text stringlengths 140 560 |
|---|
<forme>-0.22<forme><bg>0.0<bg><abc>5.082 6.731 6.731<abc><angles>81.807 67.821 67.821<angles><comp>Np1 Al8 Cu4<comp><coord>Np 0.000 0.000 0.000 Al 0.345 0.655 0.655 Al 0.000 0.655 0.345 Al 0.000 0.345 0.655 Al 0.655 0.345 0.345 Al 0.283 0.217 0.217 Al 0.500 0.217 0.783 Al 0.500 0.783 0.217 Al 0.717 0.783 0.783 Cu 0.500 0.500 0.000 Cu 0.000 0.000 0.500 Cu 0.500 1.000 0.500 Cu 0.000 0.500 0.000 <coord> |
<forme>-0.04<forme><bg>0.0<bg><abc>4.988 4.988 4.988<abc><angles>60.000 60.000 60.000<angles><comp>Zr1 Nb1 Cr4<comp><coord>Zr 0.000 0.000 0.000 Nb 0.750 0.750 0.750 Cr 0.375 0.874 0.375 Cr 0.375 0.375 0.375 Cr 0.375 0.375 0.874 Cr 0.874 0.375 0.375 <coord> |
<forme>-0.07<forme><bg>0.0<bg><abc>4.965 4.965 4.965<abc><angles>90.000 90.000 90.000<angles><comp>V6 Sn2<comp><coord>V 0.500 0.250 0.000 V 0.500 0.750 0.000 V 0.250 0.000 0.500 V 0.750 0.000 0.500 V 0.000 0.500 0.250 V 0.000 0.500 0.750 Sn 0.500 0.500 0.500 Sn 0.000 0.000 0.000 <coord> |
<forme>-0.95<forme><bg>0.0<bg><abc>5.624 6.720 6.720<abc><angles>65.512 65.261 65.261<angles><comp>Nd2 Si4 Ir6<comp><coord>Nd 0.528 0.750 0.750 Nd 0.472 0.250 0.250 Si 0.877 0.920 0.920 Si 0.123 0.080 0.080 Si 0.218 0.580 0.580 Si 0.782 0.420 0.420 Ir 0.000 0.000 0.500 Ir 0.000 0.500 1.000 Ir 0.000 0.280 0.720 Ir 1.000 0.720 0.280 Ir 0.500 0.220 0.780 Ir 0.500 0.780 0.220 <coord> |
<forme>-2.23<forme><bg>0.0<bg><abc>3.849 3.913 11.822<abc><angles>90.000 90.000 90.000<angles><comp>Ba2 Ho1 Co1 Cu2 O7<comp><coord>Ba 0.500 0.500 0.184 Ba 0.500 0.500 0.816 Ho 0.500 0.500 0.500 Co 0.000 0.000 0.000 Cu 0.000 0.000 0.359 Cu 0.000 0.000 0.641 O 0.500 0.000 0.379 O 0.500 0.000 0.621 O 0.000 0.000 0.153 O 0.000 0.000 0.847 O 0.000 0.500 0.379 O 0.000 0.500 0.621 O 0.000 0.500 0.000 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>4.555 6.013 10.952<abc><angles>101.929 90.000 90.000<angles><comp>Pu16<comp><coord>Pu 0.750 0.350 0.537 Pu 0.750 0.665 0.843 Pu 0.250 0.018 0.618 Pu 0.250 0.650 0.463 Pu 0.250 0.302 0.927 Pu 0.250 0.866 0.891 Pu 0.750 0.557 0.363 Pu 0.250 0.749 0.170 Pu 0.750 0.698 0.073 Pu 0.750 0.892 0.673 Pu 0.750 0.982 0.382 Pu 0.250 0.443 0.637 Pu 0.750 0.251 0.830 Pu 0.250 0.335 0.157 Pu 0.750 0.134 0.109 Pu 0.250 0.108 0.327 <coord> |
<forme>-0.4<forme><bg>0.0<bg><abc>6.693 6.693 6.693<abc><angles>90.000 90.000 90.000<angles><comp>Mn4 Te8<comp><coord>Mn 0.000 0.000 0.000 Mn 0.500 0.000 0.500 Mn 0.500 0.500 0.000 Mn 0.000 0.500 0.500 Te 0.366 0.366 0.366 Te 0.134 0.634 0.866 Te 0.866 0.134 0.634 Te 0.634 0.866 0.134 Te 0.634 0.634 0.634 Te 0.866 0.366 0.134 Te 0.134 0.866 0.366 Te 0.366 0.134 0.866 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>5.360 5.360 5.360<abc><angles>60.000 60.000 60.000<angles><comp>Y2 Tl1 In1<comp><coord>Y 0.250 0.250 0.250 Y 0.750 0.750 0.750 Tl 0.000 0.000 0.000 In 0.500 0.500 0.500 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>6.521 6.798 7.854<abc><angles>90.000 90.000 90.000<angles><comp>Co2 Cu4 Ge2 Se8<comp><coord>Co 0.506 0.339 0.000 Co 0.006 0.661 0.500 Cu 0.513 0.826 0.249 Cu 0.013 0.174 0.251 Cu 0.013 0.174 0.749 Cu 0.513 0.826 0.751 Ge 0.003 0.669 0.000 Ge 0.503 0.331 0.500 Se 0.872 0.332 0.000 Se 0.372 0.668 0.500 Se 0.882 0.839 0.259 Se 0.382 0.161 0.241 Se 0.382 0.161 0.759 Se 0.882 0.839 0.741 Se 0.381 0.665 0.000 Se 0.881 0.335 0.500 <coord> |
<forme>-3.0<forme><bg>0.76<bg><abc>3.881 5.641 5.690<abc><angles>90.000 90.000 90.000<angles><comp>La2 Ti2 N2 O4<comp><coord>La 0.000 0.250 0.234 La 0.000 0.750 0.766 Ti 0.500 0.250 0.731 Ti 0.500 0.750 0.269 N 0.500 0.000 0.500 N 0.500 0.500 0.500 O 0.500 0.000 0.000 O 0.500 0.500 0.000 O 0.000 0.750 0.219 O 0.000 0.250 0.781 <coord> |
<forme>-0.17<forme><bg>0.0<bg><abc>4.758 4.758 4.758<abc><angles>60.000 60.000 60.000<angles><comp>Mg1 Cd1 Ag2<comp><coord>Mg 0.500 0.500 0.500 Cd 0.000 0.000 0.000 Ag 0.750 0.750 0.750 Ag 0.250 0.250 0.250 <coord> |
<forme>-3.06<forme><bg>2.1<bg><abc>6.068 6.077 8.539<abc><angles>89.880 90.809 89.901<angles><comp>Ba2 Sr2 Nd2 W2 O12<comp><coord>Ba 0.493 0.527 0.751 Ba 0.507 0.473 0.249 Sr 0.007 0.034 0.747 Sr 0.993 0.966 0.253 Nd 0.000 0.500 1.000 Nd 0.500 0.000 0.500 W 0.500 0.000 0.000 W 0.000 0.500 0.500 O 0.763 0.197 0.046 O 0.736 0.696 0.474 O 0.237 0.803 0.954 O 0.264 0.304 0.526 O 0.704 0.740 0.043 O 0.808 0.226 0.454 O 0.296 0.260 0.957 O 0.192 0.774 0.546 O 0.587 0.002 0.773 O 0.932 0.469 0.729 O 0.413 0.998 0.227 O 0.068 0.531 0.271 <coord> |
<forme>-2.55<forme><bg>4.84<bg><abc>5.018 5.964 5.964<abc><angles>120.000 90.000 90.000<angles><comp>Tl2 Ge1 F6<comp><coord>Tl 0.683 0.667 0.333 Tl 0.317 0.333 0.667 Ge 0.000 0.000 0.000 F 0.793 0.147 0.295 F 0.207 0.853 0.705 F 0.793 0.147 0.853 F 0.207 0.853 0.147 F 0.793 0.705 0.853 F 0.207 0.295 0.147 <coord> |
<forme>-0.15<forme><bg>0.0<bg><abc>4.647 4.647 4.647<abc><angles>60.000 60.000 60.000<angles><comp>Mg1 Ga1 Ag2<comp><coord>Mg 0.000 0.000 0.000 Ga 0.500 0.500 0.500 Ag 0.250 0.250 0.250 Ag 0.750 0.750 0.750 <coord> |
<forme>-1.29<forme><bg>0.91<bg><abc>7.132 7.132 8.011<abc><angles>98.627 98.627 119.811<angles><comp>Na4 Eu1 Si2 Se6<comp><coord>Na 0.173 0.827 0.000 Na 0.827 0.173 0.000 Na 0.500 0.500 0.000 Na 0.334 0.666 0.500 Eu 0.666 0.334 0.500 Si 0.950 0.950 0.346 Si 0.050 0.050 0.654 Se 0.226 0.226 0.255 Se 0.774 0.774 0.745 Se 0.918 0.610 0.254 Se 0.611 0.920 0.254 Se 0.080 0.389 0.746 Se 0.390 0.082 0.746 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>5.108 7.756 7.756<abc><angles>83.775 70.773 70.773<angles><comp>Nb10 Ga6<comp><coord>Nb 0.250 0.500 0.500 Nb 0.750 0.500 0.500 Nb 0.778 0.297 0.146 Nb 0.222 0.703 0.854 Nb 0.722 0.854 0.703 Nb 0.278 0.146 0.297 Nb 0.924 0.854 0.297 Nb 0.076 0.146 0.703 Nb 0.424 0.297 0.854 Nb 0.576 0.703 0.146 Ga 0.750 1.000 0.000 Ga 0.250 1.000 0.000 Ga 0.334 0.832 0.500 Ga 0.666 0.168 0.500 Ga 0.166 0.500 0.168 Ga 0.834 0.500 0.832 <coord> |
<forme>-1.51<forme><bg>0.0<bg><abc>6.457 6.477 6.477<abc><angles>70.456 70.591 109.401<angles><comp>Sr1 Fe4 Cu3 O12<comp><coord>Sr 0.000 0.000 0.000 Fe 1.000 1.000 0.500 Fe 1.000 0.500 1.000 Fe 0.500 0.500 0.500 Fe 0.500 0.000 1.000 Cu 0.000 0.500 0.500 Cu 0.500 0.500 1.000 Cu 0.500 0.000 0.500 O 0.145 0.830 0.684 O 0.855 0.170 0.316 O 0.515 0.828 0.317 O 0.485 0.172 0.683 O 0.829 0.684 0.486 O 0.171 0.316 0.514 O 0.832 0.317 0.855 O 0.168 0.683 0.145 O 0.315 0.486 0.830 O 0.685 0.514 0.170 O 0.687 0.855 0.828 O 0.313 0.145 0.172 <coord> |
<forme>-1.22<forme><bg>1.29<bg><abc>6.446 6.446 7.777<abc><angles>65.516 65.516 60.000<angles><comp>Cr2 Br6<comp><coord>Cr 0.667 0.667 0.000 Cr 0.333 0.333 1.000 Br 0.571 0.930 0.210 Br 0.288 0.571 0.210 Br 0.930 0.288 0.210 Br 0.712 0.429 0.790 Br 0.070 0.712 0.790 Br 0.429 0.070 0.790 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>5.279 6.661 6.663<abc><angles>79.700 66.664 66.657<angles><comp>Ba2 Cd2 Sn2<comp><coord>Ba 0.543 0.207 0.707 Ba 0.457 0.793 0.293 Cd 0.160 0.402 0.277 Cd 0.840 0.598 0.723 Sn 0.839 0.220 0.102 Sn 0.161 0.780 0.898 <coord> |
<forme>-2.41<forme><bg>0.0<bg><abc>4.731 5.727 7.879<abc><angles>86.534 88.821 88.816<angles><comp>Mn6 O5 F7<comp><coord>Mn 0.513 0.510 0.011 Mn 0.551 0.827 0.659 Mn 0.488 0.169 0.334 Mn 0.972 0.333 0.683 Mn 0.987 0.663 0.322 Mn 0.988 0.986 0.989 O 0.810 0.042 0.775 O 0.811 0.707 0.096 O 0.693 0.528 0.780 O 0.691 0.879 0.427 O 0.312 0.464 0.235 F 0.793 0.363 0.437 F 0.708 0.200 0.109 F 0.286 0.140 0.572 F 0.313 0.805 0.880 F 0.174 0.625 0.564 F 0.201 0.971 0.212 F 0.210 0.290 0.916 <coord> |
<forme>-0.97<forme><bg>0.0<bg><abc>3.405 8.897 9.974<abc><angles>115.248 90.000 90.000<angles><comp>Nb2 Cr2 S10<comp><coord>Nb 0.750 0.776 0.862 Nb 0.250 0.224 0.138 Cr 0.750 0.071 0.400 Cr 0.250 0.929 0.600 S 0.750 0.135 0.648 S 0.250 0.865 0.352 S 0.750 0.013 0.135 S 0.250 0.987 0.865 S 0.750 0.737 0.590 S 0.250 0.263 0.410 S 0.750 0.461 0.245 S 0.250 0.539 0.755 S 0.750 0.341 0.017 S 0.250 0.659 0.983 <coord> |
<forme>-0.04<forme><bg>0.0<bg><abc>3.176 5.220 5.354<abc><angles>90.000 90.000 90.000<angles><comp>Mg1 Cd3<comp><coord>Mg 0.000 0.500 0.336 Cd 0.000 0.000 0.002 Cd 0.500 0.000 0.498 Cd 0.500 0.500 0.831 <coord> |
<forme>-2.01<forme><bg>3.72<bg><abc>8.224 8.224 8.224<abc><angles>60.000 60.000 60.000<angles><comp>Cs3 In1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Cs 0.500 0.500 0.500 In 0.000 0.000 0.000 Cl 0.219 0.781 0.219 Cl 0.219 0.219 0.781 Cl 0.781 0.219 0.781 Cl 0.219 0.781 0.781 Cl 0.781 0.219 0.219 Cl 0.781 0.781 0.219 <coord> |
<forme>-2.66<forme><bg>3.51<bg><abc>5.210 5.210 6.323<abc><angles>90.000 90.000 113.495<angles><comp>Li2 Mg2 V2 O8<comp><coord>Li 0.163 0.837 0.250 Li 0.837 0.163 0.750 Mg 0.500 0.500 0.500 Mg 0.500 0.500 0.000 V 0.854 0.146 0.250 V 0.146 0.854 0.750 O 0.740 0.260 0.029 O 0.774 0.734 0.750 O 0.226 0.266 0.250 O 0.260 0.740 0.529 O 0.260 0.740 0.971 O 0.734 0.774 0.250 O 0.266 0.226 0.750 O 0.740 0.260 0.471 <coord> |
<forme>-1.11<forme><bg>0.0<bg><abc>4.899 4.899 4.899<abc><angles>60.000 60.000 60.000<angles><comp>Er2 Pd1 Pt1<comp><coord>Er 0.750 0.750 0.750 Er 0.250 0.250 0.250 Pd 0.500 0.500 0.500 Pt 0.000 0.000 0.000 <coord> |
<forme>-2.17<forme><bg>2.12<bg><abc>7.651 7.651 7.651<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Gd1 Ag1 Cl6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Gd 0.000 0.000 0.000 Ag 0.500 0.500 0.500 Cl 0.246 0.754 0.246 Cl 0.246 0.246 0.754 Cl 0.754 0.246 0.754 Cl 0.246 0.754 0.754 Cl 0.754 0.246 0.246 Cl 0.754 0.754 0.246 <coord> |
<forme>-0.49<forme><bg>0.35<bg><abc>4.958 4.958 4.958<abc><angles>60.000 60.000 60.000<angles><comp>Na1 Li2 Bi1<comp><coord>Na 0.000 0.000 0.000 Li 0.250 0.250 0.250 Li 0.750 0.750 0.750 Bi 0.500 0.500 0.500 <coord> |
<forme>0.0<forme><bg>0.0<bg><abc>2.798 2.798 2.798<abc><angles>60.000 60.000 60.000<angles><comp>Pd1<comp><coord>Pd 0.000 0.000 0.000 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>5.118 5.118 5.118<abc><angles>60.000 60.000 60.000<angles><comp>Dy1 In1 Cu4<comp><coord>Dy 0.000 0.000 0.000 In 0.750 0.750 0.750 Cu 0.375 0.874 0.375 Cu 0.375 0.375 0.375 Cu 0.375 0.375 0.874 Cu 0.874 0.375 0.375 <coord> |
<forme>-3.04<forme><bg>0.74<bg><abc>5.416 7.088 7.414<abc><angles>66.589 70.212 71.685<angles><comp>Ba2 V1 Cu2 F12<comp><coord>Ba 0.223 0.792 0.281 Ba 0.777 0.208 0.719 V 0.000 0.500 0.000 Cu 0.450 0.216 0.333 Cu 0.550 0.784 0.667 F 0.032 0.233 0.004 F 0.968 0.767 0.996 F 0.101 0.394 0.254 F 0.899 0.606 0.746 F 0.637 0.502 0.141 F 0.363 0.498 0.859 F 0.767 0.049 0.441 F 0.233 0.951 0.559 F 0.325 0.349 0.534 F 0.675 0.651 0.466 F 0.534 0.088 0.135 F 0.466 0.912 0.865 <coord> |
<forme>-2.12<forme><bg>1.72<bg><abc>7.242 7.242 7.242<abc><angles>109.153 109.631 109.631<angles><comp>Tb5 Ag1 S8<comp><coord>Tb 0.119 0.884 0.498 Tb 0.614 0.235 0.116 Tb 0.881 0.379 0.765 Tb 0.500 0.750 0.250 Tb 0.386 0.502 0.621 Ag 0.000 0.000 0.000 S 0.748 0.628 0.019 S 0.741 0.609 0.498 S 0.111 0.502 0.243 S 0.392 0.120 0.372 S 0.608 0.981 0.728 S 0.259 0.757 0.868 S 0.889 0.132 0.391 S 0.252 0.272 0.880 <coord> |
<forme>-1.55<forme><bg>0.01<bg><abc>7.537 7.537 7.537<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Tl1 Ag1 Cl6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Tl 0.000 0.000 0.000 Ag 0.500 0.500 0.500 Cl 0.249 0.751 0.249 Cl 0.249 0.249 0.751 Cl 0.751 0.249 0.751 Cl 0.249 0.751 0.751 Cl 0.751 0.249 0.249 Cl 0.751 0.751 0.249 <coord> |
<forme>-0.72<forme><bg>0.0<bg><abc>4.256 4.256 5.818<abc><angles>111.450 111.450 90.000<angles><comp>Eu1 Si3 Ir1<comp><coord>Eu 0.001 0.001 0.002 Si 0.415 0.415 0.830 Si 0.264 0.764 0.528 Si 0.764 0.264 0.528 Ir 0.654 0.654 0.309 <coord> |
<forme>-0.34<forme><bg>0.61<bg><abc>6.667 6.945 12.883<abc><angles>90.000 90.000 90.000<angles><comp>K6 Sn8 Au2<comp><coord>K 0.558 0.000 0.000 K 0.442 0.500 0.500 K 0.828 0.500 0.747 K 0.828 0.500 0.253 K 0.172 0.000 0.753 K 0.172 0.000 0.247 Sn 0.333 0.500 0.878 Sn 0.333 0.500 0.122 Sn 0.040 0.268 0.000 Sn 0.040 0.732 0.000 Sn 0.960 0.768 0.500 Sn 0.960 0.232 0.500 Sn 0.667 0.000 0.378 Sn 0.667 0.000 0.622 Au 0.687 0.500 0.000 Au 0.313 0.000 0.500 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>4.532 7.073 8.437<abc><angles>114.779 105.580 90.000<angles><comp>Yb3 Cu4 Sn4<comp><coord>Yb 0.132 0.632 0.265 Yb 0.868 0.368 0.735 Yb 0.000 0.000 0.000 Cu 0.670 0.983 0.341 Cu 0.330 0.017 0.659 Cu 0.670 0.358 0.341 Cu 0.330 0.642 0.659 Sn 0.782 0.782 0.565 Sn 0.218 0.218 0.435 Sn 0.500 0.699 0.000 Sn 0.500 0.301 0.000 <coord> |
<forme>-0.68<forme><bg>0.0<bg><abc>4.265 4.265 5.828<abc><angles>111.465 111.465 90.000<angles><comp>La1 Si3 Ru1<comp><coord>La 0.000 0.000 0.000 Si 0.416 0.416 0.832 Si 0.261 0.761 0.523 Si 0.761 0.261 0.523 Ru 0.655 0.655 0.310 <coord> |
<forme>-2.16<forme><bg>1.38<bg><abc>3.806 6.547 12.919<abc><angles>90.000 90.000 106.899<angles><comp>Tb4 Mg2 S8<comp><coord>Tb 0.618 0.237 0.216 Tb 0.382 0.763 0.716 Tb 0.862 0.725 0.418 Tb 0.138 0.275 0.918 Mg 0.874 0.748 0.054 Mg 0.126 0.252 0.554 S 0.210 0.420 0.365 S 0.790 0.580 0.865 S 0.511 0.021 0.003 S 0.489 0.979 0.503 S 0.238 0.476 0.105 S 0.762 0.524 0.605 S 0.963 0.926 0.231 S 0.037 0.074 0.731 <coord> |
<forme>0.04<forme><bg>0.0<bg><abc>9.005 9.005 9.005<abc><angles>90.000 90.000 90.000<angles><comp>Rb8<comp><coord>Rb 0.000 0.000 0.000 Rb 0.500 0.250 0.000 Rb 0.500 0.750 0.000 Rb 0.000 0.500 0.250 Rb 0.250 0.000 0.500 Rb 0.750 0.000 0.500 Rb 0.500 0.500 0.500 Rb 0.000 0.500 0.750 <coord> |
<forme>-1.48<forme><bg>0.0<bg><abc>3.621 9.235 9.626<abc><angles>104.620 100.841 90.000<angles><comp>K1 Ti5 Se8<comp><coord>K 0.500 0.500 0.000 Ti 0.000 0.000 0.000 Ti 0.656 0.999 0.311 Ti 0.708 0.348 0.417 Ti 0.292 0.652 0.583 Ti 0.344 0.001 0.689 Se 0.574 0.175 0.148 Se 0.087 0.821 0.173 Se 0.160 0.498 0.321 Se 0.243 0.165 0.487 Se 0.757 0.835 0.513 Se 0.840 0.502 0.679 Se 0.913 0.179 0.827 Se 0.426 0.825 0.852 <coord> |
<forme>-1.15<forme><bg>0.0<bg><abc>2.987 4.194 8.353<abc><angles>90.000 100.299 90.000<angles><comp>Ti4 Zn2 N2<comp><coord>Ti 0.788 0.250 0.577 Ti 0.212 0.750 0.423 Ti 0.613 0.250 0.226 Ti 0.387 0.750 0.774 Zn 0.959 0.250 0.917 Zn 0.041 0.750 0.083 N 0.200 0.250 0.400 N 0.800 0.750 0.600 <coord> |
<forme>-2.01<forme><bg>0.69<bg><abc>4.154 4.154 9.175<abc><angles>90.000 90.000 90.000<angles><comp>Sr2 Zn2 As2 F2<comp><coord>Sr 0.000 0.500 0.846 Sr 0.500 0.000 0.154 Zn 0.500 0.500 0.500 Zn 0.000 0.000 0.500 As 0.000 0.500 0.330 As 0.500 0.000 0.670 F 0.500 0.500 0.000 F 0.000 0.000 0.000 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>4.164 4.164 10.127<abc><angles>90.000 90.000 120.000<angles><comp>Mn1 Hg2 S3<comp><coord>Mn 0.667 0.333 0.337 Hg 0.000 0.000 0.005 Hg 0.333 0.667 0.657 S 0.000 0.000 0.751 S 0.333 0.667 0.400 S 0.667 0.333 0.100 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>3.836 6.147 10.008<abc><angles>90.000 101.049 90.000<angles><comp>Ca5 Mg1<comp><coord>Ca 0.001 0.000 0.002 Ca 0.329 0.000 0.658 Ca 0.670 0.000 0.340 Ca 0.121 0.500 0.242 Ca 0.435 0.500 0.870 Mg 0.778 0.500 0.555 <coord> |
<forme>-1.12<forme><bg>1.4<bg><abc>8.874 8.874 8.874<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Tl1 In1 I6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Tl 0.000 0.000 0.000 In 0.500 0.500 0.500 I 0.265 0.735 0.265 I 0.265 0.265 0.735 I 0.735 0.265 0.735 I 0.265 0.735 0.735 I 0.735 0.265 0.265 I 0.735 0.735 0.265 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>5.209 6.580 6.659<abc><angles>76.599 66.975 66.684<angles><comp>Sr2 Cd2 Pb2<comp><coord>Sr 0.456 0.293 0.795 Sr 0.544 0.707 0.205 Cd 0.846 0.707 0.601 Cd 0.154 0.293 0.399 Pb 0.168 0.892 0.773 Pb 0.832 0.108 0.227 <coord> |
<forme>-1.47<forme><bg>3.12<bg><abc>4.057 5.846 7.202<abc><angles>68.131 73.643 69.697<angles><comp>H2 Pb2 Cl2 O2<comp><coord>H 0.114 0.371 0.402 H 0.886 0.629 0.598 Pb 0.175 0.891 0.759 Pb 0.825 0.109 0.241 Cl 0.434 0.321 0.812 Cl 0.566 0.679 0.188 O 0.198 0.188 0.415 O 0.802 0.812 0.585 <coord> |
<forme>-0.02<forme><bg>0.0<bg><abc>4.751 5.380 4.751<abc><angles>116.201 90.000 116.201<angles><comp>Na3 Pd1<comp><coord>Na 0.250 0.500 0.750 Na 0.750 0.500 0.250 Na 0.500 0.000 0.500 Pd 0.000 0.000 0.000 <coord> |
<forme>-0.33<forme><bg>0.07<bg><abc>4.305 8.329 9.890<abc><angles>94.937 90.000 104.978<angles><comp>Sb4 Te6<comp><coord>Sb 0.026 0.052 0.791 Sb 0.974 0.948 0.209 Sb 0.764 0.528 0.806 Sb 0.236 0.472 0.194 Te 0.168 0.336 0.632 Te 0.832 0.664 0.368 Te 0.567 0.133 0.357 Te 0.433 0.867 0.643 Te 0.358 0.716 0.997 Te 0.642 0.284 0.003 <coord> |
<forme>-2.0<forme><bg>0.03<bg><abc>2.882 5.454 10.076<abc><angles>100.440 98.223 90.000<angles><comp>Li4 Mn3 Co1 O8<comp><coord>Li 0.623 0.890 0.246 Li 0.874 0.644 0.748 Li 0.126 0.356 0.252 Li 0.377 0.110 0.754 Mn 0.248 0.749 0.496 Mn 0.500 0.500 0.000 Mn 0.752 0.251 0.504 Co 0.000 0.000 0.000 O 0.559 0.173 0.119 O 0.807 0.912 0.614 O 0.053 0.690 0.107 O 0.310 0.415 0.620 O 0.690 0.585 0.380 O 0.947 0.310 0.893 O 0.193 0.088 0.386 O 0.441 0.827 0.881 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>4.073 8.328 8.328<abc><angles>120.000 90.000 90.000<angles><comp>Er6 Co1 Bi2<comp><coord>Er 0.500 0.770 0.770 Er 0.500 0.000 0.230 Er 0.500 0.230 0.000 Er 0.000 0.391 0.391 Er 1.000 0.000 0.609 Er 1.000 0.609 0.000 Co 0.000 0.000 0.000 Bi 0.500 0.667 0.333 Bi 0.500 0.333 0.667 <coord> |
<forme>-1.19<forme><bg>0.0<bg><abc>5.147 5.148 5.925<abc><angles>64.253 64.276 60.006<angles><comp>Mn2 Ag2 O6<comp><coord>Mn 0.662 0.662 0.014 Mn 0.338 0.338 0.986 Ag 0.862 0.862 0.415 Ag 0.138 0.138 0.585 O 0.940 0.305 0.209 O 0.454 0.060 0.791 O 0.695 0.454 0.791 O 0.305 0.546 0.209 O 0.546 0.940 0.209 O 0.060 0.695 0.791 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>5.156 5.156 5.156<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Gd2 Ga1<comp><coord>Li 0.000 0.000 0.000 Gd 0.750 0.750 0.750 Gd 0.250 0.250 0.250 Ga 0.500 0.500 0.500 <coord> |
<forme>-2.1<forme><bg>2.4<bg><abc>3.931 3.931 7.050<abc><angles>73.810 73.810 60.000<angles><comp>Na1 Tm1 S2<comp><coord>Na 0.500 0.500 0.500 Tm 0.000 0.000 0.000 S 0.259 0.259 0.224 S 0.741 0.741 0.776 <coord> |
<forme>-0.99<forme><bg>1.54<bg><abc>3.958 3.958 6.856<abc><angles>73.221 73.221 60.000<angles><comp>Zn2 Se1 S1<comp><coord>Zn 0.004 0.004 0.989 Zn 0.496 0.496 0.511 Se 0.625 0.625 0.126 S 0.125 0.125 0.624 <coord> |
<forme>-0.09<forme><bg>0.0<bg><abc>3.825 5.615 5.805<abc><angles>90.000 90.000 90.000<angles><comp>La2 Mg2<comp><coord>La 0.000 0.750 0.199 La 0.000 0.250 0.801 Mg 0.500 0.250 0.314 Mg 0.500 0.750 0.686 <coord> |
<forme>-0.99<forme><bg>0.0<bg><abc>7.062 7.062 7.062<abc><angles>60.000 60.000 60.000<angles><comp>Cr4 Ga1 Cu1 S8<comp><coord>Cr 0.879 0.879 0.364 Cr 0.879 0.879 0.879 Cr 0.879 0.364 0.879 Cr 0.364 0.879 0.879 Ga 0.500 0.500 0.500 Cu 0.250 0.250 0.250 S 0.116 0.116 0.651 S 0.116 0.116 0.116 S 0.116 0.651 0.116 S 0.651 0.116 0.116 S 0.634 0.634 0.097 S 0.634 0.634 0.634 S 0.634 0.097 0.634 S 0.097 0.634 0.634 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>3.565 4.968 4.968<abc><angles>120.000 90.000 90.000<angles><comp>Yb1 Hg2<comp><coord>Yb 0.000 0.000 0.000 Hg 0.485 0.333 0.667 Hg 0.515 0.667 0.333 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>4.943 4.943 4.943<abc><angles>90.000 90.000 90.000<angles><comp>Gd3 Al1 C1<comp><coord>Gd 0.500 0.500 0.000 Gd 0.500 0.000 0.500 Gd 0.000 0.500 0.500 Al 0.000 0.000 0.000 C 0.500 0.500 0.500 <coord> |
<forme>-2.43<forme><bg>4.71<bg><abc>7.878 7.878 7.878<abc><angles>60.000 60.000 60.000<angles><comp>K3 Tm1 Cl6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 K 0.500 0.500 0.500 Tm 0.000 0.000 0.000 Cl 0.233 0.767 0.233 Cl 0.233 0.233 0.767 Cl 0.767 0.233 0.767 Cl 0.233 0.767 0.767 Cl 0.767 0.233 0.233 Cl 0.767 0.767 0.233 <coord> |
<forme>-1.59<forme><bg>2.12<bg><abc>8.015 8.015 8.015<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Al1 In1 Br6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Al 0.000 0.000 0.000 In 0.500 0.500 0.500 Br 0.224 0.776 0.224 Br 0.224 0.224 0.776 Br 0.776 0.224 0.776 Br 0.224 0.776 0.776 Br 0.776 0.224 0.224 Br 0.776 0.776 0.224 <coord> |
<forme>-0.39<forme><bg>0.0<bg><abc>3.933 4.701 4.701<abc><angles>71.037 78.911 78.911<angles><comp>Sm1 Hg2<comp><coord>Sm 0.000 0.000 0.000 Hg 0.353 0.337 0.337 Hg 0.647 0.663 0.663 <coord> |
<forme>-0.05<forme><bg>1.02<bg><abc>5.705 5.705 6.694<abc><angles>115.223 115.223 90.000<angles><comp>Si2 Hg2 P4<comp><coord>Si 0.500 0.500 0.000 Si 0.250 0.750 0.500 Hg 0.000 0.000 0.000 Hg 0.750 0.250 0.500 P 0.875 0.830 0.250 P 0.375 0.420 0.250 P 0.170 0.625 0.750 P 0.580 0.125 0.750 <coord> |
<forme>-0.8<forme><bg>0.58<bg><abc>8.670 9.897 8.670<abc><angles>115.977 90.000 115.977<angles><comp>K4 Sn2 Te10<comp><coord>K 0.000 0.000 0.000 K 0.500 0.000 0.500 K 0.750 0.500 0.750 K 0.250 0.500 0.250 Sn 0.750 0.500 0.250 Sn 0.250 0.500 0.750 Te 0.957 0.271 0.457 Te 0.457 0.271 0.315 Te 0.500 0.000 0.000 Te 0.000 0.000 0.500 Te 0.315 0.271 0.815 Te 0.815 0.271 0.957 Te 0.185 0.729 0.043 Te 0.685 0.729 0.185 Te 0.043 0.729 0.543 Te 0.543 0.729 0.685 <coord> |
<forme>0.02<forme><bg>0.0<bg><abc>5.059 5.059 5.059<abc><angles>90.000 90.000 90.000<angles><comp>Pr1 Ho3<comp><coord>Pr 0.000 0.000 0.000 Ho 0.000 0.500 0.500 Ho 0.500 0.000 0.500 Ho 0.500 0.500 0.000 <coord> |
<forme>-0.12<forme><bg>0.0<bg><abc>4.670 4.670 12.127<abc><angles>90.000 90.000 90.000<angles><comp>U2 In8 Rh1<comp><coord>U 0.500 0.500 0.691 U 0.500 0.500 0.309 In 0.000 0.500 0.500 In 0.500 0.000 0.500 In 0.000 0.500 0.876 In 0.500 0.000 0.876 In 0.000 0.500 0.124 In 0.500 0.000 0.124 In 0.000 0.000 0.691 In 0.000 0.000 0.309 Rh 0.500 0.500 0.000 <coord> |
<forme>-0.14<forme><bg>0.0<bg><abc>3.901 3.901 12.940<abc><angles>90.000 90.000 90.000<angles><comp>La3 Dy1 C8<comp><coord>La 0.500 0.500 0.750 La 0.000 0.000 0.500 La 0.500 0.500 0.250 Dy 0.000 0.000 0.000 C 0.000 0.000 0.806 C 0.500 0.500 0.550 C 0.000 0.000 0.294 C 0.500 0.500 0.050 C 0.500 0.500 0.950 C 0.000 0.000 0.706 C 0.500 0.500 0.450 C 0.000 0.000 0.194 <coord> |
<forme>-1.79<forme><bg>2.91<bg><abc>6.032 8.079 8.079<abc><angles>99.963 90.000 90.000<angles><comp>Pb6 S2 O12<comp><coord>Pb 0.750 0.101 0.899 Pb 0.750 0.178 0.357 Pb 0.750 0.643 0.822 Pb 0.250 0.899 0.101 Pb 0.250 0.357 0.178 Pb 0.250 0.822 0.643 S 0.750 0.651 0.349 S 0.250 0.349 0.651 O 0.750 0.462 0.300 O 0.000 0.143 0.143 O 0.953 0.718 0.282 O 0.547 0.718 0.282 O 0.250 0.300 0.462 O 0.500 0.857 0.857 O 0.453 0.282 0.718 O 0.750 0.700 0.538 O 0.250 0.538 0.700 O 0.047 0.282 0.718 O 1.000 0.857 0.857 O 0.500 0.143 0.143 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>6.717 9.824 9.824<abc><angles>120.000 90.000 90.000<angles><comp>La10 Cu2 Bi6<comp><coord>La 1.000 0.333 0.667 La 0.000 0.667 0.333 La 0.500 0.667 0.333 La 0.500 0.333 0.667 La 0.250 0.259 0.000 La 0.250 0.741 0.741 La 0.250 0.000 0.259 La 0.750 0.741 0.000 La 0.750 0.259 0.259 La 0.750 1.000 0.741 Cu 0.000 0.000 0.000 Cu 0.500 0.000 0.000 Bi 0.250 0.615 0.000 Bi 0.250 0.385 0.385 Bi 0.250 0.000 0.615 Bi 0.750 0.385 0.000 Bi 0.750 0.615 0.615 Bi 0.750 1.000 0.385 <coord> |
<forme>-0.72<forme><bg>0.0<bg><abc>4.181 4.181 5.663<abc><angles>111.661 111.661 90.000<angles><comp>Dy1 Si2 Os2<comp><coord>Dy 0.000 0.000 0.000 Si 0.628 0.628 0.256 Si 0.372 0.372 0.744 Os 0.750 0.250 0.500 Os 0.250 0.750 0.500 <coord> |
<forme>-1.8<forme><bg>5.17<bg><abc>5.369 5.369 7.524<abc><angles>110.902 110.902 90.000<angles><comp>Ga2 H8 N2 F8<comp><coord>Ga 0.500 0.500 0.000 Ga 0.000 0.000 0.000 H 0.813 0.313 0.407 H 0.187 0.687 0.593 H 0.406 0.906 0.593 H 0.687 0.406 0.593 H 0.906 0.187 0.593 H 0.094 0.813 0.407 H 0.313 0.594 0.407 H 0.594 0.094 0.407 N 0.750 0.250 0.500 N 0.250 0.750 0.500 F 0.190 0.310 1.000 F 0.856 0.856 0.713 F 0.356 0.356 0.713 F 0.144 0.144 0.287 F 0.310 0.810 0.000 F 0.690 0.190 0.000 F 0.810 0.690 0.000 F 0.644 0.644 0.287 <coord> |
<forme>-2.89<forme><bg>4.47<bg><abc>3.692 5.118 11.362<abc><angles>90.000 90.000 90.000<angles><comp>Sm4 H4 O8<comp><coord>Sm 0.250 0.086 0.854 Sm 0.250 0.414 0.354 Sm 0.750 0.586 0.646 Sm 0.750 0.914 0.146 H 0.250 0.127 0.591 H 0.250 0.373 0.091 H 0.750 0.627 0.909 H 0.750 0.873 0.409 O 0.250 0.189 0.064 O 0.750 0.174 0.308 O 0.750 0.326 0.808 O 0.250 0.311 0.564 O 0.750 0.689 0.436 O 0.250 0.674 0.192 O 0.250 0.826 0.692 O 0.750 0.811 0.936 <coord> |
<forme>-2.59<forme><bg>0.95<bg><abc>5.595 5.601 8.662<abc><angles>108.366 108.265 91.259<angles><comp>Ba2 Y2 Mn2 Co2 O10<comp><coord>Ba 0.008 0.005 0.011 Ba 0.504 0.509 0.010 Y 0.250 0.248 0.498 Y 0.749 0.750 0.499 Mn 0.363 0.863 0.726 Mn 0.873 0.373 0.747 Co 0.131 0.631 0.263 Co 0.633 0.133 0.256 O 0.497 0.998 0.997 O 0.002 0.502 0.010 O 0.415 0.398 0.315 O 0.899 0.914 0.314 O 0.924 0.423 0.317 O 0.391 0.890 0.314 O 0.582 0.603 0.685 O 0.102 0.081 0.684 O 0.096 0.596 0.679 O 0.581 0.081 0.676 <coord> |
<forme>-0.84<forme><bg>0.0<bg><abc>4.610 4.610 4.610<abc><angles>60.000 60.000 60.000<angles><comp>Mg1 Sc1 Pd2<comp><coord>Mg 0.500 0.500 0.500 Sc 0.000 0.000 0.000 Pd 0.750 0.750 0.750 Pd 0.250 0.250 0.250 <coord> |
<forme>-1.5<forme><bg>0.0<bg><abc>3.991 3.991 3.991<abc><angles>90.000 90.000 90.000<angles><comp>Tl1 Tc1 O3<comp><coord>Tl 0.000 0.000 0.000 Tc 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>-3.11<forme><bg>5.32<bg><abc>5.336 5.336 8.715<abc><angles>90.000 90.000 120.000<angles><comp>Al2 P2 O8<comp><coord>Al 0.333 0.667 0.438 Al 0.667 0.333 0.938 P 0.667 0.333 0.563 P 0.333 0.667 0.063 O 0.489 0.511 0.005 O 0.511 0.021 0.505 O 0.511 0.489 0.505 O 0.333 0.667 0.238 O 0.667 0.333 0.738 O 0.021 0.511 0.005 O 0.489 0.979 0.005 O 0.979 0.489 0.505 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>3.425 4.960 4.960<abc><angles>120.000 90.000 90.000<angles><comp>Er1 Cd2<comp><coord>Er 0.000 0.000 0.000 Cd 0.500 0.667 0.333 Cd 0.500 0.333 0.667 <coord> |
<forme>-1.07<forme><bg>0.0<bg><abc>7.911 10.135 10.135<abc><angles>120.000 90.000 90.000<angles><comp>Ba10 Sb6<comp><coord>Ba 0.250 1.000 0.256 Ba 0.750 0.000 0.744 Ba 0.750 0.744 1.000 Ba 0.250 0.744 0.744 Ba 0.250 0.256 0.000 Ba 0.750 0.256 0.256 Ba 0.500 0.667 0.333 Ba 1.000 0.333 0.667 Ba 0.500 0.333 0.667 Ba 0.000 0.667 0.333 Sb 0.250 0.391 0.391 Sb 0.750 0.391 0.000 Sb 0.750 0.000 0.391 Sb 0.250 0.000 0.609 Sb 0.250 0.609 0.000 Sb 0.750 0.609 0.609 <coord> |
<forme>-2.6<forme><bg>1.67<bg><abc>6.384 6.384 6.384<abc><angles>60.000 60.000 60.000<angles><comp>K2 In1 Ag1 F6<comp><coord>K 0.750 0.750 0.750 K 0.250 0.250 0.250 In 0.000 0.000 0.000 Ag 0.500 0.500 0.500 F 0.233 0.233 0.767 F 0.767 0.233 0.767 F 0.767 0.767 0.233 F 0.233 0.767 0.767 F 0.767 0.233 0.233 F 0.233 0.767 0.233 <coord> |
<forme>-1.03<forme><bg>0.0<bg><abc>5.086 5.770 5.770<abc><angles>120.000 90.000 90.000<angles><comp>Pa2 Pt6<comp><coord>Pa 0.750 0.333 0.667 Pa 0.250 0.667 0.333 Pt 0.250 0.165 0.331 Pt 0.250 0.669 0.835 Pt 0.250 0.165 0.835 Pt 0.750 0.835 0.669 Pt 0.750 0.331 0.165 Pt 0.750 0.835 0.165 <coord> |
<forme>-4.08<forme><bg>2.43<bg><abc>3.870 3.870 5.595<abc><angles>90.000 90.000 90.000<angles><comp>Pr1 Pa1 O4<comp><coord>Pr 0.000 0.000 0.000 Pa 0.500 0.500 0.500 O 0.500 0.000 0.729 O 0.000 0.500 0.271 O 0.500 0.000 0.271 O 0.000 0.500 0.729 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>2.897 2.897 5.803<abc><angles>90.000 90.000 90.000<angles><comp>Ga2 Co1 Ni1<comp><coord>Ga 0.000 0.000 0.752 Ga 0.000 0.000 0.248 Co 0.500 0.500 0.000 Ni 0.500 0.500 0.500 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.600 4.600 4.621<abc><angles>105.560 105.560 117.456<angles><comp>B2 Mo2 W2<comp><coord>B 0.750 0.250 0.500 B 0.250 0.750 0.500 Mo 0.331 0.669 0.000 Mo 0.669 0.331 0.000 W 0.169 0.169 0.337 W 0.831 0.831 0.663 <coord> |
<forme>-2.59<forme><bg>0.0<bg><abc>3.611 3.611 6.864<abc><angles>74.749 74.749 60.000<angles><comp>Rb1 Eu1 O2<comp><coord>Rb 0.000 0.000 0.000 Eu 0.500 0.500 0.500 O 0.773 0.773 0.680 O 0.227 0.227 0.320 <coord> |
<forme>-1.11<forme><bg>0.0<bg><abc>3.325 3.325 8.936<abc><angles>90.000 90.000 120.000<angles><comp>Ta1 In1 S2<comp><coord>Ta 0.333 0.667 0.500 In 0.000 0.000 0.000 S 0.000 0.000 0.324 S 0.000 0.000 0.676 <coord> |
<forme>-3.09<forme><bg>1.34<bg><abc>5.621 5.621 8.952<abc><angles>108.296 108.296 90.000<angles><comp>Na1 Nd1 Nb4 O12<comp><coord>Na 0.000 0.000 0.000 Nd 0.500 0.500 0.000 Nb 0.629 0.129 0.258 Nb 0.129 0.629 0.258 Nb 0.871 0.371 0.742 Nb 0.371 0.871 0.742 O 0.856 0.372 0.228 O 0.372 0.856 0.228 O 0.144 0.628 0.772 O 0.628 0.144 0.772 O 0.372 0.372 0.228 O 0.856 0.856 0.228 O 0.628 0.628 0.772 O 0.144 0.144 0.772 O 0.750 0.250 0.500 O 0.250 0.750 0.500 O 0.500 0.000 0.000 O 0.000 0.500 0.000 <coord> |
<forme>-0.76<forme><bg>1.56<bg><abc>4.254 4.254 4.254<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Mg1 P1<comp><coord>Li 0.750 0.750 0.750 Mg 0.250 0.250 0.250 P 0.000 0.000 0.000 <coord> |
<forme>-0.03<forme><bg>0.0<bg><abc>6.237 7.456 8.685<abc><angles>115.419 111.042 90.000<angles><comp>Mg10 Tl4<comp><coord>Mg 0.085 0.925 0.169 Mg 0.516 0.266 0.532 Mg 0.750 0.500 0.000 Mg 0.415 0.756 0.831 Mg 0.915 0.075 0.831 Mg 0.484 0.734 0.468 Mg 0.984 0.734 0.468 Mg 0.016 0.266 0.532 Mg 0.585 0.244 0.169 Mg 0.250 0.500 0.000 Tl 0.877 0.643 0.754 Tl 0.623 0.889 0.246 Tl 0.377 0.111 0.754 Tl 0.123 0.357 0.246 <coord> |
<forme>-0.41<forme><bg>1.66<bg><abc>6.327 6.437 8.048<abc><angles>90.000 90.000 90.000<angles><comp>Zn8 I4 N4<comp><coord>Zn 0.250 0.651 0.696 Zn 0.250 0.151 0.804 Zn 0.750 0.349 0.304 Zn 0.750 0.849 0.196 Zn 0.000 0.000 0.500 Zn 0.500 0.500 0.000 Zn 0.500 0.000 0.500 Zn 0.000 0.500 0.000 I 0.250 0.420 0.381 I 0.250 0.920 0.119 I 0.750 0.580 0.619 I 0.750 0.080 0.881 N 0.250 0.442 0.873 N 0.250 0.942 0.627 N 0.750 0.558 0.127 N 0.750 0.058 0.373 <coord> |
<forme>-0.88<forme><bg>1.09<bg><abc>7.543 7.543 7.871<abc><angles>61.367 61.367 60.000<angles><comp>K2 Pt4 Se6<comp><coord>K 0.200 0.200 0.399 K 0.800 0.800 0.601 Pt 0.000 0.000 0.000 Pt 0.500 1.000 0.000 Pt 0.000 0.500 0.000 Pt 0.500 0.500 0.000 Se 0.767 0.767 0.188 Se 0.233 0.721 0.812 Se 0.767 0.279 0.188 Se 0.279 0.767 0.188 Se 0.233 0.233 0.812 Se 0.721 0.233 0.812 <coord> |
<forme>-0.08<forme><bg>0.0<bg><abc>5.479 5.479 5.479<abc><angles>60.000 60.000 60.000<angles><comp>La1 Dy1 Mg2<comp><coord>La 0.000 0.000 0.000 Dy 0.500 0.500 0.500 Mg 0.750 0.750 0.750 Mg 0.250 0.250 0.250 <coord> |
<forme>-2.45<forme><bg>1.93<bg><abc>6.108 6.108 6.134<abc><angles>90.214 119.618 119.998<angles><comp>Ba2 Bi1 Sb1 O6<comp><coord>Ba 0.504 0.751 0.255 Ba 0.496 0.249 0.745 Bi 0.000 0.000 0.000 Sb 0.000 0.500 0.500 O 0.465 0.704 0.701 O 0.004 0.764 0.299 O 0.535 0.296 0.299 O 0.996 0.236 0.701 O 0.945 0.269 0.214 O 0.055 0.731 0.786 <coord> |
<forme>-0.11<forme><bg>0.0<bg><abc>4.070 4.070 5.039<abc><angles>90.000 90.000 120.000<angles><comp>Fe2 Co2 Ge2<comp><coord>Fe 0.000 0.000 0.000 Fe 0.000 0.000 0.500 Co 0.667 0.333 0.250 Co 0.333 0.667 0.750 Ge 0.667 0.333 0.750 Ge 0.333 0.667 0.250 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>8.394 9.656 8.394<abc><angles>115.763 90.000 115.763<angles><comp>Eu10 Sn6 H2<comp><coord>Eu 0.500 0.000 0.500 Eu 0.000 0.000 0.000 Eu 0.486 0.302 0.316 Eu 0.816 0.302 0.986 Eu 0.986 0.302 0.486 Eu 0.316 0.302 0.816 Eu 0.514 0.698 0.684 Eu 0.184 0.698 0.014 Eu 0.014 0.698 0.514 Eu 0.684 0.698 0.184 Sn 0.750 0.500 0.750 Sn 0.250 0.500 0.250 Sn 0.124 0.000 0.376 Sn 0.876 0.000 0.624 Sn 0.624 1.000 0.124 Sn 0.376 0.000 0.876 H 0.750 0.500 0.250 H 0.250 0.500 0.750 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>5.135 5.135 5.135<abc><angles>60.000 60.000 60.000<angles><comp>Ce1 Pb1 Au2<comp><coord>Ce 0.500 0.500 0.500 Pb 0.000 0.000 0.000 Au 0.750 0.750 0.750 Au 0.250 0.250 0.250 <coord> |
<forme>-1.83<forme><bg>2.55<bg><abc>8.316 8.316 8.316<abc><angles>60.000 60.000 60.000<angles><comp>Cs3 Tl1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Cs 0.500 0.500 0.500 Tl 0.000 0.000 0.000 Cl 0.223 0.777 0.223 Cl 0.223 0.223 0.777 Cl 0.777 0.223 0.777 Cl 0.223 0.777 0.777 Cl 0.777 0.223 0.223 Cl 0.777 0.777 0.223 <coord> |
<forme>-3.34<forme><bg>0.0<bg><abc>5.796 5.796 5.796<abc><angles>60.000 60.000 60.000<angles><comp>K2 Li1 Ti1 F6<comp><coord>K 0.750 0.750 0.750 K 0.250 0.250 0.250 Li 0.500 0.500 0.500 Ti 0.000 0.000 0.000 F 0.243 0.243 0.757 F 0.757 0.243 0.757 F 0.757 0.757 0.243 F 0.243 0.757 0.757 F 0.757 0.243 0.243 F 0.243 0.757 0.243 <coord> |
<forme>-1.24<forme><bg>0.0<bg><abc>3.859 6.645 7.483<abc><angles>90.000 90.000 90.000<angles><comp>Sc4 P4 Pt4<comp><coord>Sc 0.250 0.032 0.181 Sc 0.250 0.532 0.319 Sc 0.750 0.468 0.681 Sc 0.750 0.968 0.819 P 0.750 0.755 0.125 P 0.750 0.255 0.375 P 0.250 0.745 0.625 P 0.250 0.245 0.875 Pt 0.750 0.348 0.062 Pt 0.750 0.848 0.438 Pt 0.250 0.152 0.562 Pt 0.250 0.652 0.938 <coord> |
<forme>-0.03<forme><bg>5.78<bg><abc>4.611 9.057 9.231<abc><angles>112.711 90.000 90.000<angles><comp>Ge4 H16<comp><coord>Ge 0.071 0.238 0.150 Ge 0.071 0.762 0.350 Ge 0.929 0.762 0.850 Ge 0.929 0.238 0.650 H 0.385 0.189 0.098 H 0.385 0.811 0.402 H 0.615 0.811 0.902 H 0.615 0.189 0.598 H 0.917 0.284 0.026 H 0.917 0.716 0.474 H 0.083 0.716 0.974 H 0.083 0.284 0.526 H 0.081 0.382 0.307 H 0.081 0.618 0.193 H 0.919 0.618 0.693 H 0.919 0.382 0.807 H 0.914 0.099 0.172 H 0.914 0.901 0.328 H 0.086 0.901 0.828 H 0.086 0.099 0.672 <coord> |
<forme>-0.79<forme><bg>0.6<bg><abc>5.836 5.836 5.836<abc><angles>90.000 90.000 90.000<angles><comp>Ru4 Se4 S4<comp><coord>Ru 0.508 0.492 0.992 Ru 0.492 0.992 0.508 Ru 0.992 0.508 0.492 Ru 0.008 0.008 0.008 Se 0.881 0.119 0.619 Se 0.119 0.619 0.881 Se 0.619 0.881 0.119 Se 0.381 0.381 0.381 S 0.116 0.884 0.384 S 0.884 0.384 0.116 S 0.384 0.116 0.884 S 0.616 0.616 0.616 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>4.230 4.230 7.688<abc><angles>105.969 105.969 90.000<angles><comp>Pr2 Si4<comp><coord>Pr 0.750 0.250 0.500 Pr 0.000 0.000 0.000 Si 0.166 0.666 0.332 Si 0.584 0.584 0.168 Si 0.334 0.834 0.668 Si 0.416 0.416 0.832 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.