754<abc><angles>110.668 110.668 90.000<angles><comp>Ho1 Si2 Rh2<comp><coord>Ho 0.000 0.000 0.000 Si 0.621 0.621 0.242 Si 0.379 0.379 0.758 Rh 0.750 0.250 0.500 Rh 0.250 0.750 0.500 <coord> |
<forme>-0.57<forme><bg>0.09<bg><abc>6.040 6.095 7.274<abc><angles>114.646 114.408 90.262<angles><comp>Ga2 Cu1 Ag1 Te2 Se2<comp><coord>Ga 0.759 0.259 0.518 Ga 0.491 0.491 0.982 Cu 0.993 0.993 0.985 Ag 0.258 0.758 0.517 Te 0.866 0.356 0.237 Te 0.371 0.881 0.237 Se 0.646 0.618 0.762 Se 0.116 0.144 0.762 <coord> |
<forme>-3.61<forme><bg>4.35<bg><abc>5.173 5.473 5.734<abc><angles>110.496 107.008 92.413<angles><comp>Ti2 F8<comp><coord>Ti 0.996 0.530 0.002 Ti 0.430 0.103 0.003 F 0.105 0.167 0.783 F 0.334 0.458 0.215 F 0.959 0.823 0.238 F 0.791 0.324 0.146 F 0.682 0.441 0.739 F 0.550 0.919 0.747 F 0.171 0.718 0.857 F 0.498 0.021 0.282 <coord> |
<forme>-3.04<forme><bg>3.12<bg><abc>3.543 3.543 6.605<abc><angles>74.445 74.445 60.000<angles><comp>K1 Gd1 O2<comp><coord>K 0.000 0.000 0.000 Gd 0.500 0.500 0.500 O 0.229 0.229 0.312 O 0.771 0.771 0.688 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>4.286 5.308 5.308<abc><angles>120.000 90.000 90.000<angles><comp>La1 Zn4 Ni1<comp><coord>La 0.000 0.000 0.000 Zn 1.000 0.333 0.667 Zn 0.500 0.993 0.496 Zn 0.500 0.504 0.007 Zn 0.500 0.504 0.496 Ni 0.000 0.667 0.333 <coord> |
<forme>-0.08<forme><bg>0.0<bg><abc>4.373 4.373 4.373<abc><angles>60.000 60.000 60.000<angles><comp>Sn1 Sb1<comp><coord>Sn 0.500 0.500 0.500 Sb 0.000 0.000 0.000 <coord> |
<forme>-0.74<forme><bg>0.0<bg><abc>6.304 8.420 8.420<abc><angles>120.000 90.000 90.000<angles><comp>Tm10 Ge6 C2<comp><coord>Tm 0.000 0.333 0.667 Tm 0.000 0.667 0.333 Tm 0.500 0.667 0.333 Tm 0.500 0.333 0.667 Tm 0.250 0.222 0.000 Tm 0.250 0.778 0.778 Tm 0.250 0.000 0.222 Tm 0.750 0.778 0.000 Tm 0.750 0.222 0.222 Tm 0.750 0.000 0.778 Ge 0.250 0.597 1.000 Ge 0.250 0.403 0.403 Ge 0.250 0.000 0.597 Ge 0.750 0.403 0.000 Ge 0.750 0.597 0.597 Ge 0.750 0.000 0.403 C 0.000 0.000 0.000 C 0.500 0.000 0.000 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>3.952 3.952 3.952<abc><angles>90.000 90.000 90.000<angles><comp>Hf1 Rh3<comp><coord>Hf 0.000 0.000 0.000 Rh 0.500 0.000 0.500 Rh 0.000 0.500 0.500 Rh 0.500 0.500 0.000 <coord> |
<forme>-0.73<forme><bg>0.0<bg><abc>5.303 5.433 6.766<abc><angles>90.000 90.000 90.000<angles><comp>Cd4 Si4 N8<comp><coord>Cd 0.991 0.577 0.876 Cd 0.491 0.423 0.124 Cd 0.491 0.923 0.376 Cd 0.991 0.077 0.624 Si 0.994 0.562 0.375 Si 0.494 0.438 0.625 Si 0.494 0.938 0.875 Si 0.994 0.062 0.125 N 0.418 0.625 0.830 N 0.918 0.375 0.170 N 0.918 0.875 0.330 N 0.418 0.125 0.670 N 0.320 0.537 0.420 N 0.820 0.463 0.580 N 0.820 0.963 0.920 N 0.320 0.037 0.080 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>4.672 4.672 4.672<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Zr2 Os1<comp><coord>Li 0.500 0.500 0.500 Zr 0.750 0.750 0.750 Zr 0.250 0.250 0.250 Os 0.000 0.000 0.000 <coord> |
<forme>-0.41<forme><bg>0.18<bg><abc>4.150 4.150 4.150<abc><angles>90.000 90.000 90.000<angles><comp>Ca1 B6<comp><coord>Ca 0.000 0.000 0.000 B 0.202 0.500 0.500 B 0.500 0.500 0.798 B 0.500 0.500 0.202 B 0.500 0.202 0.500 B 0.500 0.798 0.500 B 0.798 0.500 0.500 <coord> |
<forme>-0.91<forme><bg>0.0<bg><abc>4.186 4.209 8.674<abc><angles>75.959 90.000 90.000<angles><comp>Ce2 Si4 Ir2<comp><coord>Ce 0.250 0.894 0.212 Ce 0.750 0.106 0.788 Si 0.250 0.536 0.928 Si 0.750 0.464 0.072 Si 0.250 0.249 0.501 Si 0.750 0.751 0.499 Ir 0.250 0.677 0.646 Ir 0.750 0.323 0.354 <coord> |
<forme>-0.86<forme><bg>0.02<bg><abc>6.775 8.504 8.504<abc><angles>76.187 89.085 89.085<angles><comp>Eu6 Ga4 As8<comp><coord>Eu 0.969 0.752 0.003 Eu 0.531 0.997 0.248 Eu 0.031 0.248 0.997 Eu 0.469 0.003 0.752 Eu 0.250 0.600 0.400 Eu 0.750 0.400 0.600 Ga 0.416 0.582 0.825 Ga 0.084 0.175 0.418 Ga 0.584 0.418 0.175 Ga 0.916 0.825 0.582 As 0.475 0.715 0.061 As 0.025 0.939 0.285 As 0.525 0.285 0.939 As 0.975 0.061 0.715 As 0.067 0.565 0.743 As 0.433 0.257 0.435 As 0.933 0.435 0.257 As 0.567 0.743 0.565 <coord> |
<forme>-0.55<forme><bg>0.0<bg><abc>4.985 4.985 4.985<abc><angles>60.000 60.000 60.000<angles><comp>Th1 Zn1 Au2<comp><coord>Th 0.500 0.500 0.500 Zn 0.000 0.000 0.000 Au 0.250 0.250 0.250 Au 0.750 0.750 0.750 <coord> |
<forme>-2.73<forme><bg>1.16<bg><abc>5.201 5.685 5.872<abc><angles>70.412 75.691 89.771<angles><comp>V2 Zn2 F8<comp><coord>V 0.500 0.000 0.000 V 0.000 0.500 0.000 Zn 0.303 0.334 0.441 Zn 0.697 0.666 0.559 F 0.303 0.042 0.723 F 0.213 0.662 0.195 F 0.697 0.958 0.277 F 0.219 0.208 0.183 F 0.787 0.338 0.805 F 0.293 0.551 0.671 F 0.781 0.792 0.817 F 0.707 0.449 0.329 <coord> |
<forme>-3.48<forme><bg>0.0<bg><abc>5.626 5.626 6.834<abc><angles>90.000 90.000 120.000<angles><comp>Rb1 La2 Ti3 O9<comp><coord>Rb 0.000 0.000 0.000 La 0.333 0.667 0.668 La 0.667 0.333 0.332 Ti 0.000 0.000 0.500 Ti 0.333 0.667 0.162 Ti 0.667 0.333 0.838 O 0.172 0.345 0.346 O 0.500 0.000 0.000 O 0.828 0.655 0.654 O 0.345 0.172 0.654 O 0.655 0.828 0.346 O 0.000 0.500 0.000 O 0.172 0.828 0.346 O 0.500 0.500 0.000 O 0.828 0.172 0.654 <coord> |
<forme>-1.65<forme><bg>0.28<bg><abc>6.705 6.859 8.048<abc><angles>90.000 72.235 90.000<angles><comp>Eu4 Ge2 S8<comp><coord>Eu 0.719 0.262 0.947 Eu 0.281 0.762 0.053 Eu 0.756 0.278 0.436 Eu 0.244 0.778 0.564 Ge 0.264 0.234 0.805 Ge 0.736 0.734 0.195 S 0.080 0.183 0.085 S 0.920 0.683 0.915 S 0.069 0.194 0.624 S 0.931 0.694 0.376 S 0.469 0.499 0.750 S 0.531 0.999 0.250 S 0.490 0.500 0.261 S 0.510 1.000 0.739 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>4.475 4.475 4.475<abc><angles>60.000 60.000 60.000<angles><comp>Mg1 Ta1 Ir2<comp><coord>Mg 0.500 0.500 0.500 Ta 0.000 0.000 0.000 Ir 0.750 0.750 0.750 Ir 0.250 0.250 0.250 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>4.513 5.760 5.760<abc><angles>79.559 66.938 66.938<angles><comp>Na2 Ge2 Au2<comp><coord>Na 0.719 0.781 0.781 Na 0.593 0.407 0.407 Ge 0.323 0.352 0.001 Ge 0.323 0.001 0.352 Au 1.000 0.203 0.798 Au 1.000 0.798 0.203 <coord> |
<forme>-0.48<forme><bg>0.0<bg><abc>4.415 4.415 4.684<abc><angles>90.000 90.000 120.000<angles><comp>Sr1 Ga2 H2<comp><coord>Sr 0.000 0.000 0.000 Ga 0.667 0.333 0.537 Ga 0.333 0.667 0.463 H 0.667 0.333 0.901 H 0.333 0.667 0.099 <coord> |
<forme>-1.43<forme><bg>1.23<bg><abc>8.242 8.242 8.242<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Tl1 As1 Br6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Tl 0.500 0.500 0.500 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>-2.73<forme><bg>0.0<bg><abc>3.921 3.921 14.878<abc><angles>90.000 90.000 89.991<angles><comp>Sr4 Mn2 Cl2 O6<comp><coord>Sr 0.750 0.250 0.091 Sr 0.250 0.750 0.909 Sr 0.750 0.250 0.342 Sr 0.250 0.750 0.658 Mn 0.250 0.750 0.210 Mn 0.750 0.250 0.790 Cl 0.250 0.750 0.423 Cl 0.750 0.250 0.577 O 0.750 0.750 0.231 O 0.250 0.250 0.231 O 0.250 0.250 0.769 O 0.750 0.750 0.769 O 0.250 0.750 0.074 O 0.750 0.250 0.926 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>5.899 7.456 7.456<abc><angles>60.000 90.000 90.000<angles><comp>Eu6 Sn2<comp><coord>Eu 0.750 0.650 0.175 Eu 0.750 0.175 0.175 Eu 0.750 0.175 0.650 Eu 0.250 0.350 0.825 Eu 0.250 0.825 0.825 Eu 0.250 0.825 0.350 Sn 0.250 0.333 0.333 Sn 0.750 0.667 0.667 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>4.308 5.336 5.336<abc><angles>120.000 90.000 90.000<angles><comp>U1 Ga3 Pd2<comp><coord>U 0.000 0.000 0.000 Ga 0.500 0.500 0.500 Ga 0.500 0.500 0.000 Ga 0.500 0.000 0.500 Pd 1.000 0.667 0.333 Pd 0.000 0.333 0.667 <coord> |
<forme>-2.19<forme><bg>1.14<bg><abc>6.059 6.059 6.069<abc><angles>60.444 60.150 89.955<angles><comp>V4 Fe2 O8<comp><coord>V 0.499 0.500 0.501 V 1.000 0.500 0.000 V 0.500 0.001 0.499 V 0.501 0.500 0.999 Fe 0.122 0.873 0.250 Fe 0.879 0.120 0.750 O 0.739 0.260 0.477 O 0.263 0.281 0.971 O 0.259 0.737 0.980 O 0.717 0.740 0.529 O 0.744 0.264 0.018 O 0.284 0.266 0.469 O 0.260 0.740 0.524 O 0.733 0.718 0.032 <coord> |
<forme>-0.08<forme><bg>0.0<bg><abc>3.599 3.599 3.824<abc><angles>90.000 90.000 90.000<angles><comp>Mn1 Ga1 Fe2<comp><coord>Mn 0.000 0.000 0.000 Ga 0.500 0.500 0.000 Fe 0.000 0.500 0.500 Fe 0.500 0.000 0.500 <coord> |
<forme>-3.08<forme><bg>0.41<bg><abc>5.489 5.604 7.848<abc><angles>90.000 89.804 90.000<angles><comp>Ca4 Ti2 W2 O12<comp><coord>Ca 0.011 0.450 0.249 Ca 0.489 0.950 0.251 Ca 0.989 0.550 0.751 Ca 0.511 0.050 0.749 Ti 0.500 0.500 0.500 Ti 0.000 0.000 0.000 W 0.500 0.500 0.000 W 0.000 0.000 0.500 O 0.294 0.203 0.046 O 0.206 0.703 0.454 O 0.706 0.797 0.954 O 0.794 0.297 0.546 O 0.806 0.288 0.955 O 0.694 0.788 0.545 O 0.194 0.712 0.045 O 0.306 0.212 0.455 O 0.910 0.024 0.245 O 0.590 0.524 0.255 O 0.410 0.476 0.745 O 0.090 0.976 0.755 <coord> |
<forme>-0.61<forme><bg>0.0<bg><abc>4.251 4.251 5.908<abc><angles>111.069 111.069 90.047<angles><comp>Nd1 Ga3 Ni1<comp><coord>Nd 0.004 0.004 0.009 Ga 0.756 0.256 0.513 Ga 0.256 0.756 0.513 Ga 0.590 0.590 0.180 Ni 0.362 0.362 0.724 <coord> |
<forme>-0.06<forme><bg>0.0<bg><abc>3.250 5.458 6.369<abc><angles>115.369 104.780 90.000<angles><comp>Mg1 Hg3<comp><coord>Mg 0.750 0.414 0.500 Hg 0.028 0.047 0.055 Hg 0.472 0.492 0.945 Hg 0.250 0.880 0.500 <coord> |
<forme>-0.59<forme><bg>0.0<bg><abc>6.083 6.426 6.688<abc><angles>90.000 105.060 90.000<angles><comp>La4 Ga4 Ni4<comp><coord>La 0.201 0.148 0.916 La 0.299 0.648 0.584 La 0.799 0.852 0.084 La 0.701 0.352 0.416 Ga 0.182 0.137 0.421 Ga 0.318 0.637 0.079 Ga 0.818 0.863 0.579 Ga 0.682 0.363 0.921 Ni 0.455 0.908 0.322 Ni 0.045 0.408 0.178 Ni 0.545 0.092 0.678 Ni 0.955 0.592 0.822 <coord> |
<forme>-0.88<forme><bg>0.0<bg><abc>4.200 4.200 5.842<abc><angles>111.069 111.069 90.000<angles><comp>Ce1 Si2 Pd2<comp><coord>Ce 0.000 0.000 0.000 Si 0.617 0.617 0.234 Si 0.383 0.383 0.766 Pd 0.250 0.750 0.500 Pd 0.750 0.250 0.500 <coord> |
<forme>-3.04<forme><bg>1.0<bg><abc>5.330 5.868 7.499<abc><angles>90.000 90.000 90.000<angles><comp>Dy4 Mn4 O12<comp><coord>Dy 0.019 0.918 0.750 Dy 0.519 0.582 0.250 Dy 0.481 0.418 0.750 Dy 0.981 0.082 0.250 Mn 0.500 0.000 0.500 Mn 0.000 0.500 0.500 Mn 0.000 0.500 0.000 Mn 0.500 0.000 0.000 O 0.701 0.325 0.443 O 0.201 0.175 0.557 O 0.799 0.825 0.057 O 0.299 0.675 0.943 O 0.299 0.675 0.557 O 0.799 0.825 0.443 O 0.201 0.175 0.943 O 0.701 0.325 0.057 O 0.119 0.458 0.250 O 0.619 0.042 0.750 O 0.381 0.958 0.250 O 0.881 0.542 0.750 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>6.015 6.015 7.726<abc><angles>90.000 90.000 90.000<angles><comp>Ce2 Ga12<comp><coord>Ce 0.000 0.500 0.000 Ce 0.500 0.000 0.000 Ga 0.684 0.816 0.352 Ga 0.316 0.184 0.352 Ga 0.000 0.000 0.161 Ga 0.000 0.000 0.839 Ga 0.500 0.500 0.839 Ga 0.500 0.500 0.161 Ga 0.184 0.316 0.648 Ga 0.684 0.184 0.648 Ga 0.316 0.816 0.648 Ga 0.184 0.684 0.352 Ga 0.816 0.316 0.352 Ga 0.816 0.684 0.648 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>4.189 4.189 4.189<abc><angles>60.000 60.000 60.000<angles><comp>Ta1 Zn1 Co2<comp><coord>Ta 0.500 0.500 0.500 Zn 0.000 0.000 0.000 Co 0.250 0.250 0.250 Co 0.750 0.750 0.750 <coord> |
<forme>-2.01<forme><bg>3.21<bg><abc>6.484 6.484 6.484<abc><angles>83.847 83.847 83.847<angles><comp>Na6 V2 S2 O6<comp><coord>Na 0.293 0.906 0.603 Na 0.406 0.793 0.103 Na 0.793 0.103 0.406 Na 0.603 0.293 0.906 Na 0.906 0.603 0.293 Na 0.103 0.406 0.793 V 0.318 0.318 0.318 V 0.818 0.818 0.818 S 0.500 0.500 0.500 S 0.000 0.000 0.000 O 0.463 0.084 0.278 O 0.278 0.463 0.084 O 0.084 0.278 0.463 O 0.778 0.584 0.963 O 0.584 0.963 0.778 O 0.963 0.778 0.584 <coord> |
<forme>-1.78<forme><bg>0.46<bg><abc>2.928 4.428 4.488<abc><angles>89.999 90.000 89.963<angles><comp>Mn2 O4<comp><coord>Mn 0.000 1.000 1.000 Mn 0.500 0.500 0.500 O 0.500 0.796 0.184 O 1.000 0.704 0.684 O 0.000 0.296 0.316 O 0.500 0.204 0.816 <coord> |
<forme>-2.2<forme><bg>5.13<bg><abc>4.274 7.890 11.924<abc><angles>90.000 100.324 90.000<angles><comp>Cs4 Li2 Cl6<comp><coord>Cs 0.997 0.250 0.994 Cs 0.822 0.750 0.644 Cs 0.178 0.250 0.356 Cs 0.003 0.750 0.006 Li 0.352 0.250 0.704 Li 0.648 0.750 0.296 Cl 0.202 0.750 0.404 Cl 0.798 0.250 0.596 Cl 0.411 0.002 0.823 Cl 0.589 0.998 0.177 Cl 0.411 0.498 0.823 Cl 0.589 0.502 0.177 <coord> |
<forme>-2.39<forme><bg>2.09<bg><abc>4.856 5.912 5.912<abc><angles>60.000 90.000 90.000<angles><comp>K2 Pd1 F6<comp><coord>K 0.281 0.333 0.333 K 0.719 0.667 0.667 Pd 0.000 0.000 0.000 F 0.220 0.840 0.320 F 0.220 0.320 0.840 F 0.220 0.840 0.840 F 0.780 0.160 0.680 F 0.780 0.680 0.160 F 0.780 0.160 0.160 <coord> |
<forme>-2.55<forme><bg>0.28<bg><abc>6.932 7.149 7.248<abc><angles>94.877 100.198 108.303<angles><comp>Rb3 Ru1 F6<comp><coord>Rb 0.000 0.000 0.500 Rb 0.000 0.500 0.000 Rb 0.500 1.000 1.000 Ru 0.000 0.000 0.000 F 0.814 0.080 0.793 F 0.186 0.920 0.207 F 0.065 0.813 0.807 F 0.935 0.187 0.193 F 0.761 0.771 0.044 F 0.239 0.229 0.956 <coord> |
<forme>-2.38<forme><bg>1.41<bg><abc>5.864 5.939 5.948<abc><angles>119.623 90.000 119.584<angles><comp>Li3 V1 Cr3 O8<comp><coord>Li 0.500 0.000 0.500 Li 0.500 0.500 0.500 Li 0.000 0.500 0.500 V 0.000 0.000 0.000 Cr 0.500 0.000 0.000 Cr 0.000 0.500 0.000 Cr 0.500 0.500 0.000 O 0.267 0.533 0.786 O 0.255 0.020 0.784 O 0.766 0.020 0.784 O 0.238 0.476 0.225 O 0.762 0.524 0.775 O 0.234 0.980 0.216 O 0.745 0.980 0.216 O 0.733 0.467 0.214 <coord> |
<forme>-0.13<forme><bg>0.0<bg><abc>3.139 3.139 10.178<abc><angles>98.872 98.872 90.000<angles><comp>Ti3 Cu4<comp><coord>Ti 0.707 0.707 0.415 Ti 0.293 0.293 0.585 Ti 0.000 0.000 0.000 Cu 0.570 0.570 0.141 Cu 0.430 0.430 0.859 Cu 0.865 0.865 0.730 Cu 0.135 0.135 0.270 <coord> |
<forme>-3.26<forme><bg>4.57<bg><abc>7.517 7.651 7.651<abc><angles>61.631 60.577 60.577<angles><comp>Cs2 Mg2 In2 F12<comp><coord>Cs 0.607 0.643 0.143 Cs 0.393 0.357 0.857 Mg 0.500 0.000 0.500 Mg 0.000 1.000 0.500 In 1.000 0.500 0.500 In 0.000 0.000 0.000 F 0.918 0.314 0.442 F 0.082 0.058 0.186 F 0.674 0.686 0.558 F 0.326 0.942 0.814 F 0.082 0.686 0.558 F 0.918 0.942 0.814 F 0.326 0.314 0.442 F 0.674 0.058 0.186 F 0.083 0.667 0.167 F 0.917 0.333 0.833 F 0.301 0.949 0.449 F 0.699 0.051 0.551 <coord> |
<forme>-1.49<forme><bg>0.0<bg><abc>5.868 5.868 11.358<abc><angles>90.000 90.000 120.000<angles><comp>Ti6 Ni2 S12<comp><coord>Ti 0.333 0.667 0.506 Ti 0.333 0.667 0.994 Ti 0.667 0.333 0.494 Ti 0.667 0.333 0.006 Ti 0.000 0.000 0.500 Ti 0.000 0.000 0.000 Ni 0.333 0.667 0.250 Ni 0.667 0.333 0.750 S 0.331 0.995 0.128 S 0.665 0.669 0.128 S 0.005 0.335 0.128 S 0.665 0.995 0.372 S 0.005 0.669 0.372 S 0.331 0.335 0.372 S 0.669 0.005 0.872 S 0.335 0.331 0.872 S 0.669 0.665 0.628 S 0.995 0.331 0.628 S 0.335 0.005 0.628 S 0.995 0.665 0.872 <coord> |
<forme>-2.02<forme><bg>0.0<bg><abc>4.100 4.100 7.241<abc><angles>73.556 73.556 60.000<angles><comp>Sm1 Y1 Se2<comp><coord>Sm 0.000 0.000 0.000 Y 0.500 0.500 0.500 Se 0.247 0.247 0.260 Se 0.753 0.753 0.740 <coord> |
<forme>-0.44<forme><bg>0.0<bg><abc>5.667 7.325 7.325<abc><angles>120.000 90.000 90.000<angles><comp>Ba2 Sn6<comp><coord>Ba 0.750 0.667 0.333 Ba 0.250 0.333 0.667 Sn 0.750 0.721 0.860 Sn 0.250 0.860 0.140 Sn 0.250 0.860 0.721 Sn 0.750 0.140 0.279 Sn 0.750 0.140 0.860 Sn 0.250 0.279 0.140 <coord> |
<forme>-2.06<forme><bg>0.0<bg><abc>3.752 6.243 6.718<abc><angles>105.705 90.000 107.486<angles><comp>V3 Cu1 O8<comp><coord>V 0.604 0.208 0.738 V 0.393 0.786 0.273 V 0.698 0.396 0.311 Cu 0.299 0.597 0.702 O 0.868 0.736 0.316 O 0.753 0.506 0.631 O 0.640 0.279 0.004 O 0.554 0.107 0.345 O 0.454 0.907 0.648 O 0.369 0.739 0.021 O 0.236 0.471 0.310 O 0.133 0.267 0.702 <coord> |
<forme>-1.11<forme><bg>1.59<bg><abc>3.904 3.904 6.927<abc><angles>90.000 90.000 120.000<angles><comp>Ca2 H3 Br1<comp><coord>Ca 0.333 0.667 0.816 Ca 0.667 0.333 0.184 H 0.333 0.667 0.146 H 0.667 0.333 0.854 H 0.000 0.000 0.000 Br 0.000 0.000 0.500 <coord> |
<forme>-0.93<forme><bg>0.0<bg><abc>3.923 9.345 9.345<abc><angles>60.643 77.883 77.883<angles><comp>Er7 Te2 Ir2<comp><coord>Er 0.132 0.283 0.453 Er 0.868 0.547 0.717 Er 0.315 0.309 0.060 Er 0.685 0.940 0.691 Er 0.354 0.914 0.379 Er 0.646 0.621 0.086 Er 0.000 1.000 0.000 Te 0.500 0.264 0.736 Te 0.000 0.662 0.338 Ir 0.238 0.688 0.836 Ir 0.762 0.164 0.312 <coord> |
<forme>-0.51<forme><bg>0.0<bg><abc>4.626 4.626 9.839<abc><angles>90.000 90.000 90.000<angles><comp>Ce2 Zn1 Bi4<comp><coord>Ce 0.500 0.000 0.738 Ce 0.000 0.500 0.262 Zn 0.500 0.500 0.500 Bi 0.500 0.000 0.335 Bi 0.000 0.500 0.665 Bi 0.500 0.500 0.000 Bi 0.000 0.000 0.000 <coord> |
<forme>-2.53<forme><bg>0.0<bg><abc>5.658 5.808 7.862<abc><angles>90.000 89.547 90.000<angles><comp>Sr2 Li2 Eu2 Te2 O12<comp><coord>Sr 0.992 0.292 0.750 Sr 0.492 0.708 0.250 Li 0.500 0.255 0.001 Li 0.000 0.745 0.501 Eu 0.509 0.807 0.752 Eu 0.009 0.193 0.252 Te 0.000 0.748 1.000 Te 0.500 0.252 0.500 O 0.930 0.780 0.241 O 0.803 0.019 0.958 O 0.773 0.052 0.535 O 0.717 0.567 0.953 O 0.678 0.533 0.549 O 0.597 0.272 0.261 O 0.430 0.220 0.741 O 0.303 0.981 0.458 O 0.273 0.948 0.035 O 0.217 0.433 0.453 O 0.178 0.467 0.049 O 0.097 0.728 0.761 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>4.342 5.660 7.437<abc><angles>90.000 90.000 112.552<angles><comp>Tb2 In4 Ni2<comp><coord>Tb 0.429 0.859 0.250 Tb 0.571 0.141 0.750 In 0.141 0.281 0.448 In 0.141 0.281 0.052 In 0.859 0.719 0.948 In 0.859 0.719 0.552 Ni 0.284 0.567 0.750 Ni 0.716 0.433 0.250 <coord> |
<forme>-0.37<forme><bg>0.0<bg><abc>4.218 4.218 4.218<abc><angles>104.934 104.934 118.986<angles><comp>Cr4 B2<comp><coord>Cr 0.666 0.166 0.832 Cr 0.166 0.334 0.500 Cr 0.334 0.834 0.168 Cr 0.834 0.666 0.500 B 0.250 0.250 1.000 B 0.750 0.750 1.000 <coord> |
<forme>-0.48<forme><bg>0.0<bg><abc>4.541 4.541 18.714<abc><angles>90.000 90.000 90.000<angles><comp>Tb4 Ni3 Bi8<comp><coord>Tb 0.500 0.000 0.387 Tb 0.500 0.000 0.887 Tb 0.000 0.500 0.113 Tb 0.000 0.500 0.613 Ni 0.500 0.500 0.500 Ni 0.000 0.000 0.000 Ni 0.000 0.000 0.500 Bi 0.500 0.000 0.069 Bi 0.500 0.000 0.575 Bi 0.000 0.500 0.425 Bi 0.000 0.500 0.931 Bi 0.500 0.500 0.249 Bi 0.500 0.500 0.751 Bi 0.000 0.000 0.249 Bi 0.000 0.000 0.751 <coord> |
<forme>-0.61<forme><bg>0.32<bg><abc>5.967 5.981 6.056<abc><angles>90.000 67.917 90.000<angles><comp>P4 Ru4 Se4<comp><coord>P 0.144 0.871 0.119 P 0.856 0.371 0.381 P 0.856 0.129 0.881 P 0.144 0.629 0.619 Ru 0.264 0.511 0.210 Ru 0.736 0.011 0.290 Ru 0.736 0.489 0.790 Ru 0.264 0.989 0.710 Se 0.334 0.125 0.307 Se 0.666 0.625 0.193 Se 0.666 0.875 0.693 Se 0.334 0.375 0.807 <coord> |
<forme>-2.57<forme><bg>0.16<bg><abc>3.618 5.175 11.476<abc><angles>90.000 90.000 90.000<angles><comp>Ca1 V4 O10<comp><coord>Ca 0.000 0.852 0.500 V 0.000 0.593 0.851 V 0.500 0.393 0.651 V 0.500 0.393 0.349 V 0.000 0.593 0.149 O 0.500 0.563 0.500 O 0.000 0.478 0.000 O 0.500 0.488 0.821 O 0.000 0.529 0.676 O 0.500 0.488 0.179 O 0.000 0.529 0.324 O 0.000 0.902 0.140 O 0.500 0.074 0.379 O 0.500 0.074 0.621 O 0.000 0.902 0.860 <coord> |
<forme>-0.52<forme><bg>0.0<bg><abc>3.733 3.733 3.733<abc><angles>90.000 90.000 90.000<angles><comp>Y1 Hg1<comp><coord>Y 0.000 0.000 0.000 Hg 0.500 0.500 0.500 <coord> |
<forme>-0.15<forme><bg>0.0<bg><abc>3.648 3.682 7.231<abc><angles>90.000 90.000 90.000<angles><comp>Fe3 Ni3 Pt2<comp><coord>Fe 0.500 0.500 0.254 Fe 0.500 0.500 0.746 Fe 0.000 0.500 0.500 Ni 0.000 0.500 0.000 Ni 0.500 0.000 0.500 Ni 0.500 0.000 0.000 Pt 0.000 0.000 0.250 Pt 0.000 0.000 0.750 <coord> |
<forme>-0.42<forme><bg>0.62<bg><abc>4.531 4.531 4.531<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Zn1 Sb1<comp><coord>Li 0.500 0.500 0.500 Zn 0.000 0.000 0.000 Sb 0.750 0.750 0.750 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>4.072 5.478 8.834<abc><angles>72.954 76.677 68.186<angles><comp>Y4 Ga1 Co4<comp><coord>Y 0.745 0.849 0.661 Y 0.255 0.151 0.339 Y 0.390 0.335 0.884 Y 0.610 0.665 0.116 Ga 0.500 0.500 0.500 Co 0.037 0.280 0.646 Co 0.963 0.720 0.354 Co 0.089 0.943 0.879 Co 0.911 0.057 0.121 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.