text stringlengths 140 560 |
|---|
<forme>-3.91<forme><bg>4.13<bg><abc>5.661 6.902 7.899<abc><angles>111.706 90.000 114.207<angles><comp>La4 Hf2 O10<comp><coord>La 0.631 0.288 0.769 La 0.657 0.288 0.269 La 0.343 0.712 0.731 La 0.369 0.712 0.231 Hf 0.000 0.000 0.500 Hf 0.000 0.000 0.000 O 0.760 0.149 0.967 O 0.389 0.149 0.467 O 0.010 0.332 0.634 O 0.678 0.668 0.866 O 0.322 0.332 0.134 O 0.990 0.668 0.366 O 0.611 0.851 0.533 O 0.157 0.000 0.750 O 0.240 0.851 0.033 O 0.843 0.000 0.250 <coord> |
<forme>-2.56<forme><bg>2.12<bg><abc>5.954 5.954 5.954<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Li1 Ir1 F6<comp><coord>Rb 0.750 0.750 0.750 Rb 0.250 0.250 0.250 Li 0.500 0.500 0.500 Ir 0.000 0.000 0.000 F 0.244 0.244 0.756 F 0.756 0.244 0.756 F 0.756 0.756 0.244 F 0.244 0.756 0.756 F 0.756 0.244 0.244 F 0.244 0.756 0.244 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>4.106 4.106 4.106<abc><angles>90.000 90.000 90.000<angles><comp>Sc1 Rh3 C1<comp><coord>Sc 0.000 0.000 0.000 Rh 0.000 0.500 0.500 Rh 0.500 0.000 0.500 Rh 0.500 0.500 0.000 C 0.500 0.500 0.500 <coord> |
<forme>-2.13<forme><bg>1.34<bg><abc>3.368 3.368 12.212<abc><angles>90.000 90.000 120.000<angles><comp>In2 Ga2 O6<comp><coord>In 0.000 0.000 0.500 In 0.000 0.000 0.000 Ga 0.333 0.667 0.250 Ga 0.667 0.333 0.750 O 0.667 0.333 0.587 O 0.333 0.667 0.087 O 0.333 0.667 0.413 O 0.667 0.333 0.913 O 0.000 0.000 0.750 O 0.000 0.000 0.250 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>4.514 5.910 5.910<abc><angles>120.000 90.000 90.000<angles><comp>Pa2 Si6<comp><coord>Pa 0.750 0.333 0.667 Pa 0.250 0.667 0.333 Si 0.250 0.144 0.288 Si 0.250 0.712 0.856 Si 0.250 0.144 0.856 Si 0.750 0.856 0.712 Si 0.750 0.288 0.144 Si 0.750 0.856 0.144 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>4.840 4.840 4.840<abc><angles>60.000 60.000 60.000<angles><comp>U1 Zn1 Ni4<comp><coord>U 0.000 0.000 0.000 Zn 0.250 0.250 0.250 Ni 0.624 0.624 0.624 Ni 0.624 0.129 0.624 Ni 0.624 0.624 0.129 Ni 0.129 0.624 0.624 <coord> |
<forme>-0.48<forme><bg>0.0<bg><abc>4.341 4.341 14.071<abc><angles>81.128 81.128 60.000<angles><comp>In3 Te4<comp><coord>In 0.000 0.000 0.000 In 0.427 0.427 0.720 In 0.573 0.573 0.280 Te 0.129 0.129 0.614 Te 0.871 0.871 0.386 Te 0.291 0.291 0.128 Te 0.709 0.709 0.872 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>4.945 4.945 4.945<abc><angles>60.000 60.000 60.000<angles><comp>Nd1 Y1 Ir2<comp><coord>Nd 0.500 0.500 0.500 Y 0.000 0.000 0.000 Ir 0.750 0.750 0.750 Ir 0.250 0.250 0.250 <coord> |
<forme>-0.66<forme><bg>0.0<bg><abc>4.282 4.282 4.282<abc><angles>90.000 90.000 90.000<angles><comp>Yb1 B1 Pd3<comp><coord>Yb 0.000 0.000 0.000 B 0.500 0.500 0.500 Pd 0.500 0.000 0.500 Pd 0.000 0.500 0.500 Pd 0.500 0.500 0.000 <coord> |
<forme>-1.0<forme><bg>0.0<bg><abc>5.360 5.360 7.994<abc><angles>90.000 90.000 120.000<angles><comp>Y3 B3 Pt6<comp><coord>Y 0.500 0.000 0.667 Y 0.000 0.500 0.333 Y 0.500 0.500 1.000 B 0.000 0.500 0.833 B 0.500 0.000 0.167 B 0.500 0.500 0.500 Pt 0.695 0.848 0.333 Pt 0.848 0.695 0.667 Pt 0.152 0.848 0.000 Pt 0.152 0.305 0.667 Pt 0.848 0.152 0.000 Pt 0.305 0.152 0.333 <coord> |
<forme>-3.31<forme><bg>0.7<bg><abc>3.805 3.805 11.836<abc><angles>99.250 99.250 90.000<angles><comp>Tb2 Ti2 S2 O5<comp><coord>Tb 0.833 0.833 0.667 Tb 0.167 0.167 0.333 Ti 0.421 0.421 0.843 Ti 0.579 0.579 0.157 S 0.295 0.295 0.590 S 0.705 0.705 0.410 O 0.901 0.401 0.801 O 0.401 0.901 0.801 O 0.099 0.599 0.199 O 0.599 0.099 0.199 O 0.500 0.500 0.000 <coord> |
<forme>-3.33<forme><bg>4.12<bg><abc>5.223 5.223 11.950<abc><angles>77.377 77.377 60.000<angles><comp>Ba2 Zr2 B4 O12<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 Zr 0.000 0.000 0.000 Zr 0.500 0.500 0.500 B 0.631 0.631 0.107 B 0.869 0.869 0.393 B 0.369 0.369 0.893 B 0.131 0.131 0.607 O 0.832 0.337 0.609 O 0.837 0.332 0.109 O 0.278 0.163 0.891 O 0.332 0.722 0.109 O 0.168 0.663 0.391 O 0.668 0.278 0.891 O 0.163 0.668 0.891 O 0.222 0.832 0.609 O 0.778 0.168 0.391 O 0.663 0.778 0.391 O 0.337 0.222 0.609 O 0.722 0.837 0.109 <coord> |
<forme>-0.18<forme><bg>0.0<bg><abc>4.375 4.375 21.756<abc><angles>84.229 84.229 60.000<angles><comp>Sb8 Te3<comp><coord>Sb 0.178 0.178 0.465 Sb 0.364 0.364 0.909 Sb 0.636 0.636 0.091 Sb 0.822 0.822 0.535 Sb 0.548 0.548 0.357 Sb 0.095 0.095 0.714 Sb 0.905 0.905 0.286 Sb 0.452 0.452 0.643 Te 0.277 0.277 0.169 Te 0.723 0.723 0.831 Te 0.000 0.000 0.000 <coord> |
<forme>-0.76<forme><bg>0.0<bg><abc>5.238 5.238 5.238<abc><angles>66.034 66.034 66.034<angles><comp>Pr2 Ge1 Rh3<comp><coord>Pr 0.372 0.372 0.372 Pr 0.628 0.628 0.628 Ge 0.000 0.000 0.000 Rh 0.000 0.000 0.500 Rh 0.000 0.500 0.000 Rh 0.500 0.000 0.000 <coord> |
<forme>-2.02<forme><bg>3.9<bg><abc>4.985 5.743 7.788<abc><angles>111.636 102.932 90.000<angles><comp>Na2 Ni3 P2 H2 O10<comp><coord>Na 0.284 0.235 0.470 Na 0.716 0.765 0.530 Ni 0.000 0.000 0.000 Ni 0.500 0.732 1.000 Ni 0.500 0.268 0.000 P 0.904 0.376 0.752 P 0.096 0.624 0.248 H 0.752 0.140 0.280 H 0.248 0.860 0.720 O 0.771 0.593 0.186 O 0.229 0.407 0.814 O 0.217 0.812 0.174 O 0.217 0.362 0.174 O 0.783 0.188 0.826 O 0.783 0.638 0.826 O 0.711 0.071 0.141 O 0.289 0.929 0.859 O 0.809 0.267 0.534 O 0.191 0.733 0.466 <coord> |
<forme>-0.69<forme><bg>0.0<bg><abc>5.865 5.896 6.964<abc><angles>82.416 74.612 60.172<angles><comp>Li1 Ni1 P2 S6<comp><coord>Li 0.333 0.333 0.000 Ni 0.665 0.670 0.000 P 0.946 0.001 0.162 P 0.053 0.001 0.838 S 0.604 0.352 0.236 S 0.893 0.678 0.229 S 0.429 0.678 0.771 S 0.045 0.352 0.764 S 0.756 0.967 0.764 S 0.277 0.967 0.236 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>5.080 5.080 5.080<abc><angles>60.000 60.000 60.000<angles><comp>Pm1 Lu1 Zn2<comp><coord>Pm 0.000 0.000 0.000 Lu 0.500 0.500 0.500 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 <coord> |
<forme>-1.16<forme><bg>0.0<bg><abc>3.202 3.202 5.576<abc><angles>73.314 73.314 60.000<angles><comp>Hf1 Nb1 C1 N1<comp><coord>Hf 0.002 0.002 0.995 Nb 0.497 0.497 0.509 C 0.751 0.751 0.748 N 0.251 0.251 0.248 <coord> |
<forme>-0.77<forme><bg>0.0<bg><abc>3.312 3.312 13.803<abc><angles>83.110 83.110 60.000<angles><comp>Hf4 U1 C5<comp><coord>Hf 0.596 0.596 0.212 Hf 0.199 0.199 0.404 Hf 0.801 0.801 0.596 Hf 0.404 0.404 0.788 U 0.000 0.000 0.000 C 0.703 0.703 0.892 C 0.500 0.500 0.500 C 0.102 0.102 0.695 C 0.297 0.297 0.108 C 0.898 0.898 0.305 <coord> |
<forme>-0.55<forme><bg>0.0<bg><abc>3.939 3.939 5.537<abc><angles>110.837 110.837 90.000<angles><comp>U1 Si2 Ni2<comp><coord>U 0.000 0.000 0.000 Si 0.623 0.623 0.246 Si 0.377 0.377 0.754 Ni 0.250 0.750 0.500 Ni 0.750 0.250 0.500 <coord> |
<forme>-0.59<forme><bg>0.0<bg><abc>4.498 4.498 4.498<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Sn1 Pt2<comp><coord>Li 0.500 0.500 0.500 Sn 0.000 0.000 0.000 Pt 0.750 0.750 0.750 Pt 0.250 0.250 0.250 <coord> |
<forme>-0.4<forme><bg>0.0<bg><abc>4.582 4.582 4.582<abc><angles>60.000 60.000 60.000<angles><comp>Hf1 Ta1 Re2<comp><coord>Hf 0.500 0.500 0.500 Ta 0.000 0.000 0.000 Re 0.750 0.750 0.750 Re 0.250 0.250 0.250 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>5.638 5.638 5.638<abc><angles>60.000 60.000 60.000<angles><comp>Yb2 Al4<comp><coord>Yb 0.250 0.250 0.250 Yb 0.500 0.500 0.500 Al 0.875 0.875 0.875 Al 0.875 0.375 0.875 Al 0.875 0.875 0.375 Al 0.375 0.875 0.875 <coord> |
<forme>-0.77<forme><bg>1.11<bg><abc>6.056 6.897 6.056<abc><angles>63.956 90.000 116.044<angles><comp>Al1 Ag1 Sn1 Se4<comp><coord>Al 0.500 0.000 0.500 Ag 0.750 0.500 0.750 Sn 0.250 0.500 0.250 Se 0.863 0.216 0.151 Se 0.353 0.216 0.633 Se 0.633 0.784 0.863 Se 0.151 0.784 0.353 <coord> |
<forme>-1.52<forme><bg>1.64<bg><abc>5.083 5.306 7.349<abc><angles>86.541 89.959 89.991<angles><comp>Te3 W1 O12<comp><coord>Te 0.000 0.000 0.500 Te 0.500 0.500 0.000 Te 0.500 0.500 0.500 W 0.000 0.000 0.000 O 0.684 0.192 0.571 O 0.884 0.005 0.254 O 0.690 0.815 0.948 O 0.816 0.692 0.571 O 0.193 0.698 0.061 O 0.633 0.507 0.253 O 0.367 0.493 0.747 O 0.807 0.302 0.939 O 0.184 0.308 0.429 O 0.310 0.185 0.052 O 0.116 0.995 0.746 O 0.316 0.808 0.429 <coord> |
<forme>-3.16<forme><bg>0.0<bg><abc>4.157 4.157 5.042<abc><angles>114.343 114.343 90.000<angles><comp>Ti3 O4<comp><coord>Ti 0.250 0.750 0.500 Ti 0.500 0.500 0.000 Ti 0.750 0.250 0.500 O 1.000 0.500 0.000 O 0.241 0.241 0.482 O 0.500 0.000 0.000 O 0.759 0.759 0.518 <coord> |
<forme>-1.08<forme><bg>0.0<bg><abc>4.193 4.193 9.866<abc><angles>90.000 90.000 90.000<angles><comp>Ho2 Si4 Pt4<comp><coord>Ho 0.000 0.500 0.747 Ho 0.500 0.000 0.253 Si 0.000 0.500 0.134 Si 0.500 0.500 0.500 Si 0.500 0.000 0.866 Si 0.000 0.000 0.500 Pt 0.500 0.000 0.624 Pt 0.000 0.000 0.000 Pt 0.500 0.500 0.000 Pt 0.000 0.500 0.376 <coord> |
<forme>-1.81<forme><bg>0.0<bg><abc>7.338 7.447 11.283<abc><angles>70.729 83.725 70.661<angles><comp>Sm10 Sb3 Se7<comp><coord>Sm 0.255 0.757 1.000 Sm 0.251 0.348 0.800 Sm 0.745 0.243 0.000 Sm 0.238 0.950 0.605 Sm 0.749 0.852 0.800 Sm 0.238 0.555 0.395 Sm 0.762 0.445 0.605 Sm 0.251 0.148 0.200 Sm 0.762 0.050 0.395 Sm 0.749 0.652 0.200 Sb 0.000 0.500 0.000 Sb 0.500 0.202 0.595 Sb 0.500 0.798 0.405 Se 0.000 0.902 0.195 Se 0.500 0.400 0.199 Se 0.500 0.000 0.000 Se 0.500 0.600 0.801 Se 0.000 0.098 0.805 Se 0.000 0.700 0.600 Se 0.000 0.300 0.400 <coord> |
<forme>-2.81<forme><bg>1.73<bg><abc>6.052 6.219 8.674<abc><angles>90.000 89.691 89.999<angles><comp>Sr4 La2 Bi2 O12<comp><coord>Sr 0.513 0.548 0.251 Sr 0.987 0.048 0.249 Sr 0.487 0.452 0.749 Sr 0.013 0.952 0.751 La 0.500 0.000 0.000 La 0.000 0.500 0.500 Bi 0.000 0.500 0.000 Bi 0.500 0.000 0.500 O 0.182 0.213 0.942 O 0.318 0.713 0.558 O 0.818 0.787 0.058 O 0.682 0.287 0.442 O 0.287 0.689 0.946 O 0.213 0.189 0.554 O 0.713 0.311 0.054 O 0.787 0.811 0.446 O 0.395 0.956 0.265 O 0.105 0.456 0.235 O 0.605 0.044 0.735 O 0.895 0.544 0.765 <coord> |
<forme>-0.9<forme><bg>2.68<bg><abc>6.772 6.772 6.772<abc><angles>109.471 109.471 109.471<angles><comp>Nb1 Tl3 S4<comp><coord>Nb 0.000 0.000 0.000 Tl 0.500 0.000 0.500 Tl 0.500 0.500 0.000 Tl 0.000 0.500 0.500 S 1.000 1.000 0.339 S 1.000 0.339 0.000 S 0.661 0.661 0.661 S 0.339 1.000 0.000 <coord> |
<forme>-1.23<forme><bg>2.35<bg><abc>6.546 7.056 8.190<abc><angles>115.517 113.557 90.000<angles><comp>K4 Zn2 Se4<comp><coord>K 0.359 0.188 0.717 K 0.641 0.812 0.283 K 0.859 0.529 0.717 K 0.141 0.471 0.283 Zn 0.750 0.000 0.000 Zn 0.250 0.000 1.000 Se 0.605 0.294 0.210 Se 0.395 0.706 0.790 Se 0.105 0.915 0.210 Se 0.895 0.085 0.790 <coord> |
<forme>-1.1<forme><bg>0.0<bg><abc>3.488 5.935 6.542<abc><angles>91.469 90.000 90.000<angles><comp>Ti1 Cr1 Ag1 S4<comp><coord>Ti 0.500 0.500 0.500 Cr 0.000 0.000 0.500 Ag 0.000 0.000 0.000 S 0.000 0.671 0.714 S 0.500 0.167 0.711 S 0.500 0.833 0.289 S 1.000 0.329 0.286 <coord> |
<forme>-2.29<forme><bg>0.11<bg><abc>5.565 5.565 5.614<abc><angles>60.288 60.288 60.000<angles><comp>Sr1 Cr2 Bi1 O6<comp><coord>Sr 0.239 0.239 0.283 Cr 0.493 0.493 0.522 Cr 0.995 0.995 0.014 Bi 0.713 0.713 0.862 O 0.330 0.166 0.756 O 0.166 0.749 0.756 O 0.749 0.330 0.756 O 0.806 0.274 0.231 O 0.274 0.689 0.231 O 0.689 0.806 0.231 <coord> |
<forme>-2.88<forme><bg>1.36<bg><abc>3.959 5.367 10.147<abc><angles>89.860 90.000 111.642<angles><comp>Li2 V4 O4 F6<comp><coord>Li 0.869 0.737 0.054 Li 0.131 0.263 0.946 V 0.862 0.724 0.446 V 0.811 0.622 0.744 V 0.189 0.378 0.256 V 0.138 0.276 0.554 O 0.958 0.916 0.620 O 0.306 0.612 0.422 O 0.694 0.388 0.578 O 0.042 0.084 0.380 F 0.951 0.902 0.880 F 0.308 0.616 0.096 F 0.738 0.475 0.261 F 0.262 0.525 0.739 F 0.692 0.384 0.904 F 0.049 0.098 0.120 <coord> |
<forme>-1.6<forme><bg>2.02<bg><abc>4.363 8.471 11.386<abc><angles>90.000 90.000 104.923<angles><comp>Cs2 Sm2 Cd2 Se6<comp><coord>Cs 0.743 0.486 0.250 Cs 0.257 0.514 0.750 Sm 0.000 0.000 0.000 Sm 0.000 0.000 0.500 Cd 0.460 0.919 0.250 Cd 0.540 0.081 0.750 Se 0.381 0.762 0.049 Se 0.619 0.238 0.951 Se 0.619 0.238 0.549 Se 0.381 0.762 0.451 Se 0.060 0.119 0.250 Se 0.940 0.881 0.750 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>4.784 4.784 4.784<abc><angles>60.000 60.000 60.000<angles><comp>Ca1 Lu1 Rh2<comp><coord>Ca 0.500 0.500 0.500 Lu 0.000 0.000 0.000 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750 <coord> |
<forme>-1.28<forme><bg>2.41<bg><abc>6.070 6.070 10.207<abc><angles>90.000 90.000 114.401<angles><comp>Yb2 In4 S8<comp><coord>Yb 0.500 0.500 0.250 Yb 0.500 0.500 0.750 In 0.222 0.782 0.500 In 0.778 0.218 0.500 In 0.218 0.778 0.000 In 0.782 0.222 0.000 S 0.221 0.357 0.500 S 0.779 0.643 0.500 S 0.643 0.779 0.000 S 0.357 0.221 0.000 S 0.000 0.500 0.184 S 0.500 0.000 0.316 S 0.000 0.500 0.816 S 0.500 0.000 0.684 <coord> |
<forme>-1.78<forme><bg>4.02<bg><abc>3.561 3.561 4.556<abc><angles>90.000 90.000 89.788<angles><comp>Li2 H2 O2<comp><coord>Li 0.540 0.460 0.500 Li 0.040 0.960 0.500 H 0.080 0.420 0.103 H 0.580 0.920 0.897 O 0.042 0.458 0.310 O 0.542 0.958 0.690 <coord> |
<forme>-3.03<forme><bg>1.99<bg><abc>4.600 6.782 6.782<abc><angles>90.000 90.000 90.000<angles><comp>Li2 V2 F10<comp><coord>Li 0.500 0.000 0.000 Li 0.500 0.500 0.500 V 0.621 0.500 0.000 V 0.379 0.000 0.500 F 0.241 0.500 0.000 F 0.716 0.236 0.038 F 0.284 0.962 0.236 F 0.716 0.538 0.264 F 0.284 0.264 0.462 F 0.759 0.000 0.500 F 0.284 0.736 0.538 F 0.716 0.462 0.736 F 0.284 0.038 0.764 F 0.716 0.764 0.962 <coord> |
<forme>-2.45<forme><bg>0.0<bg><abc>3.927 3.927 8.038<abc><angles>90.000 90.000 90.000<angles><comp>Ba1 Sm1 Fe1 Cu1 O5<comp><coord>Ba 0.500 0.500 0.745 Sm 0.500 0.500 0.209 Fe 0.000 0.000 0.454 Cu 0.000 0.000 0.995 O 0.500 0.000 0.384 O 0.000 0.500 0.384 O 0.500 0.000 0.015 O 0.000 0.500 0.015 O 0.000 0.000 0.686 <coord> |
<forme>-0.26<forme><bg>0.0<bg><abc>7.178 7.178 7.178<abc><angles>109.471 109.471 109.471<angles><comp>Tb8 C12<comp><coord>Tb 0.399 0.399 0.899 Tb 0.000 0.500 0.101 Tb 0.601 0.000 0.000 Tb 0.500 0.601 0.500 Tb 0.101 0.000 0.000 Tb 0.500 0.101 0.500 Tb 0.000 0.500 0.601 Tb 0.899 0.899 0.399 C 0.956 0.206 0.750 C 0.794 0.044 0.750 C 0.456 0.750 0.206 C 0.750 0.706 0.956 C 0.044 0.250 0.294 C 0.250 0.794 0.544 C 0.544 0.294 0.250 C 0.750 0.544 0.794 C 0.706 0.456 0.250 C 0.294 0.750 0.044 C 0.206 0.250 0.456 C 0.250 0.956 0.706 <coord> |
<forme>-1.04<forme><bg>0.0<bg><abc>4.055 4.055 5.576<abc><angles>111.322 111.322 90.000<angles><comp>Dy1 P2 Ru2<comp><coord>Dy 0.000 0.000 0.000 P 0.375 0.375 0.750 P 0.625 0.625 0.250 Ru 0.250 0.750 0.500 Ru 0.750 0.250 0.500 <coord> |
<forme>-3.0<forme><bg>5.69<bg><abc>6.684 6.684 6.684<abc><angles>60.000 60.000 60.000<angles><comp>Cs1 Rb2 Ga1 F6<comp><coord>Cs 0.500 0.500 0.500 Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Ga 0.000 0.000 0.000 F 0.204 0.796 0.204 F 0.204 0.204 0.796 F 0.796 0.204 0.796 F 0.204 0.796 0.796 F 0.796 0.204 0.204 F 0.796 0.796 0.204 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>4.437 4.437 8.758<abc><angles>90.000 90.000 90.000<angles><comp>Sr1 Ga4 Au3<comp><coord>Sr 0.000 0.000 0.500 Ga 0.000 0.500 0.174 Ga 0.000 0.500 0.826 Ga 0.500 0.000 0.174 Ga 0.500 0.000 0.826 Au 0.500 0.500 0.341 Au 0.500 0.500 0.659 Au 0.000 0.000 0.000 <coord> |
<forme>-1.57<forme><bg>1.61<bg><abc>7.479 7.479 7.479<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Ag1 As1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Ag 0.500 0.500 0.500 As 0.000 0.000 0.000 Cl 0.240 0.760 0.240 Cl 0.240 0.240 0.760 Cl 0.760 0.240 0.760 Cl 0.240 0.760 0.760 Cl 0.760 0.240 0.240 Cl 0.760 0.760 0.240 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>4.406 8.357 8.357<abc><angles>69.886 74.714 74.714<angles><comp>Tb3 Ga8 Ag3<comp><coord>Tb 0.500 0.500 0.500 Tb 0.205 0.795 0.795 Tb 0.795 0.205 0.205 Ga 0.358 0.362 0.923 Ga 0.642 0.638 0.077 Ga 0.358 0.923 0.362 Ga 0.642 0.077 0.638 Ga 0.158 0.474 0.211 Ga 0.842 0.526 0.789 Ga 0.158 0.211 0.474 Ga 0.842 0.789 0.526 Ag 0.500 0.000 0.000 Ag 0.000 0.811 0.189 Ag 0.000 0.189 0.811 <coord> |
<forme>-2.18<forme><bg>0.0<bg><abc>3.837 3.837 3.837<abc><angles>90.000 90.000 90.000<angles><comp>Ca1 Fe1 O3<comp><coord>Ca 0.500 0.500 0.500 Fe 0.000 0.000 0.000 O 0.500 0.000 0.000 O 0.000 0.500 0.000 O 0.000 0.000 0.500 <coord> |
<forme>-2.62<forme><bg>0.0<bg><abc>6.297 6.297 6.297<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Na1 Ru1 F6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Na 0.500 0.500 0.500 Ru 0.000 0.000 0.000 F 0.230 0.770 0.230 F 0.230 0.230 0.770 F 0.770 0.230 0.770 F 0.230 0.770 0.770 F 0.770 0.230 0.230 F 0.770 0.770 0.230 <coord> |
<forme>-0.72<forme><bg>0.0<bg><abc>4.818 4.818 4.818<abc><angles>60.000 60.000 60.000<angles><comp>Ho1 Al1 Au2<comp><coord>Ho 0.000 0.000 0.000 Al 0.500 0.500 0.500 Au 0.250 0.250 0.250 Au 0.750 0.750 0.750 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>2.919 2.943 6.843<abc><angles>102.417 102.313 90.000<angles><comp>Cr3 B4<comp><coord>Cr 0.314 0.814 0.628 Cr 0.686 0.186 0.372 Cr 0.500 0.500 1.000 B 0.066 0.066 0.133 B 0.934 0.934 0.867 B 0.140 0.640 0.280 B 0.860 0.360 0.720 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>6.406 6.406 6.406<abc><angles>109.471 109.471 109.471<angles><comp>Ca3 Ga4 Ni4<comp><coord>Ca 0.000 0.500 0.500 Ca 0.500 1.000 0.500 Ca 0.500 0.500 1.000 Ga 1.000 0.610 0.000 Ga 0.390 0.390 0.390 Ga 0.610 0.000 0.000 Ga 1.000 1.000 0.610 Ni 0.000 0.000 0.245 Ni 0.755 0.755 0.755 Ni 0.000 0.245 0.000 Ni 0.245 0.000 1.000 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>3.654 3.654 3.654<abc><angles>90.000 90.000 90.000<angles><comp>Y1 Ag1<comp><coord>Y 0.500 0.500 0.500 Ag 0.000 0.000 0.000 <coord> |
<forme>-0.36<forme><bg>0.0<bg><abc>4.326 4.326 4.326<abc><angles>60.000 60.000 60.000<angles><comp>Ti2 Mn1 Tc1<comp><coord>Ti 0.500 0.500 0.500 Ti 0.000 0.000 0.000 Mn 0.750 0.750 0.750 Tc 0.250 0.250 0.250 <coord> |
<forme>-0.38<forme><bg>0.0<bg><abc>4.324 7.058 7.471<abc><angles>90.000 90.000 90.000<angles><comp>Nd4 Ga4 Co4<comp><coord>Nd 0.250 0.021 0.811 Nd 0.250 0.521 0.689 Nd 0.750 0.979 0.189 Nd 0.750 0.479 0.311 Ga 0.250 0.166 0.422 Ga 0.250 0.666 0.078 Ga 0.750 0.834 0.578 Ga 0.750 0.334 0.922 Co 0.250 0.803 0.397 Co 0.250 0.303 0.103 Co 0.750 0.197 0.603 Co 0.750 0.697 0.897 <coord> |
<forme>-3.08<forme><bg>0.0<bg><abc>3.992 3.992 6.869<abc><angles>90.000 90.000 90.000<angles><comp>Pu2 Cl2 O2<comp><coord>Pu 0.500 0.000 0.829 Pu 0.000 0.500 0.171 Cl 0.000 0.500 0.632 Cl 0.500 0.000 0.368 O 0.000 0.000 0.000 O 0.500 0.500 0.000 <coord> |
<forme>-1.78<forme><bg>0.06<bg><abc>5.933 5.933 5.972<abc><angles>60.218 60.218 60.000<angles><comp>Li4 Fe3 Cu1 O8<comp><coord>Li 0.500 0.000 0.500 Li 0.000 0.000 0.500 Li 0.500 0.500 0.500 Li 0.000 0.500 0.500 Fe 0.500 0.500 0.000 Fe 0.000 0.500 0.000 Fe 0.500 0.000 0.000 Cu 0.000 0.000 0.000 O 0.257 0.257 0.230 O 0.244 0.742 0.770 O 0.258 0.756 0.230 O 0.756 0.756 0.230 O 0.244 0.244 0.770 O 0.742 0.244 0.770 O 0.756 0.258 0.230 O 0.743 0.743 0.770 <coord> |
<forme>-0.63<forme><bg>0.0<bg><abc>4.081 4.081 7.563<abc><angles>105.653 105.653 90.000<angles><comp>Cs1 P2 Ru2<comp><coord>Cs 0.000 0.000 0.000 P 0.329 0.329 0.657 P 0.671 0.671 0.343 Ru 0.750 0.250 0.500 Ru 0.250 0.750 0.500 <coord> |
<forme>-1.95<forme><bg>2.48<bg><abc>5.296 5.296 7.953<abc><angles>83.252 83.252 66.857<angles><comp>Li8 Se2 O10<comp><coord>Li 0.035 0.362 0.354 Li 0.638 0.965 0.146 Li 0.223 0.568 0.943 Li 0.432 0.777 0.557 Li 0.777 0.432 0.057 Li 0.568 0.223 0.443 Li 0.965 0.638 0.646 Li 0.362 0.035 0.854 Se 0.172 0.828 0.250 Se 0.828 0.172 0.750 O 0.350 0.005 0.340 O 0.995 0.650 0.160 O 0.128 0.872 0.750 O 0.872 0.128 0.250 O 0.767 0.411 0.573 O 0.589 0.233 0.927 O 0.233 0.589 0.427 O 0.411 0.767 0.073 O 0.005 0.350 0.840 O 0.650 0.995 0.660 <coord> |
<forme>-2.32<forme><bg>4.91<bg><abc>3.121 4.701 4.701<abc><angles>90.000 90.000 90.000<angles><comp>Ni2 F4<comp><coord>Ni 0.500 0.500 0.500 Ni 0.000 0.000 0.000 F 0.000 0.696 0.696 F 0.500 0.196 0.804 F 0.000 0.304 0.304 F 0.500 0.804 0.196 <coord> |
<forme>-0.14<forme><bg>0.0<bg><abc>5.428 5.428 9.163<abc><angles>90.000 90.000 120.000<angles><comp>Tb2 Th2 Re8<comp><coord>Tb 0.333 0.667 0.562 Tb 0.667 0.333 0.438 Th 0.667 0.333 0.061 Th 0.333 0.667 0.939 Re 0.000 0.000 0.500 Re 0.000 0.000 0.000 Re 0.340 0.170 0.742 Re 0.830 0.660 0.742 Re 0.830 0.170 0.742 Re 0.660 0.830 0.258 Re 0.170 0.340 0.258 Re 0.170 0.830 0.258 <coord> |
<forme>-0.33<forme><bg>1.1<bg><abc>4.816 5.486 5.486<abc><angles>100.730 90.000 90.000<angles><comp>Mg4 H8 Ru2<comp><coord>Mg 0.750 0.069 0.352 Mg 0.250 0.352 0.069 Mg 0.250 0.931 0.648 Mg 0.750 0.648 0.931 H 0.750 0.354 0.130 H 0.250 0.130 0.354 H 0.250 0.646 0.870 H 0.750 0.870 0.646 H 0.985 0.278 0.722 H 0.015 0.722 0.278 H 0.515 0.278 0.722 H 0.485 0.722 0.278 Ru 0.750 0.132 0.868 Ru 0.250 0.868 0.132 <coord> |
<forme>-2.76<forme><bg>0.0<bg><abc>5.321 5.586 7.542<abc><angles>90.000 90.000 90.000<angles><comp>Mn4 F12<comp><coord>Mn 0.000 0.500 0.000 Mn 0.000 0.500 0.500 Mn 0.500 0.000 0.000 Mn 0.500 0.000 0.500 F 0.084 0.512 0.250 F 0.223 0.806 0.961 F 0.223 0.806 0.539 F 0.277 0.306 0.961 F 0.277 0.306 0.539 F 0.416 0.012 0.250 F 0.584 0.988 0.750 F 0.723 0.694 0.039 F 0.723 0.694 0.461 F 0.777 0.194 0.039 F 0.777 0.194 0.461 F 0.916 0.488 0.750 <coord> |
<forme>-2.56<forme><bg>4.36<bg><abc>6.537 6.537 7.111<abc><angles>103.954 103.954 96.414<angles><comp>K2 Sm2 C4 O12<comp><coord>K 0.380 0.620 0.750 K 0.620 0.380 0.250 Sm 0.903 0.097 0.750 Sm 0.097 0.903 0.250 C 0.354 0.110 0.758 C 0.646 0.890 0.242 C 0.890 0.646 0.742 C 0.110 0.354 0.258 O 0.553 0.104 0.779 O 0.447 0.896 0.221 O 0.896 0.447 0.721 O 0.104 0.553 0.279 O 0.288 0.249 0.882 O 0.712 0.751 0.118 O 0.751 0.712 0.618 O 0.249 0.288 0.382 O 0.205 0.969 0.610 O 0.795 0.031 0.390 O 0.031 0.795 0.890 O 0.969 0.205 0.110 <coord> |
<forme>-2.3<forme><bg>0.0<bg><abc>4.883 4.883 6.170<abc><angles>90.000 90.000 91.771<angles><comp>Fe4 O2 F6<comp><coord>Fe 0.969 0.969 0.250 Fe 0.031 0.031 0.750 Fe 0.500 0.500 1.000 Fe 0.500 0.500 0.500 O 0.332 0.332 0.750 O 0.668 0.668 0.250 F 0.205 0.795 0.000 F 0.205 0.795 0.500 F 0.290 0.290 0.250 F 0.710 0.710 0.750 F 0.795 0.205 0.500 F 0.795 0.205 0.000 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>5.352 5.352 6.677<abc><angles>90.000 90.000 120.000<angles><comp>Er4 In2<comp><coord>Er 0.667 0.333 0.250 Er 0.333 0.667 0.750 Er 0.000 0.000 0.500 Er 0.000 0.000 0.000 In 0.333 0.667 0.250 In 0.667 0.333 0.750 <coord> |
<forme>-0.54<forme><bg>0.0<bg><abc>5.153 7.406 9.424<abc><angles>90.000 90.000 90.000<angles><comp>Pr8 Au4<comp><coord>Pr 0.250 0.493 0.174 Pr 0.750 0.507 0.826 Pr 0.250 0.993 0.326 Pr 0.750 0.007 0.674 Pr 0.750 0.650 0.414 Pr 0.250 0.350 0.586 Pr 0.750 0.150 0.086 Pr 0.250 0.850 0.914 Au 0.250 0.259 0.904 Au 0.750 0.741 0.096 Au 0.250 0.759 0.596 Au 0.750 0.241 0.404 <coord> |
<forme>-0.38<forme><bg>0.0<bg><abc>4.268 4.268 8.206<abc><angles>105.072 105.072 90.000<angles><comp>Ba2 Hg1<comp><coord>Ba 0.369 0.369 0.739 Ba 0.631 0.631 0.261 Hg 0.000 0.000 0.000 <coord> |
<forme>-0.66<forme><bg>0.02<bg><abc>5.596 5.596 6.864<abc><angles>113.821 113.821 90.527<angles><comp>Zn1 Cu2 Sn1 Se2 S2<comp><coord>Zn 0.009 0.009 0.018 Cu 0.239 0.739 0.479 Cu 0.739 0.239 0.479 Sn 0.506 0.506 0.011 Se 0.106 0.628 0.734 Se 0.628 0.106 0.734 S 0.379 0.379 0.272 S 0.893 0.893 0.272 <coord> |
<forme>-2.58<forme><bg>1.06<bg><abc>5.636 5.683 9.835<abc><angles>89.216 73.419 60.488<angles><comp>Sr4 Fe2 Mo1 W1 O12<comp><coord>Sr 0.754 0.374 0.615 Sr 0.746 0.875 0.138 Sr 0.254 0.125 0.862 Sr 0.246 0.626 0.385 Fe 0.001 0.748 0.746 Fe 0.999 0.252 0.254 Mo 0.500 0.000 0.500 W 0.500 0.500 0.000 O 0.741 0.141 0.881 O 0.758 0.614 0.367 O 0.242 0.386 0.633 O 0.259 0.859 0.119 O 0.205 0.903 0.614 O 0.228 0.388 0.100 O 0.795 0.097 0.386 O 0.772 0.612 0.900 O 0.712 0.358 0.136 O 0.712 0.860 0.647 O 0.288 0.140 0.353 O 0.288 0.642 0.864 <coord> |
<forme>-3.17<forme><bg>0.0<bg><abc>4.019 4.019 4.019<abc><angles>90.000 90.000 90.000<angles><comp>Yb1 Nb1 O3<comp><coord>Yb 0.000 0.000 0.000 Nb 0.500 0.500 0.500 O 0.500 0.500 0.000 O 0.500 0.000 0.500 O 0.000 0.500 0.500 <coord> |
<forme>-0.82<forme><bg>0.0<bg><abc>4.336 8.769 9.494<abc><angles>117.504 103.198 90.000<angles><comp>Tm4 Ge8 Pt4<comp><coord>Tm 1.000 0.264 0.000 Tm 0.000 0.736 0.000 Tm 0.203 0.703 0.406 Tm 0.797 0.297 0.594 Ge 0.574 0.074 0.148 Ge 0.426 0.926 0.852 Ge 0.574 0.574 0.149 Ge 0.426 0.426 0.851 Ge 0.801 0.650 0.601 Ge 0.199 0.350 0.399 Ge 0.801 0.951 0.601 Ge 0.199 0.049 0.399 Pt 0.647 0.398 0.295 Pt 0.353 0.602 0.705 Pt 0.647 0.897 0.295 Pt 0.353 0.103 0.705 <coord> |
<forme>-0.9<forme><bg>0.0<bg><abc>4.657 7.051 8.006<abc><angles>90.000 90.000 90.000<angles><comp>Er4 Sn4 Pd4<comp><coord>Er 0.250 0.506 0.782 Er 0.250 0.006 0.718 Er 0.750 0.494 0.218 Er 0.750 0.994 0.282 Sn 0.250 0.704 0.415 Sn 0.250 0.204 0.085 Sn 0.750 0.296 0.585 Sn 0.750 0.796 0.915 Pd 0.250 0.778 0.083 Pd 0.250 0.278 0.417 Pd 0.750 0.222 0.917 Pd 0.750 0.722 0.583 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>5.015 6.529 6.529<abc><angles>81.816 67.415 67.415<angles><comp>Zr1 Al5 Cu7<comp><coord>Zr 0.000 0.000 1.000 Al 0.000 0.340 0.660 Al 1.000 0.654 0.346 Al 0.660 0.335 0.345 Al 0.340 0.655 0.665 Al 0.500 0.801 0.199 Cu 0.002 0.997 0.500 Cu 0.501 0.997 0.500 Cu 0.499 0.500 0.003 Cu 0.998 0.500 0.003 Cu 0.500 0.218 0.782 Cu 0.720 0.781 0.778 Cu 0.280 0.222 0.219 <coord> |
<forme>-3.18<forme><bg>2.62<bg><abc>5.017 5.017 6.563<abc><angles>112.472 112.472 90.000<angles><comp>Lu2 V2 O8<comp><coord>Lu 0.500 0.500 0.000 Lu 0.250 0.750 0.500 V 0.000 0.000 0.000 V 0.750 0.250 0.500 O 0.659 0.072 0.836 O 0.822 0.427 0.336 O 0.515 0.909 0.336 O 0.177 0.765 0.836 O 0.573 0.485 0.664 O 0.235 0.341 0.164 O 0.928 0.823 0.164 O 0.091 0.178 0.664 <coord> |
<forme>-1.49<forme><bg>0.0<bg><abc>3.481 5.853 17.531<abc><angles>90.000 90.000 89.963<angles><comp>Cs2 Nb4 S8<comp><coord>Cs 0.000 0.000 0.500 Cs 0.500 0.500 0.000 Nb 0.000 0.001 0.750 Nb 0.500 0.501 0.750 Nb 1.000 0.999 0.250 Nb 0.500 0.499 0.250 S 0.500 0.166 0.662 S 1.000 0.665 0.662 S 0.000 0.335 0.338 S 0.500 0.834 0.338 S 0.000 0.334 0.162 S 0.500 0.835 0.162 S 0.500 0.165 0.838 S 1.000 0.666 0.838 <coord> |
<forme>-0.79<forme><bg>0.0<bg><abc>4.536 4.536 4.536<abc><angles>90.000 90.000 90.000<angles><comp>Sc3 Sn1 C1<comp><coord>Sc 0.000 0.500 0.500 Sc 0.500 0.500 0.000 Sc 0.500 0.000 0.500 Sn 0.000 0.000 0.000 C 0.500 0.500 0.500 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>4.754 4.754 4.754<abc><angles>60.000 60.000 60.000<angles><comp>Na1 Pd2 Pb1<comp><coord>Na 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>-1.6<forme><bg>2.26<bg><abc>3.560 6.605 9.118<abc><angles>90.000 90.000 90.000<angles><comp>Rb4 Li4 O4<comp><coord>Rb 0.250 0.996 0.823 Rb 0.750 0.004 0.177 Rb 0.250 0.496 0.677 Rb 0.750 0.504 0.323 Li 0.750 0.898 0.497 Li 0.250 0.602 0.997 Li 0.750 0.398 0.003 Li 0.250 0.102 0.503 O 0.250 0.811 0.453 O 0.750 0.689 0.953 O 0.250 0.311 0.047 O 0.750 0.189 0.547 <coord> |
<forme>0.03<forme><bg>0.0<bg><abc>3.170 6.714 7.653<abc><angles>103.836 90.000 103.654<angles><comp>Ce3 Mg3<comp><coord>Ce 0.334 0.668 0.655 Ce 0.921 0.842 0.392 Ce 0.301 0.601 0.070 Mg 0.016 0.031 0.001 Mg 0.610 0.220 0.721 Mg 0.652 0.304 0.327 <coord> |
<forme>-3.49<forme><bg>5.92<bg><abc>6.849 6.849 6.849<abc><angles>60.000 60.000 60.000<angles><comp>Cs1 Rb2 Sc1 F6<comp><coord>Cs 0.500 0.500 0.500 Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Sc 0.000 0.000 0.000 F 0.210 0.790 0.210 F 0.210 0.210 0.790 F 0.790 0.210 0.790 F 0.210 0.790 0.790 F 0.790 0.210 0.210 F 0.790 0.790 0.210 <coord> |
<forme>-3.13<forme><bg>1.83<bg><abc>5.297 5.440 9.105<abc><angles>105.796 90.289 118.860<angles><comp>V4 O1 F11<comp><coord>V 0.751 0.520 0.240 V 0.501 0.004 0.497 V 0.249 0.499 0.750 V 0.996 0.994 0.004 O 0.794 0.739 0.132 F 0.322 0.249 0.573 F 0.326 0.256 0.177 F 0.714 0.259 0.370 F 0.816 0.238 0.080 F 0.824 0.251 0.673 F 0.172 0.735 0.326 F 0.179 0.753 0.926 F 0.279 0.754 0.626 F 0.221 0.250 0.876 F 0.677 0.747 0.827 F 0.678 0.752 0.424 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>4.846 5.597 5.636<abc><angles>119.773 115.463 90.000<angles><comp>U2 Al2 Au2<comp><coord>U 0.500 0.755 0.000 U 0.500 0.245 0.000 Al 0.162 0.662 0.325 Al 0.838 0.338 0.675 Au 0.826 0.826 0.651 Au 0.174 0.174 0.349 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>5.261 5.261 5.261<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Nd2 Ga1<comp><coord>Li 0.000 0.000 0.000 Nd 0.750 0.750 0.750 Nd 0.250 0.250 0.250 Ga 0.500 0.500 0.500 <coord> |
<forme>-3.1<forme><bg>2.75<bg><abc>5.872 5.872 10.123<abc><angles>73.139 73.139 60.000<angles><comp>Ba4 Nb2 W1 O12<comp><coord>Ba 0.289 0.289 0.133 Ba 0.712 0.712 0.864 Ba 0.135 0.135 0.594 Ba 0.865 0.865 0.404 Nb 0.001 0.001 0.996 Nb 0.424 0.424 0.729 W 0.580 0.580 0.260 O 0.789 0.297 0.125 O 0.789 0.789 0.125 O 0.297 0.789 0.125 O 0.202 0.713 0.884 O 0.202 0.202 0.884 O 0.713 0.202 0.884 O 0.618 0.126 0.639 O 0.618 0.618 0.639 O 0.126 0.618 0.639 O 0.389 0.865 0.358 O 0.389 0.389 0.358 O 0.865 0.389 0.358 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>4.263 4.263 5.951<abc><angles>110.990 110.990 90.000<angles><comp>Eu1 Zn2 Si2<comp><coord>Eu 0.000 0.000 0.000 Zn 0.250 0.750 0.500 Zn 0.750 0.250 0.500 Si 0.616 0.616 0.232 Si 0.384 0.384 0.768 <coord> |
<forme>-0.18<forme><bg>0.0<bg><abc>4.667 4.667 4.667<abc><angles>60.000 60.000 60.000<angles><comp>Li2 Mg1 Ag1<comp><coord>Li 0.500 0.500 0.500 Li 0.750 0.750 0.750 Mg 0.250 0.250 0.250 Ag 0.000 0.000 0.000 <coord> |
<forme>-0.11<forme><bg>0.0<bg><abc>4.344 4.344 15.358<abc><angles>90.000 90.000 120.000<angles><comp>Sr4 Cu4<comp><coord>Sr 0.667 0.333 0.620 Sr 0.333 0.667 0.380 Sr 0.333 0.667 0.120 Sr 0.667 0.333 0.880 Cu 0.000 0.000 0.750 Cu 0.000 0.000 0.250 Cu 0.667 0.333 0.250 Cu 0.333 0.667 0.750 <coord> |
<forme>-1.94<forme><bg>0.0<bg><abc>3.181 5.084 5.264<abc><angles>90.000 90.000 90.000<angles><comp>Li2 Mo2 O4<comp><coord>Li 0.000 0.500 0.000 Li 0.500 0.000 0.500 Mo 0.000 0.500 0.500 Mo 0.500 0.000 0.000 O 0.000 0.829 0.231 O 0.500 0.671 0.731 O 0.000 0.171 0.769 O 0.500 0.329 0.269 <coord> |
<forme>-2.18<forme><bg>5.04<bg><abc>4.949 6.589 8.039<abc><angles>90.000 107.820 90.000<angles><comp>Cs2 P2 H4 O8<comp><coord>Cs 0.949 0.750 0.732 Cs 0.051 0.250 0.268 P 0.468 0.250 0.770 P 0.532 0.750 0.230 H 0.828 0.250 0.655 H 0.172 0.750 0.345 H 0.500 0.000 0.000 H 0.500 0.500 0.000 O 0.612 0.250 0.617 O 0.388 0.750 0.383 O 0.150 0.250 0.682 O 0.850 0.750 0.318 O 0.580 0.056 0.880 O 0.420 0.556 0.120 O 0.420 0.944 0.120 O 0.580 0.444 0.880 <coord> |
<forme>-0.64<forme><bg>0.0<bg><abc>3.514 6.495 16.553<abc><angles>90.000 90.000 90.000<angles><comp>Ta4 Ni8 Te4 Se4<comp><coord>Ta 0.250 0.908 0.721 Ta 0.750 0.092 0.279 Ta 0.250 0.408 0.779 Ta 0.750 0.592 0.221 Ni 0.750 0.603 0.680 Ni 0.250 0.397 0.320 Ni 0.250 0.897 0.180 Ni 0.250 0.786 0.321 Ni 0.750 0.714 0.821 Ni 0.750 0.103 0.820 Ni 0.750 0.214 0.679 Ni 0.250 0.286 0.179 Te 0.250 0.910 0.903 Te 0.750 0.590 0.403 Te 0.750 0.090 0.097 Te 0.250 0.410 0.597 Se 0.750 0.909 0.600 Se 0.250 0.591 0.100 Se 0.750 0.409 0.900 Se 0.250 0.091 0.400 <coord> |
<forme>-2.26<forme><bg>0.0<bg><abc>4.381 7.591 9.802<abc><angles>75.036 77.085 73.227<angles><comp>Sr1 Eu4 Se5<comp><coord>Sr 0.000 0.000 0.000 Eu 0.600 0.200 0.600 Eu 0.200 0.400 0.200 Eu 0.800 0.600 0.800 Eu 0.400 0.800 0.400 Se 0.201 0.900 0.699 Se 0.799 0.100 0.301 Se 0.399 0.303 0.899 Se 0.000 0.500 0.500 Se 0.601 0.697 0.101 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>5.028 5.028 5.028<abc><angles>60.000 60.000 60.000<angles><comp>Dy1 Ag1 Hg2<comp><coord>Dy 0.000 0.000 0.000 Ag 0.500 0.500 0.500 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>5.975 10.467 10.467<abc><angles>85.327 73.416 73.416<angles><comp>Ba9 In4<comp><coord>Ba 0.500 0.000 0.000 Ba 0.813 0.298 0.075 Ba 0.187 0.702 0.925 Ba 0.111 0.075 0.702 Ba 0.889 0.925 0.298 Ba 0.875 0.513 0.737 Ba 0.125 0.487 0.263 Ba 0.388 0.737 0.487 Ba 0.612 0.263 0.513 In 0.599 0.663 0.138 In 0.401 0.337 0.862 In 0.263 0.138 0.337 In 0.737 0.862 0.663 <coord> |
<forme>-0.27<forme><bg>0.0<bg><abc>4.667 4.667 7.689<abc><angles>90.000 90.000 90.000<angles><comp>La1 In5 Co1<comp><coord>La 0.000 0.000 0.000 In 0.500 0.500 0.000 In 0.500 0.000 0.688 In 0.000 0.500 0.312 In 0.500 0.000 0.312 In 0.000 0.500 0.688 Co 0.000 0.000 0.500 <coord> |
<forme>0.0<forme><bg>17.65<bg><abc>2.737 2.737 2.737<abc><angles>109.471 109.471 109.471<angles><comp>He1<comp><coord>He 0.000 0.000 0.000 <coord> |
<forme>-0.42<forme><bg>0.0<bg><abc>5.700 5.700 9.548<abc><angles>72.634 72.634 60.000<angles><comp>Pr3 Al6 Ag3<comp><coord>Pr 0.859 0.859 0.423 Pr 0.141 0.141 0.577 Pr 0.000 0.000 0.000 Al 0.923 0.415 0.248 Al 0.415 0.415 0.248 Al 0.415 0.923 0.248 Al 0.077 0.585 0.752 Al 0.585 0.585 0.752 Al 0.585 0.077 0.752 Ag 0.665 0.665 0.005 Ag 0.335 0.335 0.995 Ag 0.500 0.500 0.500 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.978 4.978 4.978<abc><angles>60.000 60.000 60.000<angles><comp>Y2 Zn1 Cu1<comp><coord>Y 0.250 0.250 0.250 Y 0.750 0.750 0.750 Zn 0.000 0.000 0.000 Cu 0.500 0.500 0.500 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>7.986 7.986 7.986<abc><angles>109.471 109.471 109.471<angles><comp>Sr1 Fe4 Sb12<comp><coord>Sr 0.000 0.000 0.000 Fe 0.500 0.500 0.500 Fe 0.000 0.000 0.500 Fe 0.000 0.500 0.000 Fe 0.500 0.000 0.000 Sb 0.163 0.336 0.499 Sb 0.837 0.664 0.501 Sb 0.163 0.664 0.827 Sb 0.837 0.336 0.173 Sb 0.664 0.501 0.837 Sb 0.336 0.499 0.163 Sb 0.336 0.173 0.837 Sb 0.664 0.827 0.163 Sb 0.827 0.163 0.664 Sb 0.173 0.837 0.336 Sb 0.499 0.163 0.336 Sb 0.501 0.837 0.664 <coord> |
<forme>-2.21<forme><bg>0.0<bg><abc>7.119 8.758 8.802<abc><angles>109.946 96.943 107.023<angles><comp>Tb6 Co1 Cl10<comp><coord>Tb 0.872 0.149 0.195 Tb 0.128 0.851 0.805 Tb 0.521 0.695 0.896 Tb 0.479 0.305 0.104 Tb 0.633 0.050 0.754 Tb 0.367 0.950 0.246 Co 0.500 0.000 0.000 Cl 0.749 0.082 0.458 Cl 0.251 0.918 0.542 Cl 0.947 0.826 0.077 Cl 0.053 0.174 0.923 Cl 0.300 0.262 0.356 Cl 0.700 0.738 0.644 Cl 0.591 0.371 0.836 Cl 0.409 0.629 0.164 Cl 0.866 0.469 0.282 Cl 0.134 0.531 0.718 <coord> |
<forme>-0.11<forme><bg>0.0<bg><abc>3.930 3.930 4.872<abc><angles>90.000 90.000 120.000<angles><comp>Co3 Ge2<comp><coord>Co 0.000 0.000 0.758 Co 0.000 0.000 0.242 Co 0.667 0.333 0.500 Ge 0.667 0.333 1.000 Ge 0.333 0.667 0.500 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.