text stringlengths 140 560 |
|---|
<forme>-2.07<forme><bg>0.51<bg><abc>6.311 6.386 6.386<abc><angles>90.476 119.615 119.615<angles><comp>Mn4 Sn2 O8<comp><coord>Mn 0.000 0.984 0.016 Mn 0.500 0.766 0.234 Mn 0.250 0.375 0.625 Mn 0.750 0.375 0.625 Sn 0.750 0.375 0.125 Sn 0.250 0.875 0.625 O 0.226 0.624 0.376 O 0.774 0.624 0.376 O 0.726 0.126 0.874 O 0.274 0.126 0.874 O 0.765 0.162 0.367 O 0.235 0.633 0.838 O 0.265 0.117 0.412 O 0.735 0.588 0.883 <coord> |
<forme>-0.55<forme><bg>0.0<bg><abc>4.883 4.883 4.883<abc><angles>60.000 60.000 60.000<angles><comp>Tm2 Os1 Au1<comp><coord>Tm 0.750 0.750 0.750 Tm 0.250 0.250 0.250 Os 0.000 0.000 0.000 Au 0.500 0.500 0.500 <coord> |
<forme>-0.25<forme><bg>0.0<bg><abc>4.509 4.509 4.509<abc><angles>60.000 60.000 60.000<angles><comp>Hf2 Co1 Cu1<comp><coord>Hf 0.750 0.750 0.750 Hf 0.250 0.250 0.250 Co 0.500 0.500 0.500 Cu 0.000 0.000 0.000 <coord> |
<forme>-2.55<forme><bg>0.0<bg><abc>4.060 4.060 10.272<abc><angles>101.397 101.397 90.000<angles><comp>Sr2 Ti2 As2 O1 F2<comp><coord>Sr 0.323 0.323 0.647 Sr 0.677 0.677 0.353 Ti 0.500 0.000 0.000 Ti 0.000 0.500 0.000 As 0.909 0.909 0.817 As 0.091 0.091 0.183 O 0.500 0.500 0.000 F 0.250 0.750 0.500 F 0.750 0.250 0.500 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.926 4.926 7.996<abc><angles>90.000 90.000 120.000<angles><comp>Hf3 Ta1 Fe8<comp><coord>Hf 0.667 0.333 0.560 Hf 0.667 0.333 0.937 Hf 0.333 0.667 0.065 Ta 0.333 0.667 0.437 Fe 0.000 0.000 0.499 Fe 0.000 0.000 0.000 Fe 0.832 0.168 0.252 Fe 0.832 0.664 0.252 Fe 0.336 0.168 0.252 Fe 0.168 0.832 0.748 Fe 0.168 0.337 0.748 Fe 0.663 0.832 0.748 <coord> |
<forme>-0.42<forme><bg>0.0<bg><abc>4.677 4.719 12.116<abc><angles>87.202 84.347 60.293<angles><comp>Zr4 Ni14<comp><coord>Zr 0.267 1.000 0.114 Zr 0.209 1.000 0.385 Zr 0.791 1.000 0.615 Zr 0.733 1.000 0.886 Ni 0.948 0.671 0.078 Ni 0.618 0.329 0.078 Ni 0.235 0.496 0.250 Ni 0.730 0.504 0.250 Ni 0.739 0.000 0.250 Ni 0.528 0.333 0.422 Ni 0.861 0.667 0.422 Ni 0.472 0.667 0.578 Ni 0.139 0.333 0.578 Ni 0.261 0.000 0.750 Ni 0.765 0.504 0.750 Ni 0.270 0.496 0.750 Ni 0.052 0.329 0.922 Ni 0.382 0.671 0.922 <coord> |
<forme>-0.42<forme><bg>0.41<bg><abc>4.143 4.143 4.698<abc><angles>90.000 90.000 120.000<angles><comp>Ca1 Al1 Si1 H1<comp><coord>Ca 0.000 0.000 1.000 Al 0.333 0.667 0.457 Si 0.667 0.333 0.566 H 0.333 0.667 0.084 <coord> |
<forme>0.06<forme><bg>0.0<bg><abc>8.715 10.748 10.748<abc><angles>60.000 90.000 90.000<angles><comp>Cs6 Rb2<comp><coord>Cs 0.750 0.664 0.168 Cs 0.750 0.168 0.168 Cs 0.750 0.168 0.664 Cs 0.250 0.336 0.832 Cs 0.250 0.832 0.832 Cs 0.250 0.832 0.336 Rb 0.250 0.333 0.333 Rb 0.750 0.667 0.667 <coord> |
<forme>-3.74<forme><bg>3.56<bg><abc>4.101 4.101 6.378<abc><angles>90.000 90.000 120.000<angles><comp>Ac2 O3<comp><coord>Ac 0.333 0.667 0.247 Ac 0.667 0.333 0.753 O 0.333 0.667 0.644 O 0.667 0.333 0.356 O 0.000 0.000 0.000 <coord> |
<forme>-1.33<forme><bg>1.59<bg><abc>8.152 8.152 8.152<abc><angles>60.000 60.000 60.000<angles><comp>K2 Tl1 As1 Br6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 Tl 0.500 0.500 0.500 As 0.000 0.000 0.000 Br 0.231 0.769 0.231 Br 0.231 0.231 0.769 Br 0.769 0.231 0.769 Br 0.231 0.769 0.769 Br 0.769 0.231 0.231 Br 0.769 0.769 0.231 <coord> |
<forme>-1.87<forme><bg>1.09<bg><abc>8.983 8.983 9.584<abc><angles>117.945 117.945 90.000<angles><comp>Rb6 Co2 Cl10<comp><coord>Rb 0.250 0.250 0.500 Rb 0.750 0.750 0.500 Rb 0.833 0.667 0.000 Rb 0.167 0.333 0.000 Rb 0.333 0.833 0.000 Rb 0.667 0.167 0.000 Co 0.750 0.250 0.500 Co 0.250 0.750 0.500 Cl 0.514 0.295 0.309 Cl 0.486 0.705 0.691 Cl 0.795 0.014 0.309 Cl 0.014 0.514 0.309 Cl 0.705 0.205 0.691 Cl 0.205 0.986 0.691 Cl 0.986 0.486 0.691 Cl 0.295 0.795 0.309 Cl 0.000 0.000 0.000 Cl 0.500 0.500 0.000 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>3.518 6.543 6.543<abc><angles>120.000 90.000 90.000<angles><comp>Si3 Pd6<comp><coord>Si 0.000 0.333 0.667 Si 0.000 0.667 0.333 Si 0.500 0.000 0.000 Pd 0.000 0.265 0.000 Pd 0.000 0.735 0.735 Pd 1.000 0.000 0.265 Pd 0.500 0.606 0.000 Pd 0.500 0.394 0.394 Pd 0.500 0.000 0.606 <coord> |
<forme>-1.18<forme><bg>0.04<bg><abc>4.157 9.190 10.401<abc><angles>112.380 90.000 103.072<angles><comp>Cs1 Sc3 Cu2 Te6<comp><coord>Cs 0.000 0.000 0.000 Sc 0.712 0.423 0.638 Sc 0.288 0.577 0.362 Sc 0.000 0.000 0.500 Cu 0.723 0.446 0.918 Cu 0.277 0.554 0.082 Te 0.428 0.857 0.290 Te 0.860 0.720 0.579 Te 0.297 0.595 0.854 Te 0.140 0.280 0.421 Te 0.572 0.143 0.710 Te 0.703 0.405 0.146 <coord> |
<forme>-1.55<forme><bg>0.0<bg><abc>3.765 6.651 6.651<abc><angles>107.267 90.000 90.000<angles><comp>Zr3 Se4<comp><coord>Zr 1.000 0.500 0.000 Zr 0.500 0.000 0.000 Zr 0.000 0.000 0.500 Se 0.500 0.264 0.736 Se 0.000 0.742 0.742 Se 0.500 0.736 0.264 Se 0.000 0.258 0.258 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>3.715 3.715 3.715<abc><angles>90.000 90.000 90.000<angles><comp>Pr1 Zn1<comp><coord>Pr 0.000 0.000 0.000 Zn 0.500 0.500 0.500 <coord> |
<forme>-2.17<forme><bg>2.61<bg><abc>7.328 7.410 7.410<abc><angles>60.306 60.363 60.363<angles><comp>Cs2 Sb2 W2 O12<comp><coord>Cs 0.382 0.353 0.383 Cs 0.618 0.617 0.647 Sb 0.500 0.999 0.001 Sb 0.000 0.999 0.001 W 1.000 0.498 0.002 W 0.000 0.998 0.502 O 0.323 0.928 0.926 O 0.942 0.307 0.309 O 0.934 0.935 0.320 O 0.310 0.318 0.936 O 0.936 0.318 0.936 O 0.311 0.935 0.320 O 0.677 0.074 0.072 O 0.058 0.691 0.693 O 0.064 0.064 0.682 O 0.689 0.680 0.065 O 0.066 0.680 0.065 O 0.690 0.064 0.682 <coord> |
<forme>-2.66<forme><bg>1.25<bg><abc>5.096 5.116 5.581<abc><angles>63.410 88.140 118.454<angles><comp>V3 O4 F2<comp><coord>V 0.347 0.686 0.938 V 0.137 0.268 0.565 V 0.645 0.317 0.011 O 0.068 0.464 0.786 O 0.751 0.819 0.757 O 0.399 0.119 0.800 O 0.311 0.279 0.233 F 0.519 0.814 0.260 F 0.929 0.466 0.245 <coord> |
<forme>-0.88<forme><bg>0.03<bg><abc>3.448 5.774 5.774<abc><angles>107.488 91.314 91.314<angles><comp>Cd2 Ag2 O4<comp><coord>Cd 0.500 0.000 0.500 Cd 0.500 0.500 0.000 Ag 0.000 0.000 0.000 Ag 0.000 0.500 0.500 O 0.000 0.772 0.228 O 0.370 0.252 0.252 O 0.000 0.228 0.772 O 0.630 0.748 0.748 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.641 4.641 4.641<abc><angles>60.000 60.000 60.000<angles><comp>Dy1 Nb1 Ru2<comp><coord>Dy 0.500 0.500 0.500 Nb 0.000 0.000 0.000 Ru 0.750 0.750 0.750 Ru 0.250 0.250 0.250 <coord> |
<forme>-2.7<forme><bg>4.29<bg><abc>4.029 7.510 7.510<abc><angles>120.000 90.000 90.000<angles><comp>Tb2 Cl6<comp><coord>Tb 0.250 0.333 0.667 Tb 0.750 0.667 0.333 Cl 0.750 0.303 0.394 Cl 0.250 0.394 0.091 Cl 0.750 0.606 0.909 Cl 0.750 0.091 0.697 Cl 0.250 0.697 0.606 Cl 0.250 0.909 0.303 <coord> |
<forme>-2.33<forme><bg>1.37<bg><abc>5.088 5.215 6.669<abc><angles>90.000 90.511 90.000<angles><comp>Li2 Co2 Si2 O8<comp><coord>Li 0.500 0.672 0.241 Li 1.000 0.328 0.741 Co 0.995 0.321 0.238 Co 0.495 0.679 0.738 Si 0.495 0.188 0.492 Si 0.995 0.812 0.992 O 0.046 0.122 0.008 O 0.112 0.657 0.188 O 0.635 0.310 0.292 O 0.177 0.249 0.477 O 0.546 0.878 0.508 O 0.612 0.343 0.688 O 0.135 0.690 0.792 O 0.677 0.751 0.977 <coord> |
<forme>-0.63<forme><bg>0.56<bg><abc>6.753 8.361 9.218<abc><angles>115.998 101.417 100.779<angles><comp>Ta2 Te8 I2<comp><coord>Ta 0.750 1.000 0.000 Ta 0.250 0.000 1.000 Te 0.122 0.322 0.178 Te 0.023 0.880 0.186 Te 0.386 0.850 0.705 Te 0.614 0.150 0.295 Te 0.878 0.678 0.822 Te 0.540 0.243 0.936 Te 0.460 0.757 0.064 Te 0.977 0.120 0.814 I 0.246 0.403 0.565 I 0.754 0.597 0.435 <coord> |
<forme>-0.24<forme><bg>0.0<bg><abc>5.660 5.660 7.684<abc><angles>77.791 77.791 82.213<angles><comp>Pr4 Cd2 Cu4<comp><coord>Pr 0.338 0.338 0.228 Pr 0.662 0.662 0.772 Pr 0.790 0.790 0.245 Pr 0.210 0.210 0.755 Cd 0.214 0.786 0.500 Cd 0.786 0.214 0.500 Cu 0.113 0.684 0.906 Cu 0.316 0.887 0.094 Cu 0.887 0.316 0.094 Cu 0.684 0.113 0.906 <coord> |
<forme>-0.66<forme><bg>0.52<bg><abc>5.900 5.900 7.097<abc><angles>114.563 114.563 90.000<angles><comp>In1 Cu1 Sn1 Se4<comp><coord>In 0.750 0.250 0.500 Cu 0.250 0.750 0.500 Sn 0.500 0.500 0.000 Se 0.621 0.100 0.753 Se 0.132 0.653 0.753 Se 0.900 0.868 0.247 Se 0.347 0.379 0.247 <coord> |
<forme>-0.01<forme><bg>0.0<bg><abc>3.136 3.136 10.178<abc><angles>90.000 90.000 120.000<angles><comp>Li2 Mg2<comp><coord>Li 0.333 0.667 0.376 Li 0.667 0.333 0.624 Mg 0.667 0.333 0.128 Mg 0.333 0.667 0.872 <coord> |
<forme>-0.14<forme><bg>0.0<bg><abc>4.084 4.084 4.084<abc><angles>60.000 60.000 60.000<angles><comp>Be1 Cr1 Ru2<comp><coord>Be 0.500 0.500 0.500 Cr 0.000 0.000 0.000 Ru 0.750 0.750 0.750 Ru 0.250 0.250 0.250 <coord> |
<forme>-0.44<forme><bg>0.0<bg><abc>4.669 4.669 4.669<abc><angles>60.000 60.000 60.000<angles><comp>Ho1 Sc1 Ru2<comp><coord>Ho 0.500 0.500 0.500 Sc 0.000 0.000 0.000 Ru 0.750 0.750 0.750 Ru 0.250 0.250 0.250 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>4.765 6.091 6.091<abc><angles>60.000 90.000 90.000<angles><comp>Pm2 Si6<comp><coord>Pm 0.750 0.667 0.667 Pm 0.250 0.333 0.333 Si 0.250 0.864 0.271 Si 0.250 0.864 0.864 Si 0.250 0.271 0.864 Si 0.750 0.136 0.729 Si 0.750 0.136 0.136 Si 0.750 0.729 0.136 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>4.216 8.141 8.141<abc><angles>74.818 74.993 74.993<angles><comp>Tm3 Ga9 Pt2<comp><coord>Tm 0.000 0.000 0.000 Tm 0.309 0.691 0.691 Tm 0.691 0.309 0.309 Ga 1.000 0.500 0.500 Ga 0.343 0.286 0.028 Ga 0.657 0.714 0.972 Ga 0.343 0.028 0.286 Ga 0.657 0.972 0.714 Ga 0.137 0.580 0.146 Ga 0.863 0.420 0.854 Ga 0.137 0.146 0.580 Ga 0.863 0.854 0.420 Pt 0.500 0.303 0.697 Pt 0.500 0.697 0.303 <coord> |
<forme>-2.2<forme><bg>0.0<bg><abc>4.056 5.783 10.822<abc><angles>97.874 100.799 90.000<angles><comp>Ba2 Mn6 O12<comp><coord>Ba 0.932 0.716 0.864 Ba 0.068 0.284 0.136 Mn 0.437 0.218 0.874 Mn 0.563 0.782 0.126 Mn 0.294 0.147 0.588 Mn 0.706 0.853 0.412 Mn 0.706 0.352 0.411 Mn 0.294 0.648 0.589 O 0.500 1.000 1.000 O 0.500 0.500 1.000 O 0.355 0.425 0.710 O 0.645 0.575 0.290 O 0.356 0.935 0.712 O 0.644 0.065 0.288 O 0.936 0.219 0.872 O 0.064 0.781 0.128 O 0.773 0.639 0.546 O 0.227 0.361 0.454 O 0.229 0.865 0.458 O 0.771 0.135 0.542 <coord> |
<forme>-1.84<forme><bg>0.0<bg><abc>6.464 6.464 6.464<abc><angles>109.471 109.471 109.471<angles><comp>Pr1 Mn4 Cu3 O12<comp><coord>Pr 0.000 0.000 0.000 Mn 0.500 1.000 0.000 Mn 0.000 0.000 0.500 Mn 0.500 0.500 0.500 Mn 1.000 0.500 1.000 Cu 0.500 0.000 0.500 Cu 1.000 0.500 0.500 Cu 0.500 0.500 0.000 O 0.693 0.171 0.864 O 0.864 0.693 0.171 O 0.171 0.864 0.693 O 0.829 0.136 0.307 O 0.478 0.307 0.171 O 0.522 0.693 0.829 O 0.307 0.829 0.136 O 0.829 0.522 0.693 O 0.171 0.478 0.307 O 0.693 0.829 0.522 O 0.136 0.307 0.829 O 0.307 0.171 0.478 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>5.615 5.615 5.615<abc><angles>60.000 60.000 60.000<angles><comp>La1 Pr1 Tl2<comp><coord>La 0.500 0.500 0.500 Pr 0.000 0.000 0.000 Tl 0.250 0.250 0.250 Tl 0.750 0.750 0.750 <coord> |
<forme>-0.78<forme><bg>0.0<bg><abc>3.376 3.376 14.795<abc><angles>90.000 90.000 120.000<angles><comp>Zr4 Sn2 C2<comp><coord>Zr 0.667 0.333 0.915 Zr 0.667 0.333 0.585 Zr 0.333 0.667 0.415 Zr 0.333 0.667 0.085 Sn 0.667 0.333 0.250 Sn 0.333 0.667 0.750 C 0.000 0.000 0.000 C 0.000 0.000 0.500 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>4.190 4.190 18.770<abc><angles>96.409 96.409 90.000<angles><comp>Ce4 Mg4 Si8<comp><coord>Ce 0.828 0.328 0.656 Ce 0.078 0.078 0.156 Ce 0.922 0.922 0.844 Ce 0.672 0.172 0.344 Mg 0.250 0.250 0.500 Mg 0.500 0.000 0.000 Mg 0.750 0.750 0.500 Mg 1.000 0.500 1.000 Si 0.202 0.702 0.403 Si 0.298 0.798 0.597 Si 0.452 0.452 0.903 Si 0.548 0.548 0.097 Si 0.139 0.639 0.279 Si 0.389 0.389 0.779 Si 0.611 0.611 0.221 Si 0.361 0.861 0.721 <coord> |
<forme>-0.61<forme><bg>0.0<bg><abc>4.207 4.207 5.575<abc><angles>90.000 90.000 90.000<angles><comp>Ce1 Al2 B1 Ru2<comp><coord>Ce 0.000 0.000 0.500 Al 0.500 0.500 0.740 Al 0.500 0.500 0.260 B 0.000 0.000 0.000 Ru 0.500 0.000 0.000 Ru 0.000 0.500 0.000 <coord> |
<forme>-0.24<forme><bg>0.0<bg><abc>4.032 4.032 5.674<abc><angles>90.000 90.000 120.000<angles><comp>Sn2 Ir2<comp><coord>Sn 0.333 0.667 0.250 Sn 0.667 0.333 0.750 Ir 0.000 0.000 0.500 Ir 0.000 0.000 0.000 <coord> |
<forme>-0.97<forme><bg>1.09<bg><abc>4.070 7.102 7.102<abc><angles>70.737 73.348 73.348<angles><comp>Rb2 Te2 Pt1<comp><coord>Rb 0.199 0.301 0.301 Rb 0.801 0.699 0.699 Te 0.500 0.211 0.789 Te 0.500 0.789 0.211 Pt 0.000 0.000 0.000 <coord> |
<forme>-0.17<forme><bg>0.0<bg><abc>4.396 5.483 5.483<abc><angles>74.572 66.365 66.365<angles><comp>Ce2 Cu4<comp><coord>Ce 0.476 0.774 0.274 Ce 0.524 0.226 0.726 Cu 0.166 0.369 0.299 Cu 0.834 0.631 0.701 Cu 0.166 0.799 0.869 Cu 0.834 0.201 0.131 <coord> |
<forme>-0.2<forme><bg>0.0<bg><abc>4.940 4.940 4.940<abc><angles>60.000 60.000 60.000<angles><comp>Ca1 Ag3<comp><coord>Ca 0.000 0.000 0.000 Ag 0.750 0.750 0.750 Ag 0.250 0.250 0.250 Ag 0.500 0.500 0.500 <coord> |
<forme>-0.05<forme><bg>0.0<bg><abc>4.550 4.550 5.353<abc><angles>115.148 115.148 90.000<angles><comp>Mg1 Cd3<comp><coord>Mg 0.000 0.000 0.000 Cd 0.500 0.500 0.000 Cd 0.250 0.750 0.500 Cd 0.750 0.250 0.500 <coord> |
<forme>-2.83<forme><bg>2.79<bg><abc>5.574 5.574 5.679<abc><angles>60.609 60.609 60.000<angles><comp>Na2 Nb2 O6<comp><coord>Na 0.725 0.725 0.824 Na 0.225 0.225 0.324 Nb 0.986 0.986 0.042 Nb 0.486 0.486 0.542 O 0.320 0.183 0.740 O 0.756 0.320 0.740 O 0.183 0.756 0.740 O 0.256 0.683 0.240 O 0.683 0.820 0.240 O 0.820 0.256 0.240 <coord> |
<forme>-0.15<forme><bg>0.0<bg><abc>4.191 4.191 4.191<abc><angles>60.000 60.000 60.000<angles><comp>Al1 Zn1 Cu2<comp><coord>Al 0.500 0.500 0.500 Zn 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750 <coord> |
<forme>-2.25<forme><bg>0.0<bg><abc>6.002 6.002 6.129<abc><angles>89.997 119.319 120.001<angles><comp>Li2 Cr3 Sn1 O8<comp><coord>Li 0.762 0.881 0.643 Li 0.238 0.119 0.357 Cr 0.500 1.000 1.000 Cr 0.500 0.500 1.000 Cr 1.000 0.500 1.000 Sn 1.000 0.500 0.500 O 0.461 0.730 0.191 O 0.486 0.743 0.771 O 0.028 0.743 0.771 O 0.028 0.285 0.771 O 0.972 0.715 0.229 O 0.972 0.257 0.229 O 0.514 0.257 0.229 O 0.539 0.270 0.809 <coord> |
<forme>-3.06<forme><bg>0.0<bg><abc>4.042 4.042 8.970<abc><angles>90.000 90.000 118.497<angles><comp>Eu2 B2 O6<comp><coord>Eu 0.972 0.972 0.500 Eu 0.972 0.972 0.000 B 0.493 0.243 0.250 B 0.243 0.493 0.750 O 0.654 0.321 0.391 O 0.321 0.654 0.609 O 0.321 0.654 0.891 O 0.654 0.321 0.109 O 0.104 0.049 0.250 O 0.049 0.104 0.750 <coord> |
<forme>-2.37<forme><bg>1.79<bg><abc>3.866 3.866 12.951<abc><angles>98.584 98.584 90.000<angles><comp>Ti1 Nb1 Bi3 O9<comp><coord>Ti 0.409 0.409 0.819 Nb 0.589 0.589 0.178 Bi 0.201 0.201 0.401 Bi 0.800 0.800 0.601 Bi 0.987 0.987 0.974 O 0.339 0.339 0.678 O 0.665 0.665 0.330 O 0.079 0.579 0.158 O 0.425 0.925 0.849 O 0.925 0.425 0.849 O 0.579 0.079 0.158 O 0.500 0.500 0.000 O 0.251 0.751 0.502 O 0.751 0.251 0.502 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>3.301 3.301 3.854<abc><angles>90.000 90.000 120.000<angles><comp>Y1 B2<comp><coord>Y 0.000 0.000 0.000 B 0.667 0.333 0.500 B 0.333 0.667 0.500 <coord> |
<forme>-2.08<forme><bg>2.08<bg><abc>2.972 3.683 5.426<abc><angles>109.821 105.876 90.062<angles><comp>Cr1 Li2 O2<comp><coord>Cr 1.000 0.000 0.000 Li 0.717 0.717 0.433 Li 0.283 0.283 0.567 O 0.355 0.855 0.711 O 0.645 0.145 0.289 <coord> |
<forme>0.07<forme><bg>0.0<bg><abc>3.391 3.391 14.031<abc><angles>83.060 83.060 60.000<angles><comp>Ce4 Sm1<comp><coord>Ce 0.597 0.597 0.209 Ce 0.199 0.199 0.402 Ce 0.801 0.801 0.598 Ce 0.403 0.403 0.791 Sm 0.000 0.000 0.000 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>4.810 4.810 4.810<abc><angles>60.000 60.000 60.000<angles><comp>Yb1 Gd1 Rh2<comp><coord>Yb 0.000 0.000 0.000 Gd 0.500 0.500 0.500 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>5.105 9.478 9.478<abc><angles>73.346 74.376 74.376<angles><comp>Sr3 In11<comp><coord>Sr 0.691 0.309 0.309 Sr 0.309 0.691 0.691 Sr 0.000 0.000 0.000 In 0.854 0.872 0.420 In 0.854 0.420 0.872 In 0.657 0.715 0.971 In 0.146 0.128 0.580 In 0.343 0.285 0.029 In 0.500 0.691 0.309 In 0.500 0.309 0.691 In 0.146 0.580 0.128 In 0.343 0.029 0.285 In 1.000 0.500 0.500 In 0.657 0.971 0.715 <coord> |
<forme>-0.03<forme><bg>0.0<bg><abc>5.624 5.624 5.624<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Ca2 Mg1<comp><coord>Li 0.500 0.500 0.500 Ca 0.250 0.250 0.250 Ca 0.750 0.750 0.750 Mg 0.000 0.000 0.000 <coord> |
<forme>-2.05<forme><bg>0.0<bg><abc>5.505 5.505 9.245<abc><angles>90.000 90.000 120.000<angles><comp>Ba2 Fe4 O8<comp><coord>Ba 0.000 0.000 0.250 Ba 0.000 0.000 0.750 Fe 0.667 0.333 0.548 Fe 0.333 0.667 0.048 Fe 0.333 0.667 0.452 Fe 0.667 0.333 0.952 O 0.328 0.328 0.500 O 0.328 0.000 1.000 O 1.000 0.328 0.000 O 1.000 0.672 0.500 O 0.672 0.000 0.500 O 0.672 0.672 1.000 O 0.667 0.333 0.750 O 0.333 0.667 0.250 <coord> |
<forme>-0.9<forme><bg>0.85<bg><abc>4.123 4.123 17.122<abc><angles>83.085 83.085 60.000<angles><comp>Zn4 Cd1 Se5<comp><coord>Zn 0.597 0.597 0.208 Zn 0.199 0.199 0.402 Zn 0.801 0.801 0.598 Zn 0.403 0.403 0.791 Cd 0.999 0.999 0.003 Se 0.946 0.946 0.161 Se 0.548 0.548 0.355 Se 0.150 0.150 0.550 Se 0.752 0.752 0.744 Se 0.354 0.354 0.938 <coord> |
<forme>0.06<forme><bg>0.0<bg><abc>5.688 7.115 7.115<abc><angles>60.000 90.000 90.000<angles><comp>Ce2 Er6<comp><coord>Ce 0.250 0.333 0.333 Ce 0.750 0.667 0.667 Er 0.750 0.669 0.166 Er 0.750 0.166 0.166 Er 0.750 0.166 0.669 Er 0.250 0.331 0.834 Er 0.250 0.834 0.834 Er 0.250 0.834 0.331 <coord> |
<forme>-0.36<forme><bg>0.0<bg><abc>3.992 3.992 12.476<abc><angles>99.206 99.206 90.000<angles><comp>U2 Cu4 As5<comp><coord>U 0.842 0.842 0.684 U 0.158 0.158 0.316 Cu 0.442 0.942 0.884 Cu 0.558 0.058 0.116 Cu 0.058 0.558 0.116 Cu 0.942 0.442 0.884 As 0.376 0.376 0.752 As 0.624 0.624 0.248 As 0.000 0.000 0.000 As 0.250 0.750 0.500 As 0.750 0.250 0.500 <coord> |
<forme>-0.88<forme><bg>0.0<bg><abc>3.970 4.331 5.818<abc><angles>68.149 90.000 90.000<angles><comp>Tb2 Ge2<comp><coord>Tb 0.250 0.862 0.276 Tb 0.750 0.138 0.724 Ge 0.750 0.415 0.171 Ge 0.250 0.585 0.829 <coord> |
<forme>-0.62<forme><bg>0.0<bg><abc>4.066 4.121 4.121<abc><angles>120.000 90.000 90.000<angles><comp>Y1 Zn1 Si1<comp><coord>Y 0.000 0.000 0.000 Zn 0.500 0.667 0.333 Si 0.500 0.333 0.667 <coord> |
<forme>-0.26<forme><bg>0.09<bg><abc>4.197 4.197 4.197<abc><angles>60.000 60.000 60.000<angles><comp>Nb1 Ga1 Fe2<comp><coord>Nb 0.000 0.000 0.000 Ga 0.500 0.500 0.500 Fe 0.750 0.750 0.750 Fe 0.250 0.250 0.250 <coord> |
<forme>-3.08<forme><bg>3.8<bg><abc>6.611 6.611 6.611<abc><angles>91.527 91.527 91.527<angles><comp>Ca6 W2 O12<comp><coord>Ca 0.562 0.066 0.252 Ca 0.066 0.252 0.562 Ca 0.748 0.438 0.934 Ca 0.252 0.562 0.066 Ca 0.934 0.748 0.438 Ca 0.438 0.934 0.748 W 0.000 0.000 0.000 W 0.500 0.500 0.500 O 0.717 0.062 0.932 O 0.938 0.068 0.283 O 0.422 0.217 0.547 O 0.068 0.283 0.938 O 0.547 0.422 0.217 O 0.783 0.453 0.578 O 0.217 0.547 0.422 O 0.453 0.578 0.783 O 0.932 0.717 0.062 O 0.578 0.783 0.453 O 0.062 0.932 0.717 O 0.283 0.938 0.068 <coord> |
<forme>-2.04<forme><bg>0.0<bg><abc>3.873 3.894 16.049<abc><angles>89.260 89.720 89.615<angles><comp>Sr2 Nd1 Cu3 Pb2 O8<comp><coord>Sr 0.001 0.005 0.777 Sr 0.999 0.995 0.223 Nd 0.000 0.000 0.000 Cu 0.500 0.501 0.890 Cu 0.500 0.499 0.110 Cu 0.000 0.000 0.500 Pb 0.502 0.494 0.611 Pb 0.498 0.506 0.389 O 0.504 0.502 0.747 O 0.496 0.498 0.253 O 0.000 0.501 0.903 O 0.500 1.000 0.903 O 1.000 0.499 0.097 O 0.500 0.000 0.097 O 0.031 0.091 0.614 O 0.969 0.909 0.386 <coord> |
<forme>-0.67<forme><bg>0.27<bg><abc>4.590 4.590 4.590<abc><angles>60.000 60.000 60.000<angles><comp>Dy1 Ni1 Bi1<comp><coord>Dy 0.750 0.750 0.750 Ni 0.000 0.000 0.000 Bi 0.250 0.250 0.250 <coord> |
<forme>-3.27<forme><bg>0.42<bg><abc>3.855 3.855 7.143<abc><angles>90.000 90.000 120.000<angles><comp>Tm2 Te1 O2<comp><coord>Tm 0.667 0.333 0.694 Tm 0.333 0.667 0.306 Te 0.000 0.000 0.000 O 0.667 0.333 0.380 O 0.333 0.667 0.620 <coord> |
<forme>-0.36<forme><bg>0.0<bg><abc>4.884 4.884 4.884<abc><angles>60.000 60.000 60.000<angles><comp>Er1 Sc1 Zn2<comp><coord>Er 0.500 0.500 0.500 Sc 0.000 0.000 0.000 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 <coord> |
<forme>0.03<forme><bg>0.0<bg><abc>5.026 5.026 6.168<abc><angles>114.042 114.042 90.000<angles><comp>Dy3 Y1<comp><coord>Dy 0.750 0.250 0.500 Dy 0.250 0.750 0.500 Dy 0.500 0.500 0.000 Y 0.000 0.000 0.000 <coord> |
<forme>-2.01<forme><bg>4.78<bg><abc>4.393 4.393 4.393<abc><angles>90.000 90.000 90.000<angles><comp>Cs1 Br1<comp><coord>Cs 0.000 0.000 0.000 Br 0.500 0.500 0.500 <coord> |
<forme>-1.61<forme><bg>1.4<bg><abc>4.160 4.160 8.165<abc><angles>75.241 75.241 60.000<angles><comp>Er1 Tl1 Se2<comp><coord>Er 0.000 0.000 0.000 Tl 0.500 0.500 0.500 Se 0.734 0.734 0.799 Se 0.266 0.266 0.201 <coord> |
<forme>-4.29<forme><bg>5.17<bg><abc>3.789 3.789 6.699<abc><angles>73.571 73.571 60.000<angles><comp>Er2 O2 F2<comp><coord>Er 0.259 0.259 0.222 Er 0.741 0.741 0.778 O 0.378 0.378 0.865 O 0.622 0.622 0.135 F 0.130 0.130 0.611 F 0.870 0.870 0.389 <coord> |
<forme>-2.71<forme><bg>0.42<bg><abc>5.560 5.859 7.641<abc><angles>90.000 91.503 90.000<angles><comp>Nd4 Mn2 Rh2 O12<comp><coord>Nd 0.520 0.432 0.250 Nd 0.980 0.932 0.250 Nd 0.480 0.568 0.750 Nd 0.020 0.068 0.750 Mn 0.000 0.500 0.000 Mn 0.500 0.000 0.500 Rh 0.000 0.500 0.500 Rh 0.500 0.000 0.000 O 0.397 0.033 0.256 O 0.103 0.533 0.244 O 0.603 0.967 0.744 O 0.897 0.467 0.756 O 0.805 0.200 0.052 O 0.695 0.700 0.448 O 0.193 0.800 0.550 O 0.307 0.300 0.950 O 0.195 0.800 0.948 O 0.305 0.300 0.552 O 0.807 0.200 0.450 O 0.693 0.700 0.050 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>4.709 4.709 4.709<abc><angles>60.000 60.000 60.000<angles><comp>Li1 In1 Ag2<comp><coord>Li 0.500 0.500 0.500 In 0.000 0.000 0.000 Ag 0.250 0.250 0.250 Ag 0.750 0.750 0.750 <coord> |
<forme>-0.21<forme><bg>0.0<bg><abc>5.065 6.759 6.759<abc><angles>81.929 67.994 67.994<angles><comp>Lu1 Al8 Cr4<comp><coord>Lu 0.000 0.000 0.000 Al 0.665 0.335 0.335 Al 0.335 0.665 0.665 Al 1.000 0.665 0.335 Al 0.000 0.335 0.665 Al 0.721 0.779 0.779 Al 0.279 0.221 0.221 Al 0.500 0.221 0.779 Al 0.500 0.779 0.221 Cr 0.500 0.500 1.000 Cr 0.000 0.500 0.000 Cr 0.500 0.000 0.500 Cr 0.000 0.000 0.500 <coord> |
<forme>-0.4<forme><bg>0.0<bg><abc>2.863 4.873 13.891<abc><angles>90.000 90.000 90.000<angles><comp>Nb6 Rh6<comp><coord>Nb 0.000 0.046 0.250 Nb 0.000 0.954 0.750 Nb 0.000 0.324 0.584 Nb 0.000 0.676 0.416 Nb 0.000 0.324 0.916 Nb 0.000 0.676 0.084 Rh 0.500 0.540 0.250 Rh 0.500 0.460 0.750 Rh 0.500 0.823 0.583 Rh 0.500 0.177 0.417 Rh 0.500 0.823 0.917 Rh 0.500 0.177 0.083 <coord> |
<forme>-0.69<forme><bg>2.86<bg><abc>7.102 7.102 7.102<abc><angles>109.471 109.471 109.471<angles><comp>N6 O12<comp><coord>N 0.613 1.000 0.613 N 0.387 0.387 1.000 N 0.000 0.613 0.613 N 0.000 0.387 0.387 N 0.613 0.613 1.000 N 0.387 1.000 0.387 O 0.670 0.865 0.534 O 0.195 0.330 0.865 O 0.135 0.805 0.670 O 0.466 0.330 0.135 O 0.865 0.195 0.330 O 0.805 0.670 0.135 O 0.135 0.466 0.330 O 0.865 0.534 0.670 O 0.534 0.670 0.865 O 0.330 0.865 0.195 O 0.670 0.135 0.805 O 0.330 0.135 0.466 <coord> |
<forme>-2.75<forme><bg>4.3<bg><abc>4.260 7.536 7.536<abc><angles>120.000 90.000 90.000<angles><comp>Nd2 Cl6<comp><coord>Nd 0.250 0.333 0.667 Nd 0.750 0.667 0.333 Cl 0.250 0.392 0.087 Cl 0.750 0.087 0.695 Cl 0.750 0.608 0.913 Cl 0.250 0.913 0.305 Cl 0.250 0.695 0.608 Cl 0.750 0.305 0.392 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>4.665 4.700 9.416<abc><angles>89.703 90.000 90.000<angles><comp>V9 Ga4 Fe3<comp><coord>V 0.500 0.750 0.501 V 0.750 0.002 0.248 V 0.750 0.999 0.751 V 0.000 0.497 0.121 V 0.000 0.497 0.626 V 0.500 0.257 0.002 V 0.500 0.248 0.500 V 0.250 0.002 0.248 V 0.250 0.999 0.751 Ga 0.500 0.502 0.249 Ga 0.500 0.501 0.754 Ga 0.000 0.995 0.999 Ga 0.000 1.000 0.499 Fe 0.000 0.499 0.373 Fe 0.000 0.500 0.876 Fe 0.500 0.752 0.002 <coord> |
<forme>-2.99<forme><bg>3.22<bg><abc>4.322 4.322 7.677<abc><angles>106.350 106.350 90.000<angles><comp>Rb2 Mn1 F4<comp><coord>Rb 0.353 0.353 0.705 Rb 0.647 0.647 0.295 Mn 0.000 0.000 0.000 F 0.153 0.153 0.306 F 0.847 0.847 0.694 F 0.500 0.000 0.000 F 0.000 0.500 0.000 <coord> |
<forme>-0.77<forme><bg>0.0<bg><abc>4.603 4.603 4.603<abc><angles>60.000 60.000 60.000<angles><comp>Hf1 Sn1 Rh2<comp><coord>Hf 0.500 0.500 0.500 Sn 0.000 0.000 0.000 Rh 0.750 0.750 0.750 Rh 0.250 0.250 0.250 <coord> |
<forme>-0.89<forme><bg>0.32<bg><abc>3.345 3.345 38.034<abc><angles>90.000 90.000 120.000<angles><comp>Te2 Mo4 Se4 S2<comp><coord>Te 0.667 0.333 0.293 Te 0.667 0.333 0.392 Mo 0.667 0.333 0.906 Mo 0.667 0.333 0.530 Mo 0.333 0.667 0.718 Mo 0.333 0.667 0.342 Se 0.667 0.333 0.674 Se 0.333 0.667 0.574 Se 0.333 0.667 0.487 Se 0.667 0.333 0.762 S 0.333 0.667 0.946 S 0.333 0.667 0.866 <coord> |
<forme>-0.89<forme><bg>0.0<bg><abc>4.247 4.247 4.247<abc><angles>60.000 60.000 60.000<angles><comp>Ti1 Si1 Ru2<comp><coord>Ti 0.000 0.000 0.000 Si 0.500 0.500 0.500 Ru 0.750 0.750 0.750 Ru 0.250 0.250 0.250 <coord> |
<forme>-3.15<forme><bg>3.89<bg><abc>5.085 5.531 7.139<abc><angles>67.205 72.692 90.000<angles><comp>Mg2 Sn2 F8<comp><coord>Mg 0.500 0.313 0.000 Mg 0.000 0.847 1.000 Sn 0.279 0.520 0.408 Sn 0.721 0.928 0.592 F 0.687 0.735 0.275 F 0.470 0.550 0.703 F 0.789 0.136 0.868 F 0.792 0.639 0.895 F 0.208 0.534 0.105 F 0.211 0.003 0.132 F 0.530 0.253 0.297 F 0.313 0.010 0.725 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>6.323 10.173 10.174<abc><angles>119.996 90.000 90.000<angles><comp>Nd14 Rh6<comp><coord>Nd 0.465 0.667 0.333 Nd 0.965 0.333 0.667 Nd 0.252 0.874 0.749 Nd 0.252 0.874 0.126 Nd 0.252 0.251 0.126 Nd 0.752 0.126 0.251 Nd 0.752 0.126 0.874 Nd 0.752 0.749 0.874 Nd 0.442 0.458 0.916 Nd 0.442 0.458 0.542 Nd 0.442 0.084 0.542 Nd 0.942 0.542 0.084 Nd 0.942 0.542 0.458 Nd 0.942 0.916 0.458 Rh 0.182 0.189 0.377 Rh 0.182 0.189 0.811 Rh 0.182 0.623 0.811 Rh 0.682 0.811 0.623 Rh 0.682 0.811 0.189 Rh 0.682 0.377 0.189 <coord> |
<forme>-0.16<forme><bg>0.0<bg><abc>4.563 4.563 6.304<abc><angles>90.000 90.000 90.000<angles><comp>Zn1 Sn1 Sb2<comp><coord>Zn 0.000 0.000 0.000 Sn 0.500 0.500 0.500 Sb 0.000 0.500 0.222 Sb 0.500 0.000 0.778 <coord> |
<forme>-1.32<forme><bg>0.0<bg><abc>4.428 7.751 11.650<abc><angles>90.000 90.000 106.597<angles><comp>Ba2 Yb2 Cu2 Te6<comp><coord>Ba 0.748 0.496 0.750 Ba 0.252 0.504 0.250 Yb 0.000 0.000 0.000 Yb 0.000 0.000 0.500 Cu 0.465 0.930 0.750 Cu 0.535 0.070 0.250 Te 0.360 0.721 0.935 Te 0.640 0.279 0.065 Te 0.640 0.279 0.435 Te 0.360 0.721 0.565 Te 0.065 0.130 0.750 Te 0.935 0.870 0.250 <coord> |
<forme>-0.59<forme><bg>0.0<bg><abc>6.215 8.389 8.389<abc><angles>67.960 68.259 68.259<angles><comp>Ba4 Cu6 P8<comp><coord>Ba 0.891 0.313 0.905 Ba 0.109 0.687 0.095 Ba 0.609 0.095 0.687 Ba 0.391 0.905 0.313 Cu 0.250 0.500 0.500 Cu 0.750 0.500 0.500 Cu 0.529 0.721 0.721 Cu 0.971 0.279 0.279 Cu 0.029 0.721 0.721 Cu 0.471 0.279 0.279 P 0.122 0.246 0.511 P 0.878 0.754 0.489 P 0.378 0.489 0.754 P 0.622 0.511 0.246 P 0.340 0.292 0.027 P 0.660 0.708 0.973 P 0.840 0.027 0.292 P 0.160 0.973 0.708 <coord> |
<forme>-1.02<forme><bg>2.35<bg><abc>5.878 7.257 12.103<abc><angles>90.000 90.000 104.546<angles><comp>Rb4 B4 S12<comp><coord>Rb 0.703 0.259 0.081 Rb 0.797 0.741 0.581 Rb 0.297 0.741 0.919 Rb 0.203 0.259 0.419 B 0.692 0.712 0.233 B 0.808 0.288 0.733 B 0.308 0.288 0.767 B 0.192 0.712 0.267 S 0.173 0.932 0.177 S 0.327 0.068 0.677 S 0.827 0.068 0.823 S 0.673 0.932 0.323 S 0.351 0.813 0.400 S 0.149 0.187 0.900 S 0.649 0.187 0.600 S 0.851 0.813 0.100 S 0.384 0.561 0.199 S 0.116 0.439 0.699 S 0.616 0.439 0.801 S 0.884 0.561 0.301 <coord> |
<forme>-3.26<forme><bg>5.63<bg><abc>7.051 7.363 7.363<abc><angles>120.000 90.000 90.000<angles><comp>Si6 O12<comp><coord>Si 0.583 0.466 0.233 Si 0.083 0.534 0.767 Si 0.250 0.767 0.233 Si 0.417 0.233 0.466 Si 0.750 0.233 0.767 Si 0.917 0.767 0.534 O 0.917 0.388 0.776 O 0.833 0.000 0.685 O 0.583 0.224 0.612 O 0.667 0.315 0.000 O 0.167 0.685 0.000 O 0.250 0.388 0.612 O 0.083 0.776 0.388 O 0.000 0.685 0.685 O 0.333 1.000 0.315 O 0.750 0.612 0.388 O 0.417 0.612 0.224 O 0.500 0.315 0.315 <coord> |
<forme>-0.09<forme><bg>0.0<bg><abc>4.178 5.022 5.545<abc><angles>116.930 90.000 90.000<angles><comp>Sr1 Cu4 Ag1<comp><coord>Sr 0.000 1.000 0.000 Cu 0.000 0.308 0.616 Cu 0.000 0.692 0.384 Cu 0.500 0.500 0.500 Cu 0.500 1.000 0.500 Ag 0.500 0.500 0.000 <coord> |
<forme>-0.79<forme><bg>0.0<bg><abc>3.771 6.565 11.269<abc><angles>89.714 90.000 90.000<angles><comp>Zr3 Ta3 Si6 Ru6<comp><coord>Zr 0.500 0.288 0.290 Zr 0.500 0.289 0.710 Zr 0.500 0.789 0.209 Ta 0.500 0.423 0.999 Ta 0.500 0.921 0.502 Ta 0.500 0.789 0.791 Si 0.500 0.006 0.996 Si 0.500 0.507 0.500 Si 0.000 0.993 0.667 Si 0.000 0.498 0.162 Si 0.000 0.503 0.835 Si 0.000 0.997 0.338 Ru 0.000 0.252 0.502 Ru 0.000 0.754 0.997 Ru 0.000 0.625 0.624 Ru 0.000 0.123 0.121 Ru 0.000 0.122 0.876 Ru 0.000 0.623 0.379 <coord> |
<forme>-0.42<forme><bg>0.0<bg><abc>4.346 4.346 6.224<abc><angles>110.434 110.434 90.000<angles><comp>Ce1 Ga3 Ag1<comp><coord>Ce 0.000 0.000 0.000 Ga 0.387 0.387 0.773 Ga 0.613 0.613 0.227 Ga 0.250 0.750 0.500 Ag 0.750 0.250 0.500 <coord> |
<forme>-0.6<forme><bg>0.0<bg><abc>4.017 5.372 5.372<abc><angles>120.000 90.000 90.000<angles><comp>Pr1 Al3 Ni2<comp><coord>Pr 0.000 0.000 0.000 Al 0.500 0.500 0.500 Al 0.500 0.500 0.000 Al 0.500 0.000 0.500 Ni 0.000 0.333 0.667 Ni 0.000 0.667 0.333 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>3.967 3.967 3.967<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Co2 Ge1<comp><coord>Li 0.500 0.500 0.500 Co 0.750 0.750 0.750 Co 0.250 0.250 0.250 Ge 0.000 0.000 0.000 <coord> |
<forme>-0.6<forme><bg>0.0<bg><abc>4.154 4.154 4.154<abc><angles>90.000 90.000 90.000<angles><comp>Pu1 Pd3<comp><coord>Pu 0.000 0.000 0.000 Pd 0.000 0.500 0.500 Pd 0.500 0.500 0.000 Pd 0.500 0.000 0.500 <coord> |
<forme>-0.36<forme><bg>0.0<bg><abc>6.620 9.709 9.709<abc><angles>120.000 90.000 90.000<angles><comp>Ce10 Ag2 Pb6<comp><coord>Ce 0.500 0.333 0.667 Ce 0.500 0.667 0.333 Ce 0.000 0.667 0.333 Ce 0.000 0.333 0.667 Ce 0.750 0.283 0.000 Ce 0.750 0.717 0.717 Ce 0.750 0.000 0.283 Ce 0.250 0.717 0.000 Ce 0.250 0.283 0.283 Ce 0.250 0.000 0.717 Ag 0.500 0.000 0.000 Ag 0.000 0.000 0.000 Pb 0.750 0.628 0.000 Pb 0.750 0.372 0.372 Pb 0.750 0.000 0.628 Pb 0.250 0.372 0.000 Pb 0.250 0.628 0.628 Pb 0.250 0.000 0.372 <coord> |
<forme>-1.69<forme><bg>1.61<bg><abc>7.346 7.354 10.431<abc><angles>90.000 90.525 90.000<angles><comp>K4 Pb2 Cl12<comp><coord>K 0.509 0.960 0.245 K 0.491 0.040 0.755 K 0.991 0.460 0.255 K 0.009 0.540 0.745 Pb 0.500 0.500 0.500 Pb 0.000 0.000 0.000 Cl 0.781 0.707 0.475 Cl 0.219 0.293 0.525 Cl 0.719 0.207 0.025 Cl 0.281 0.793 0.975 Cl 0.704 0.217 0.478 Cl 0.296 0.783 0.522 Cl 0.796 0.717 0.022 Cl 0.204 0.283 0.978 Cl 0.452 0.503 0.256 Cl 0.548 0.497 0.744 Cl 0.048 0.003 0.244 Cl 0.952 0.997 0.756 <coord> |
<forme>-1.14<forme><bg>0.0<bg><abc>6.715 6.715 6.715<abc><angles>90.000 90.000 90.000<angles><comp>Y2 Pd6 S8<comp><coord>Y 0.000 0.000 0.000 Y 0.500 0.500 0.500 Pd 0.250 0.000 0.500 Pd 0.750 0.000 0.500 Pd 0.500 0.250 0.000 Pd 0.500 0.750 0.000 Pd 0.000 0.500 0.250 Pd 0.000 0.500 0.750 S 0.250 0.250 0.250 S 0.750 0.750 0.750 S 0.750 0.750 0.250 S 0.750 0.250 0.750 S 0.250 0.250 0.750 S 0.250 0.750 0.250 S 0.250 0.750 0.750 S 0.750 0.250 0.250 <coord> |
<forme>-0.44<forme><bg>0.0<bg><abc>3.046 3.125 13.188<abc><angles>90.000 90.000 90.000<angles><comp>Mn3 B8 Mo3<comp><coord>Mn 0.000 0.000 0.190 Mn 0.500 0.500 0.676 Mn 0.500 0.500 0.313 B 0.500 0.000 0.425 B 0.000 0.500 0.939 B 0.000 0.500 0.078 B 0.500 0.000 0.564 B 0.000 0.000 0.351 B 0.500 0.500 0.863 B 0.500 0.500 0.151 B 0.000 0.000 0.637 Mo 0.000 0.000 0.812 Mo 0.500 0.000 0.008 Mo 0.000 0.500 0.494 <coord> |
<forme>-2.9<forme><bg>0.0<bg><abc>4.298 4.298 8.660<abc><angles>90.000 90.000 90.000<angles><comp>K2 Pu2 O5<comp><coord>K 0.000 0.000 0.000 K 0.000 0.000 0.500 Pu 0.500 0.500 0.748 Pu 0.500 0.500 0.252 O 0.000 0.500 0.781 O 0.000 0.500 0.219 O 0.500 0.500 0.500 O 0.500 0.000 0.781 O 0.500 0.000 0.219 <coord> |
<forme>-1.87<forme><bg>0.0<bg><abc>4.077 4.077 8.363<abc><angles>90.000 90.000 90.000<angles><comp>Y2 Se4<comp><coord>Y 0.000 0.500 0.726 Y 0.500 0.000 0.274 Se 0.500 0.500 0.000 Se 0.000 0.000 0.000 Se 0.500 0.000 0.630 Se 0.000 0.500 0.370 <coord> |
<forme>-0.47<forme><bg>0.64<bg><abc>8.983 9.267 8.983<abc><angles>61.007 90.000 118.993<angles><comp>Tl9 Bi1 Te6<comp><coord>Tl 0.989 0.684 0.805 Tl 0.805 0.316 0.695 Tl 0.000 0.000 0.000 Tl 0.695 0.684 0.511 Tl 0.511 0.316 0.989 Tl 0.489 0.684 0.011 Tl 0.305 0.316 0.489 Tl 0.195 0.684 0.305 Tl 0.011 0.316 0.195 Bi 0.500 1.000 0.500 Te 0.739 0.478 0.261 Te 0.826 0.000 0.652 Te 0.652 0.000 0.174 Te 0.261 0.522 0.739 Te 0.348 1.000 0.826 Te 0.174 1.000 0.348 <coord> |
<forme>-1.37<forme><bg>2.08<bg><abc>7.731 7.731 7.731<abc><angles>60.000 60.000 60.000<angles><comp>K2 Te1 Br6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 Te 0.000 0.000 0.000 Br 0.750 0.750 0.250 Br 0.250 0.250 0.750 Br 0.750 0.250 0.750 Br 0.250 0.750 0.250 Br 0.250 0.750 0.750 Br 0.750 0.250 0.250 <coord> |
<forme>-0.16<forme><bg>0.0<bg><abc>4.170 4.170 4.170<abc><angles>90.000 90.000 90.000<angles><comp>Mg1 Ag3<comp><coord>Mg 0.000 0.000 0.000 Ag 0.500 0.500 0.000 Ag 0.500 0.000 0.500 Ag 0.000 0.500 0.500 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.