text stringlengths 140 560 |
|---|
<forme>-3.17<forme><bg>2.43<bg><abc>4.125 5.640 11.602<abc><angles>90.000 90.000 90.000<angles><comp>Y4 Se4 F4<comp><coord>Y 0.750 0.986 0.354 Y 0.750 0.514 0.854 Y 0.250 0.486 0.146 Y 0.250 0.014 0.646 Se 0.750 0.486 0.330 Se 0.750 0.014 0.830 Se 0.250 0.986 0.170 Se 0.250 0.514 0.670 F 0.750 0.479 0.057 F 0.750 0.021 0.557 F 0.250 0.521 0.943 F 0.250 0.979 0.443 <coord> |
<forme>-0.4<forme><bg>0.0<bg><abc>4.284 8.316 8.316<abc><angles>120.000 90.000 90.000<angles><comp>Dy6 Mn1 Bi2<comp><coord>Dy 0.500 0.767 0.000 Dy 0.500 0.233 0.233 Dy 0.500 0.000 0.767 Dy 0.000 0.394 0.000 Dy 0.000 0.606 0.606 Dy 0.000 1.000 0.394 Mn 0.000 0.000 0.000 Bi 0.500 0.333 0.667 Bi 0.500 0.667 0.333 <coord> |
<forme>-2.12<forme><bg>1.6<bg><abc>4.839 4.839 5.905<abc><angles>97.850 97.850 119.946<angles><comp>Li1 Cu3 Si2 O6<comp><coord>Li 0.500 0.500 0.000 Cu 0.331 0.669 0.500 Cu 0.000 0.000 0.500 Cu 0.669 0.331 0.500 Si 0.833 0.167 1.000 Si 0.167 0.833 1.000 O 0.445 0.814 0.831 O 0.928 0.928 0.170 O 0.072 0.072 0.830 O 0.186 0.555 0.169 O 0.555 0.186 0.169 O 0.814 0.445 0.831 <coord> |
<forme>-2.67<forme><bg>5.1<bg><abc>4.576 6.208 13.157<abc><angles>90.000 90.000 90.000<angles><comp>Rb4 P4 O12<comp><coord>Rb 0.228 0.750 0.592 Rb 0.728 0.750 0.908 Rb 0.772 0.250 0.408 Rb 0.272 0.250 0.092 P 0.681 0.250 0.676 P 0.181 0.250 0.824 P 0.319 0.750 0.324 P 0.819 0.750 0.176 O 0.341 0.250 0.713 O 0.841 0.250 0.787 O 0.659 0.750 0.287 O 0.159 0.750 0.213 O 0.265 0.541 0.379 O 0.765 0.959 0.121 O 0.735 0.041 0.621 O 0.235 0.459 0.879 O 0.765 0.541 0.121 O 0.265 0.959 0.379 O 0.235 0.041 0.879 O 0.735 0.459 0.621 <coord> |
<forme>-1.41<forme><bg>1.24<bg><abc>5.584 5.988 7.254<abc><angles>98.019 90.000 117.791<angles><comp>V2 Ag2 Hg2 O8<comp><coord>V 0.310 0.626 0.770 V 0.683 0.374 0.230 Ag 0.372 0.724 0.279 Ag 0.648 0.276 0.721 Hg 0.991 0.000 0.000 Hg 0.027 0.000 0.500 O 0.513 0.733 0.975 O 0.780 0.267 0.025 O 0.736 0.237 0.408 O 0.499 0.763 0.592 O 0.193 0.278 0.732 O 0.914 0.722 0.268 O 0.335 0.286 0.212 O 0.049 0.714 0.788 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>4.297 4.297 5.950<abc><angles>111.164 111.164 90.000<angles><comp>Gd1 Si2 Au2<comp><coord>Gd 0.000 0.000 0.000 Si 0.613 0.613 0.226 Si 0.387 0.387 0.774 Au 0.750 0.250 0.500 Au 0.250 0.750 0.500 <coord> |
<forme>-2.54<forme><bg>0.0<bg><abc>6.585 6.585 6.599<abc><angles>108.488 109.836 110.012<angles><comp>La1 Mn3 V4 O12<comp><coord>La 0.000 0.000 0.000 Mn 0.500 0.500 0.000 Mn 0.500 0.000 0.500 Mn 0.000 0.500 0.500 V 0.500 0.500 0.500 V 0.000 0.000 0.500 V 0.000 0.500 0.000 V 0.500 0.000 0.000 O 0.510 0.694 0.826 O 0.868 0.684 0.174 O 0.132 0.316 0.826 O 0.490 0.306 0.174 O 0.709 0.179 0.888 O 0.707 0.814 0.522 O 0.293 0.186 0.478 O 0.291 0.821 0.112 O 0.801 0.108 0.286 O 0.178 0.484 0.286 O 0.822 0.516 0.714 O 0.199 0.892 0.714 <coord> |
<forme>-0.06<forme><bg>0.0<bg><abc>5.177 5.363 5.442<abc><angles>60.481 90.000 90.000<angles><comp>Mg2 Cd4<comp><coord>Mg 0.250 0.325 0.000 Mg 0.750 0.675 0.000 Cd 0.250 0.665 0.333 Cd 0.250 0.998 0.667 Cd 0.750 0.002 0.333 Cd 0.750 0.335 0.667 <coord> |
<forme>-0.84<forme><bg>0.0<bg><abc>3.946 7.993 7.993<abc><angles>90.000 90.000 90.000<angles><comp>La4 In2 Pd4<comp><coord>La 0.500 0.176 0.676 La 0.500 0.824 0.324 La 0.500 0.324 0.176 La 0.500 0.676 0.824 In 0.000 0.500 0.500 In 0.000 0.000 0.000 Pd 0.000 0.630 0.130 Pd 0.000 0.370 0.870 Pd 0.000 0.870 0.630 Pd 0.000 0.130 0.370 <coord> |
<forme>-1.46<forme><bg>3.4<bg><abc>5.186 5.777 6.688<abc><angles>89.229 73.633 82.809<angles><comp>Na2 H2 Se2 O8<comp><coord>Na 0.030 0.747 0.841 Na 0.968 0.248 0.152 H 0.469 0.962 0.486 H 0.969 0.487 0.520 Se 0.373 0.703 0.253 Se 0.637 0.274 0.725 O 0.701 0.629 0.149 O 0.322 0.381 0.838 O 0.231 0.877 0.106 O 0.786 0.124 0.882 O 0.217 0.469 0.332 O 0.804 0.523 0.651 O 0.323 0.854 0.492 O 0.682 0.127 0.501 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>4.341 4.341 18.101<abc><angles>90.000 90.000 120.000<angles><comp>La4 Os4 I2<comp><coord>La 0.000 0.000 0.892 La 0.000 0.000 0.108 La 0.000 0.000 0.392 La 0.000 0.000 0.608 Os 0.667 0.333 0.494 Os 0.333 0.667 0.506 Os 0.333 0.667 0.994 Os 0.667 0.333 0.006 I 0.667 0.333 0.750 I 0.333 0.667 0.250 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>4.631 4.631 4.631<abc><angles>60.000 60.000 60.000<angles><comp>Sc2 Zn1 Ru1<comp><coord>Sc 0.750 0.750 0.750 Sc 0.250 0.250 0.250 Zn 0.000 0.000 0.000 Ru 0.500 0.500 0.500 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>4.919 4.919 4.919<abc><angles>60.000 60.000 60.000<angles><comp>Sc2 Cd1 Au1<comp><coord>Sc 0.750 0.750 0.750 Sc 0.250 0.250 0.250 Cd 0.000 0.000 0.000 Au 0.500 0.500 0.500 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>4.582 7.235 7.357<abc><angles>90.000 90.000 90.000<angles><comp>Dy4 Co4 Sn4<comp><coord>Dy 0.750 0.699 0.526 Dy 0.250 0.301 0.474 Dy 0.750 0.801 0.026 Dy 0.250 0.199 0.974 Co 0.250 0.942 0.648 Co 0.750 0.442 0.852 Co 0.250 0.558 0.148 Co 0.750 0.058 0.352 Sn 0.750 0.389 0.203 Sn 0.250 0.889 0.297 Sn 0.750 0.111 0.703 Sn 0.250 0.611 0.797 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>5.065 5.065 9.778<abc><angles>90.000 90.000 120.000<angles><comp>Gd3 Co11 B4<comp><coord>Gd 0.000 0.000 0.342 Gd 0.000 0.000 0.658 Gd 0.000 0.000 0.000 Co 0.000 0.500 0.203 Co 0.500 0.000 0.203 Co 0.500 0.500 0.797 Co 0.333 0.667 0.000 Co 0.000 0.500 0.797 Co 0.500 0.500 0.203 Co 0.500 0.000 0.797 Co 0.500 0.000 0.500 Co 0.667 0.333 0.000 Co 0.500 0.500 0.500 Co 0.000 0.500 0.500 B 0.333 0.667 0.348 B 0.667 0.333 0.652 B 0.667 0.333 0.348 B 0.333 0.667 0.652 <coord> |
<forme>-0.41<forme><bg>5.65<bg><abc>4.073 4.080 5.067<abc><angles>89.784 90.120 89.996<angles><comp>Li2 B2 H8<comp><coord>Li 0.008 0.011 0.999 Li 0.505 0.492 0.498 B 0.499 0.496 0.997 B 0.004 0.003 0.500 H 0.999 0.759 0.360 H 0.761 0.000 0.639 H 0.001 0.253 0.367 H 0.500 0.245 0.127 H 0.746 0.503 0.861 H 0.251 0.501 0.861 H 0.499 0.740 0.137 H 0.256 0.998 0.631 <coord> |
<forme>-3.66<forme><bg>6.64<bg><abc>4.924 6.270 6.270<abc><angles>120.000 90.000 90.000<angles><comp>Rb2 Zr1 F6<comp><coord>Rb 0.312 0.667 0.333 Rb 0.688 0.333 0.667 Zr 0.000 0.000 0.000 F 0.228 0.158 0.315 F 0.228 0.158 0.842 F 0.228 0.685 0.842 F 0.772 0.842 0.685 F 0.772 0.842 0.158 F 0.772 0.315 0.158 <coord> |
<forme>-1.53<forme><bg>0.0<bg><abc>3.042 3.042 11.735<abc><angles>82.553 82.553 60.000<angles><comp>V1 Fe1 Cu2 O4<comp><coord>V 0.500 0.500 0.500 Fe 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750 O 0.697 0.697 0.909 O 0.197 0.197 0.410 O 0.303 0.303 0.091 O 0.803 0.803 0.590 <coord> |
<forme>-0.8<forme><bg>0.0<bg><abc>5.394 5.394 5.394<abc><angles>60.000 60.000 60.000<angles><comp>Ce2 Ir4<comp><coord>Ce 0.750 0.750 0.750 Ce 0.000 0.000 0.000 Ir 0.375 0.375 0.375 Ir 0.375 0.875 0.375 Ir 0.375 0.375 0.875 Ir 0.875 0.375 0.375 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>5.321 6.211 17.753<abc><angles>84.904 81.380 64.635<angles><comp>Sr6 Al4 In8<comp><coord>Sr 0.611 0.707 0.070 Sr 0.944 0.711 0.400 Sr 0.276 0.712 0.735 Sr 0.722 0.291 0.265 Sr 0.054 0.294 0.599 Sr 0.386 0.295 0.933 Al 0.296 0.274 0.134 Al 0.639 0.257 0.465 Al 0.972 0.258 0.799 Al 0.037 0.726 0.200 In 0.375 0.717 0.532 In 0.708 0.717 0.866 In 0.907 0.106 0.080 In 0.239 0.114 0.408 In 0.571 0.116 0.742 In 0.425 0.895 0.256 In 0.752 0.904 0.592 In 0.085 0.905 0.925 <coord> |
<forme>-1.14<forme><bg>0.8<bg><abc>3.221 3.221 36.376<abc><angles>90.000 90.000 120.000<angles><comp>Mo4 Se2 S6<comp><coord>Mo 0.000 0.000 0.906 Mo 0.000 0.000 0.530 Mo 0.667 0.333 0.718 Mo 0.667 0.333 0.342 Se 0.667 0.333 0.577 Se 0.667 0.333 0.483 S 0.000 0.000 0.675 S 0.000 0.000 0.300 S 0.667 0.333 0.949 S 0.667 0.333 0.863 S 0.000 0.000 0.761 S 0.000 0.000 0.385 <coord> |
<forme>-0.88<forme><bg>0.0<bg><abc>3.420 6.426 7.721<abc><angles>90.000 90.000 90.000<angles><comp>Nb4 V4 P4<comp><coord>Nb 0.250 0.038 0.831 Nb 0.250 0.538 0.669 Nb 0.750 0.962 0.169 Nb 0.750 0.462 0.331 V 0.250 0.136 0.442 V 0.250 0.636 0.058 V 0.750 0.864 0.558 V 0.750 0.364 0.942 P 0.250 0.761 0.361 P 0.250 0.261 0.139 P 0.750 0.239 0.639 P 0.750 0.739 0.861 <coord> |
<forme>-0.05<forme><bg>0.0<bg><abc>5.295 5.295 5.295<abc><angles>60.000 60.000 60.000<angles><comp>Tm1 Lu1 Mg2<comp><coord>Tm 0.000 0.000 0.000 Lu 0.500 0.500 0.500 Mg 0.750 0.750 0.750 Mg 0.250 0.250 0.250 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>5.205 5.205 5.205<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Sm2 Ga1<comp><coord>Li 0.000 0.000 0.000 Sm 0.750 0.750 0.750 Sm 0.250 0.250 0.250 Ga 0.500 0.500 0.500 <coord> |
<forme>-0.51<forme><bg>1.4<bg><abc>6.406 7.422 8.659<abc><angles>83.082 84.049 78.424<angles><comp>P2 Au2 S8<comp><coord>P 0.735 0.250 0.245 P 0.265 0.750 0.755 Au 0.500 0.500 0.500 Au 0.000 0.000 0.000 S 0.263 0.724 0.994 S 0.737 0.276 0.006 S 0.438 0.259 0.363 S 0.562 0.741 0.637 S 0.058 0.001 0.724 S 0.942 0.999 0.276 S 0.176 0.536 0.664 S 0.824 0.464 0.336 <coord> |
<forme>-1.52<forme><bg>0.0<bg><abc>5.403 5.403 5.403<abc><angles>90.000 90.000 90.000<angles><comp>Cs1 Hg1 Cl3<comp><coord>Cs 0.000 0.000 0.000 Hg 0.500 0.500 0.500 Cl 0.000 0.500 0.500 Cl 0.500 0.500 0.000 Cl 0.500 0.000 0.500 <coord> |
<forme>-2.29<forme><bg>3.39<bg><abc>5.438 5.438 6.226<abc><angles>76.580 76.580 117.941<angles><comp>Li2 Ni2 P2 O8<comp><coord>Li 0.562 0.938 0.250 Li 0.812 0.688 0.750 Ni 0.437 0.063 0.750 Ni 0.187 0.313 0.250 P 0.871 0.629 0.250 P 0.121 0.379 0.750 O 0.671 0.623 0.108 O 0.269 0.721 0.608 O 0.877 0.829 0.392 O 0.779 0.231 0.892 O 0.202 0.745 0.087 O 0.167 0.211 0.587 O 0.755 0.298 0.413 O 0.289 0.333 0.913 <coord> |
<forme>-1.22<forme><bg>1.08<bg><abc>4.237 5.947 6.326<abc><angles>90.000 90.000 90.000<angles><comp>K4 O2<comp><coord>K 0.500 0.829 0.204 K 0.000 0.329 0.296 K 0.000 0.671 0.704 K 0.500 0.171 0.796 O 0.000 0.000 0.000 O 0.500 0.500 0.500 <coord> |
<forme>-0.77<forme><bg>0.22<bg><abc>8.145 8.145 8.145<abc><angles>60.836 60.836 60.836<angles><comp>In4 Ag2 Se6 Br2<comp><coord>In 0.000 0.000 0.000 In 0.500 0.000 0.000 In 0.000 0.500 0.000 In 0.000 0.000 0.500 Ag 0.408 0.408 0.408 Ag 0.592 0.592 0.592 Se 0.213 0.759 0.759 Se 0.759 0.213 0.759 Se 0.759 0.759 0.213 Se 0.787 0.241 0.241 Se 0.241 0.787 0.241 Se 0.241 0.241 0.787 Br 0.744 0.744 0.744 Br 0.256 0.256 0.256 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>5.361 5.361 5.361<abc><angles>60.000 60.000 60.000<angles><comp>Y1 Er1 Tl2<comp><coord>Y 0.000 0.000 0.000 Er 0.500 0.500 0.500 Tl 0.750 0.750 0.750 Tl 0.250 0.250 0.250 <coord> |
<forme>-3.21<forme><bg>2.99<bg><abc>6.032 6.032 6.032<abc><angles>106.201 106.201 116.230<angles><comp>Tb2 V2 O8<comp><coord>Tb 0.000 0.000 0.000 Tb 0.750 0.250 0.500 V 0.250 0.750 0.500 V 0.500 0.500 0.000 O 0.675 0.860 0.184 O 0.610 0.925 0.684 O 0.241 0.925 0.316 O 0.675 0.491 0.816 O 0.140 0.325 0.816 O 0.075 0.390 0.316 O 0.075 0.759 0.684 O 0.509 0.325 0.184 <coord> |
<forme>-2.06<forme><bg>2.26<bg><abc>4.068 4.068 8.382<abc><angles>75.955 75.955 60.000<angles><comp>Cs1 Er1 S2<comp><coord>Cs 0.000 0.000 0.000 Er 0.500 0.500 0.500 S 0.227 0.227 0.319 S 0.773 0.773 0.681 <coord> |
<forme>-0.81<forme><bg>1.9<bg><abc>6.084 8.683 8.683<abc><angles>105.614 90.000 90.000<angles><comp>Cs2 Cu4 I6<comp><coord>Cs 0.250 0.328 0.672 Cs 0.750 0.672 0.328 Cu 0.000 0.138 0.138 Cu 0.500 0.862 0.862 Cu 1.000 0.862 0.862 Cu 0.500 0.138 0.138 I 0.250 0.880 0.120 I 0.750 0.120 0.880 I 0.750 0.608 0.839 I 0.250 0.392 0.161 I 0.250 0.839 0.608 I 0.750 0.161 0.392 <coord> |
<forme>-2.08<forme><bg>0.0<bg><abc>4.150 4.150 4.150<abc><angles>60.000 60.000 60.000<angles><comp>Gd1 Se1<comp><coord>Gd 0.000 0.000 0.000 Se 0.500 0.500 0.500 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>5.515 5.515 5.515<abc><angles>60.000 60.000 60.000<angles><comp>Na1 La1 Tl2<comp><coord>Na 0.000 0.000 0.000 La 0.500 0.500 0.500 Tl 0.250 0.250 0.250 Tl 0.750 0.750 0.750 <coord> |
<forme>-3.18<forme><bg>1.84<bg><abc>3.979 6.235 10.728<abc><angles>90.000 90.000 90.000<angles><comp>Ba2 Nb4 O12<comp><coord>Ba 0.500 0.312 0.750 Ba 0.500 0.688 0.250 Nb 0.000 0.215 0.078 Nb 0.000 0.215 0.422 Nb 0.000 0.785 0.578 Nb 0.000 0.785 0.922 O 0.500 0.221 0.413 O 0.000 0.895 0.393 O 0.000 0.895 0.107 O 0.500 0.221 0.087 O 0.000 0.105 0.607 O 0.500 0.779 0.587 O 0.500 0.779 0.913 O 0.000 0.344 0.250 O 0.000 0.500 0.000 O 0.000 0.105 0.893 O 0.000 0.656 0.750 O 0.000 0.500 0.500 <coord> |
<forme>-4.22<forme><bg>5.92<bg><abc>5.742 6.149 8.339<abc><angles>102.032 90.000 90.000<angles><comp>Y2 Zr2 F14<comp><coord>Y 0.697 0.655 0.684 Y 0.197 0.345 0.316 Zr 0.707 0.812 0.224 Zr 0.207 0.188 0.776 F 0.890 0.455 0.478 F 0.390 0.545 0.522 F 0.427 0.925 0.769 F 0.927 0.075 0.231 F 0.945 0.958 0.760 F 0.445 0.042 0.240 F 0.994 0.457 0.787 F 0.494 0.543 0.213 F 0.703 0.754 0.975 F 0.203 0.246 0.025 F 0.710 0.860 0.473 F 0.210 0.140 0.527 F 0.503 0.379 0.782 F 0.003 0.621 0.218 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>4.636 4.636 7.603<abc><angles>90.000 90.000 120.000<angles><comp>Yb2 Cu2 Bi2<comp><coord>Yb 0.000 0.000 0.013 Yb 0.000 0.000 0.513 Cu 0.333 0.667 0.181 Cu 0.667 0.333 0.681 Bi 0.667 0.333 0.282 Bi 0.333 0.667 0.782 <coord> |
<forme>-0.26<forme><bg>0.71<bg><abc>5.954 5.954 5.954<abc><angles>60.000 60.000 60.000<angles><comp>Cs1 K2 As1<comp><coord>Cs 0.000 0.000 0.000 K 0.750 0.750 0.750 K 0.250 0.250 0.250 As 0.500 0.500 0.500 <coord> |
<forme>-1.89<forme><bg>0.0<bg><abc>6.501 6.501 6.501<abc><angles>109.471 109.471 109.471<angles><comp>Mn7 Cd1 O12<comp><coord>Mn 0.500 0.500 0.000 Mn 0.500 0.000 0.500 Mn 0.000 0.500 0.500 Mn 0.500 0.500 0.500 Mn 0.000 0.000 0.500 Mn 1.000 0.500 0.000 Mn 0.500 1.000 0.000 Cd 0.000 0.000 0.000 O 0.309 0.179 0.489 O 0.691 0.821 0.511 O 0.309 0.821 0.130 O 0.691 0.179 0.870 O 0.821 0.511 0.691 O 0.179 0.489 0.309 O 0.179 0.870 0.691 O 0.821 0.130 0.309 O 0.130 0.309 0.821 O 0.870 0.691 0.179 O 0.489 0.309 0.179 O 0.511 0.691 0.821 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>5.003 6.551 6.551<abc><angles>69.266 67.553 67.553<angles><comp>Ho4 Fe2 C8<comp><coord>Ho 0.145 0.511 0.199 Ho 0.855 0.489 0.801 Ho 0.645 0.199 0.511 Ho 0.355 0.801 0.489 Fe 0.250 0.000 0.000 Fe 0.750 0.000 0.000 C 0.371 0.467 0.790 C 0.629 0.533 0.210 C 0.871 0.790 0.467 C 0.129 0.210 0.533 C 0.422 0.243 0.912 C 0.578 0.757 0.088 C 0.922 0.912 0.243 C 0.078 0.088 0.757 <coord> |
<forme>-0.92<forme><bg>2.13<bg><abc>5.905 7.413 8.246<abc><angles>104.964 93.781 112.436<angles><comp>K1 Au1 I4 O12<comp><coord>K 0.191 0.099 0.885 Au 0.415 0.097 0.374 I 0.501 0.789 0.585 I 0.883 0.403 0.235 I 0.807 0.444 0.744 I 0.504 0.743 0.065 O 0.354 0.781 0.772 O 0.480 0.299 0.608 O 0.266 0.863 0.472 O 0.818 0.695 0.751 O 0.760 0.041 0.661 O 0.865 0.153 0.119 O 0.223 0.504 0.003 O 0.641 0.755 0.274 O 0.682 0.429 0.940 O 0.314 0.902 0.135 O 0.546 0.331 0.271 O 0.027 0.430 0.449 <coord> |
<forme>-2.11<forme><bg>2.5<bg><abc>7.286 7.286 7.286<abc><angles>60.000 60.000 60.000<angles><comp>K2 Er1 Cu1 Cl6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 Er 0.000 0.000 0.000 Cu 0.500 0.500 0.500 Cl 0.253 0.747 0.253 Cl 0.253 0.253 0.747 Cl 0.747 0.253 0.747 Cl 0.253 0.747 0.747 Cl 0.747 0.253 0.253 Cl 0.747 0.747 0.253 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>4.045 6.821 7.615<abc><angles>90.000 90.000 90.000<angles><comp>Ce2 Al8 Co2<comp><coord>Ce 0.000 0.616 0.750 Ce 0.000 0.384 0.250 Al 0.500 0.302 0.569 Al 0.500 0.698 0.431 Al 0.500 0.302 0.931 Al 0.500 0.698 0.069 Al 0.000 0.000 0.000 Al 0.000 0.000 0.500 Al 0.500 0.045 0.250 Al 0.500 0.955 0.750 Co 0.000 0.194 0.750 Co 0.000 0.806 0.250 <coord> |
<forme>-3.26<forme><bg>5.59<bg><abc>5.162 6.982 6.982<abc><angles>75.935 70.957 70.957<angles><comp>Si4 O8<comp><coord>Si 0.367 0.947 0.743 Si 0.133 0.257 0.053 Si 0.633 0.053 0.257 Si 0.867 0.743 0.947 O 0.000 0.500 0.000 O 0.500 0.000 0.500 O 0.895 0.152 0.220 O 0.605 0.780 0.848 O 0.250 0.158 0.842 O 0.750 0.842 0.158 O 0.395 0.220 0.152 O 0.105 0.848 0.780 <coord> |
<forme>-3.47<forme><bg>3.2<bg><abc>5.858 5.963 8.337<abc><angles>90.000 89.798 90.000<angles><comp>Sr4 Y2 Nb2 O12<comp><coord>Sr 0.009 0.460 0.249 Sr 0.491 0.960 0.251 Sr 0.509 0.040 0.749 Sr 0.991 0.540 0.751 Y 0.500 0.500 0.500 Y 0.000 0.000 0.000 Nb 0.000 0.000 0.500 Nb 0.500 0.500 0.000 O 0.276 0.196 0.457 O 0.224 0.696 0.043 O 0.724 0.804 0.543 O 0.776 0.304 0.957 O 0.194 0.724 0.453 O 0.306 0.224 0.047 O 0.806 0.276 0.547 O 0.694 0.776 0.953 O 0.916 0.027 0.265 O 0.584 0.527 0.235 O 0.084 0.973 0.735 O 0.416 0.473 0.765 <coord> |
<forme>-0.39<forme><bg>0.0<bg><abc>3.846 5.231 5.231<abc><angles>120.000 90.000 90.000<angles><comp>La1 Al1 Cu1 Ni3<comp><coord>La 1.000 0.333 0.667 Al 0.000 0.000 0.000 Cu 1.000 0.667 0.333 Ni 0.500 0.335 0.167 Ni 0.500 0.833 0.665 Ni 0.500 0.833 0.167 <coord> |
<forme>-1.1<forme><bg>0.22<bg><abc>4.340 6.907 7.482<abc><angles>90.606 90.000 90.000<angles><comp>Dy2 Cu2 Te4<comp><coord>Dy 0.000 0.000 0.000 Dy 0.500 0.000 0.500 Cu 0.500 0.649 0.162 Cu 0.500 0.351 0.838 Te 0.500 0.261 0.175 Te 1.000 0.266 0.661 Te 1.000 0.734 0.339 Te 0.500 0.739 0.825 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>4.073 5.309 5.309<abc><angles>120.000 90.000 90.000<angles><comp>Th1 Al3 Ni2<comp><coord>Th 0.000 0.000 0.000 Al 0.500 0.500 0.500 Al 0.500 0.500 0.000 Al 0.500 1.000 0.500 Ni 0.000 0.667 0.333 Ni 0.000 0.333 0.667 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>6.079 6.079 14.768<abc><angles>90.000 90.000 120.000<angles><comp>Ba6 Al10<comp><coord>Ba 0.000 0.000 0.500 Ba 0.000 0.000 0.000 Ba 0.667 0.333 0.126 Ba 0.333 0.667 0.626 Ba 0.333 0.667 0.874 Ba 0.667 0.333 0.374 Al 0.154 0.846 0.250 Al 0.846 0.691 0.750 Al 0.309 0.154 0.750 Al 0.691 0.846 0.250 Al 0.154 0.309 0.250 Al 0.846 0.154 0.750 Al 0.667 0.333 0.884 Al 0.333 0.667 0.384 Al 0.333 0.667 0.116 Al 0.667 0.333 0.616 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>3.702 3.740 3.740<abc><angles>105.018 90.000 90.000<angles><comp>Gd1 Fe1 C2<comp><coord>Gd 1.000 0.997 0.003 Fe 0.500 0.386 0.614 C 0.500 0.855 0.453 C 0.500 0.547 0.145 <coord> |
<forme>-0.25<forme><bg>0.0<bg><abc>4.041 4.041 4.041<abc><angles>90.000 90.000 90.000<angles><comp>Cd1 Pd3<comp><coord>Cd 0.000 0.000 0.000 Pd 0.000 0.500 0.500 Pd 0.500 0.000 0.500 Pd 0.500 0.500 0.000 <coord> |
<forme>0.0<forme><bg>0.0<bg><abc>2.829 4.577 4.577<abc><angles>120.000 90.000 90.000<angles><comp>Ti3<comp><coord>Ti 0.000 0.000 0.000 Ti 0.500 0.667 0.333 Ti 0.500 0.333 0.667 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>3.994 3.994 6.929<abc><angles>73.251 73.251 60.000<angles><comp>Mn2 Fe4 Si1 Ge1<comp><coord>Mn 0.250 0.250 0.250 Mn 0.750 0.750 0.750 Fe 0.873 0.873 0.382 Fe 0.378 0.378 0.865 Fe 0.127 0.127 0.618 Fe 0.622 0.622 0.135 Si 0.500 0.500 0.500 Ge 0.000 0.000 0.000 <coord> |
<forme>-3.13<forme><bg>0.0<bg><abc>6.380 6.650 9.132<abc><angles>90.000 90.502 90.000<angles><comp>K6 Yb2 F12<comp><coord>K 0.000 0.000 0.500 K 0.500 0.500 0.000 K 0.014 0.555 0.254 K 0.986 0.445 0.746 K 0.486 0.055 0.246 K 0.514 0.945 0.754 Yb 0.000 0.000 0.000 Yb 0.500 0.500 0.500 F 0.174 0.276 0.069 F 0.826 0.724 0.931 F 0.326 0.776 0.431 F 0.674 0.224 0.569 F 0.887 0.942 0.226 F 0.113 0.058 0.774 F 0.613 0.442 0.274 F 0.387 0.558 0.726 F 0.282 0.822 0.051 F 0.718 0.178 0.949 F 0.218 0.322 0.449 F 0.782 0.678 0.551 <coord> |
<forme>-2.47<forme><bg>0.0<bg><abc>4.856 6.746 6.746<abc><angles>90.000 90.000 90.000<angles><comp>Nb8 O10<comp><coord>Nb 0.296 0.296 0.000 Nb 0.796 0.500 0.204 Nb 0.204 0.796 0.500 Nb 0.796 0.500 0.796 Nb 0.204 0.204 0.500 Nb 0.704 0.000 0.704 Nb 0.296 0.704 0.000 Nb 0.704 1.000 0.296 O 0.500 0.286 0.286 O 0.500 0.286 0.714 O 0.500 0.000 0.000 O 0.500 0.714 0.286 O 0.000 0.786 0.786 O 0.500 0.714 0.714 O 1.000 0.214 0.786 O 0.000 0.786 0.214 O 1.000 0.214 0.214 O 1.000 0.500 0.500 <coord> |
<forme>-0.52<forme><bg>0.0<bg><abc>3.762 6.302 7.155<abc><angles>90.000 90.000 90.000<angles><comp>Nb4 Co4 As4<comp><coord>Nb 0.250 0.025 0.328 Nb 0.250 0.525 0.172 Nb 0.750 0.975 0.672 Nb 0.750 0.475 0.828 Co 0.250 0.150 0.937 Co 0.250 0.650 0.563 Co 0.750 0.850 0.063 Co 0.750 0.350 0.437 As 0.250 0.278 0.621 As 0.250 0.778 0.879 As 0.750 0.722 0.379 As 0.750 0.222 0.121 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>3.853 4.005 6.853<abc><angles>90.000 90.000 90.000<angles><comp>U2 Si3 Ni1<comp><coord>U 0.000 0.500 0.999 U 0.000 0.000 0.501 Si 0.500 0.000 0.835 Si 0.500 0.000 0.175 Si 0.500 0.500 0.659 Ni 0.500 0.500 0.332 <coord> |
<forme>-2.5<forme><bg>0.0<bg><abc>5.729 5.777 5.785<abc><angles>60.304 60.411 60.530<angles><comp>Ba2 Fe1 Mo1 O6<comp><coord>Ba 0.250 0.250 0.250 Ba 0.750 0.750 0.750 Fe 1.000 0.000 0.000 Mo 0.500 0.500 0.500 O 0.251 0.749 0.749 O 0.749 0.251 0.251 O 0.743 0.746 0.254 O 0.256 0.747 0.253 O 0.257 0.254 0.746 O 0.744 0.253 0.747 <coord> |
<forme>-3.88<forme><bg>7.41<bg><abc>5.913 6.565 7.259<abc><angles>113.674 90.000 90.000<angles><comp>Rb2 Y2 Be2 F12<comp><coord>Rb 0.750 0.921 0.788 Rb 0.250 0.079 0.212 Y 0.750 0.609 0.180 Y 0.250 0.391 0.820 Be 0.750 0.233 0.464 Be 0.250 0.767 0.536 F 0.536 0.241 0.595 F 0.464 0.759 0.405 F 0.036 0.759 0.405 F 0.964 0.241 0.595 F 0.750 0.431 0.399 F 0.250 0.569 0.601 F 0.501 0.324 0.031 F 0.499 0.676 0.969 F 0.001 0.676 0.969 F 0.999 0.324 0.031 F 0.750 0.006 0.272 F 0.250 0.994 0.728 <coord> |
<forme>-0.81<forme><bg>0.82<bg><abc>3.985 5.879 7.035<abc><angles>114.700 106.453 90.000<angles><comp>In2 S3<comp><coord>In 0.341 0.333 0.681 In 0.659 0.652 0.319 S 0.835 0.594 0.670 S 0.165 0.924 0.330 S 0.500 0.247 0.000 <coord> |
<forme>-2.89<forme><bg>4.14<bg><abc>6.409 6.409 6.409<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Na1 Sb1 F6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Na 0.500 0.500 0.500 Sb 0.000 0.000 0.000 F 0.244 0.756 0.244 F 0.244 0.244 0.756 F 0.756 0.244 0.756 F 0.244 0.756 0.756 F 0.756 0.244 0.244 F 0.756 0.756 0.244 <coord> |
<forme>-0.81<forme><bg>0.0<bg><abc>4.021 4.667 5.894<abc><angles>90.000 109.945 90.000<angles><comp>Ca2 Au2<comp><coord>Ca 0.139 0.750 0.279 Ca 0.861 0.250 0.721 Au 0.419 0.750 0.838 Au 0.581 0.250 0.162 <coord> |
<forme>-0.03<forme><bg>0.0<bg><abc>4.489 5.003 6.214<abc><angles>96.869 111.173 90.000<angles><comp>Mn8 Fe2 C4<comp><coord>Mn 0.369 0.189 0.564 Mn 0.805 0.311 0.436 Mn 0.426 0.750 0.000 Mn 0.572 0.250 0.000 Mn 0.008 0.920 0.198 Mn 0.810 0.580 0.802 Mn 0.988 0.085 0.806 Mn 0.182 0.415 0.194 Fe 0.637 0.811 0.434 Fe 0.204 0.689 0.566 C 0.797 0.580 0.227 C 0.571 0.920 0.773 C 0.201 0.422 0.771 C 0.430 0.078 0.229 <coord> |
<forme>-2.02<forme><bg>0.62<bg><abc>2.942 5.086 12.101<abc><angles>95.665 94.255 90.881<angles><comp>Li6 Mn3 Co1 O10<comp><coord>Li 0.899 0.307 0.799 Li 0.299 0.094 0.601 Li 0.695 0.905 0.393 Li 0.100 0.700 0.200 Li 0.507 0.496 0.006 Li 0.600 0.201 0.201 Mn 0.012 0.011 0.007 Mn 0.190 0.392 0.395 Mn 0.408 0.796 0.799 Co 0.786 0.601 0.598 O 0.479 0.124 0.908 O 0.821 0.932 0.698 O 0.208 0.724 0.503 O 0.667 0.533 0.313 O 0.040 0.329 0.091 O 0.375 0.462 0.696 O 0.724 0.282 0.493 O 0.162 0.072 0.311 O 0.535 0.869 0.088 O 0.994 0.672 0.898 <coord> |
<forme>-1.46<forme><bg>1.51<bg><abc>7.340 8.322 8.322<abc><angles>120.000 90.000 90.000<angles><comp>Cs6 I2 O2<comp><coord>Cs 0.750 0.848 0.152 Cs 0.250 0.152 0.848 Cs 0.750 0.304 0.152 Cs 0.250 0.696 0.848 Cs 0.750 0.848 0.696 Cs 0.250 0.152 0.304 I 0.250 0.667 0.333 I 0.750 0.333 0.667 O 0.000 0.000 0.000 O 0.500 0.000 0.000 <coord> |
<forme>-1.36<forme><bg>0.0<bg><abc>3.055 4.534 4.534<abc><angles>91.423 90.000 90.000<angles><comp>As1 Rh1 O4<comp><coord>As 0.000 0.000 0.000 Rh 0.500 0.500 0.500 O 0.500 0.815 0.185 O 0.500 0.185 0.815 O 0.000 0.292 0.292 O 0.000 0.708 0.708 <coord> |
<forme>-1.22<forme><bg>2.43<bg><abc>4.843 4.843 7.976<abc><angles>90.000 90.000 90.000<angles><comp>Cs2 Na2 S2<comp><coord>Cs 0.500 0.000 0.652 Cs 0.000 0.500 0.348 Na 0.500 0.500 0.000 Na 0.000 0.000 0.000 S 0.000 0.500 0.807 S 0.500 0.000 0.193 <coord> |
<forme>-0.48<forme><bg>0.0<bg><abc>3.643 5.724 6.160<abc><angles>90.000 90.000 90.000<angles><comp>As4 Rh4<comp><coord>As 0.250 0.695 0.085 As 0.750 0.305 0.915 As 0.250 0.195 0.415 As 0.750 0.805 0.585 Rh 0.250 0.503 0.694 Rh 0.750 0.497 0.306 Rh 0.250 0.003 0.806 Rh 0.750 0.997 0.194 <coord> |
<forme>-1.53<forme><bg>0.55<bg><abc>4.522 10.471 14.351<abc><angles>90.000 90.000 102.471<angles><comp>Ba4 Y2 Ga2 Te10<comp><coord>Ba 0.127 0.255 0.821 Ba 0.873 0.745 0.321 Ba 0.121 0.242 0.183 Ba 0.879 0.758 0.683 Y 0.205 0.410 0.521 Y 0.795 0.590 0.021 Ga 0.441 0.882 0.924 Ga 0.559 0.118 0.424 Te 0.352 0.704 0.503 Te 0.648 0.296 0.003 Te 0.296 0.592 0.165 Te 0.704 0.408 0.665 Te 0.313 0.626 0.867 Te 0.687 0.374 0.367 Te 0.502 0.003 0.764 Te 0.498 0.997 0.264 Te 0.046 0.091 0.532 Te 0.954 0.909 0.032 <coord> |
<forme>-3.33<forme><bg>2.85<bg><abc>4.778 4.778 9.264<abc><angles>90.000 90.000 90.000<angles><comp>Mg2 Ta4 O12<comp><coord>Mg 0.000 0.000 0.000 Mg 0.500 0.500 0.500 Ta 0.500 0.500 0.832 Ta 0.000 0.000 0.332 Ta 0.500 0.500 0.168 Ta 0.000 0.000 0.668 O 0.703 0.703 0.676 O 0.297 0.297 0.676 O 0.703 0.703 0.324 O 0.203 0.797 0.176 O 0.797 0.203 0.176 O 0.797 0.203 0.824 O 0.311 0.311 0.000 O 0.189 0.811 0.500 O 0.811 0.189 0.500 O 0.689 0.689 0.000 O 0.297 0.297 0.324 O 0.203 0.797 0.824 <coord> |
<forme>-1.91<forme><bg>0.47<bg><abc>5.049 5.150 7.873<abc><angles>107.371 102.901 99.427<angles><comp>Li5 Mn3 Ni2 O10<comp><coord>Li 0.198 0.935 0.425 Li 0.392 0.280 0.765 Li 0.500 0.500 0.500 Li 0.608 0.720 0.235 Li 0.802 0.065 0.575 Mn 0.000 0.500 0.000 Mn 0.691 0.898 0.895 Mn 0.309 0.102 0.105 Ni 0.098 0.688 0.682 Ni 0.902 0.312 0.318 O 0.038 0.111 0.872 O 0.363 0.739 0.956 O 0.143 0.306 0.553 O 0.236 0.459 0.218 O 0.475 0.907 0.674 O 0.525 0.093 0.326 O 0.764 0.541 0.782 O 0.857 0.694 0.447 O 0.637 0.261 0.044 O 0.962 0.889 0.128 <coord> |
<forme>-1.24<forme><bg>0.2<bg><abc>6.991 6.991 9.351<abc><angles>90.000 90.000 90.000<angles><comp>Rb2 Pr2 Te8<comp><coord>Rb 0.500 0.500 0.000 Rb 0.000 0.000 0.000 Pr 0.500 0.500 0.500 Pr 0.000 0.000 0.500 Te 0.357 0.857 0.294 Te 0.143 0.357 0.294 Te 0.857 0.643 0.294 Te 0.357 0.143 0.706 Te 0.643 0.857 0.706 Te 0.643 0.143 0.294 Te 0.857 0.357 0.706 Te 0.143 0.643 0.706 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>3.644 6.546 11.915<abc><angles>90.000 90.000 90.000<angles><comp>Ho8 C10<comp><coord>Ho 0.000 0.256 0.542 Ho 0.000 0.744 0.458 Ho 0.000 0.756 0.958 Ho 0.000 0.244 0.042 Ho 0.500 0.106 0.804 Ho 0.500 0.894 0.196 Ho 0.500 0.606 0.696 Ho 0.500 0.394 0.304 C 0.500 0.500 0.500 C 0.500 0.000 0.000 C 0.000 0.359 0.735 C 0.000 0.641 0.265 C 0.000 0.859 0.765 C 0.000 0.141 0.235 C 0.000 0.402 0.844 C 0.000 0.598 0.156 C 0.000 0.098 0.344 C 0.000 0.902 0.656 <coord> |
<forme>-0.06<forme><bg>0.0<bg><abc>5.324 5.324 5.324<abc><angles>60.000 60.000 60.000<angles><comp>Ho1 Tm1 Mg2<comp><coord>Ho 0.500 0.500 0.500 Tm 0.000 0.000 0.000 Mg 0.750 0.750 0.750 Mg 0.250 0.250 0.250 <coord> |
<forme>-0.99<forme><bg>0.0<bg><abc>5.125 5.125 5.125<abc><angles>60.000 60.000 60.000<angles><comp>Pm1 Eu1 Pt2<comp><coord>Pm 0.000 0.000 0.000 Eu 0.500 0.500 0.500 Pt 0.750 0.750 0.750 Pt 0.250 0.250 0.250 <coord> |
<forme>-0.29<forme><bg>0.23<bg><abc>3.399 3.399 5.552<abc><angles>90.000 90.000 120.000<angles><comp>In1 Ga1 N2<comp><coord>In 0.000 0.000 0.002 Ga 0.333 0.667 0.505 N 0.333 0.667 0.854 N 0.000 0.000 0.398 <coord> |
<forme>-0.71<forme><bg>0.0<bg><abc>3.095 3.095 3.095<abc><angles>90.000 90.000 90.000<angles><comp>Ti1 Os1<comp><coord>Ti 0.500 0.500 0.500 Os 0.000 0.000 0.000 <coord> |
<forme>-3.5<forme><bg>3.06<bg><abc>3.920 3.920 6.763<abc><angles>90.000 90.000 120.000<angles><comp>Sm2 S1 O2<comp><coord>Sm 0.667 0.333 0.719 Sm 0.333 0.667 0.281 S 0.000 0.000 0.000 O 0.667 0.333 0.371 O 0.333 0.667 0.629 <coord> |
<forme>-0.42<forme><bg>0.0<bg><abc>4.899 4.899 10.494<abc><angles>90.000 90.000 120.000<angles><comp>K2 Hg2 Sb2<comp><coord>K 0.000 0.000 0.500 K 0.000 0.000 0.000 Hg 0.333 0.667 0.750 Hg 0.667 0.333 0.250 Sb 0.667 0.333 0.750 Sb 0.333 0.667 0.250 <coord> |
<forme>-0.24<forme><bg>0.0<bg><abc>4.602 8.412 14.397<abc><angles>106.987 90.000 90.000<angles><comp>Ba2 Rh6 Pb12<comp><coord>Ba 0.750 0.411 0.821 Ba 0.250 0.589 0.179 Rh 0.250 0.029 0.435 Rh 0.250 0.037 0.074 Rh 0.750 0.971 0.565 Rh 0.750 0.963 0.926 Rh 0.750 0.594 0.565 Rh 0.250 0.406 0.435 Pb 0.750 0.247 0.092 Pb 0.250 0.155 0.908 Pb 0.750 0.845 0.092 Pb 0.750 0.474 0.344 Pb 0.750 0.870 0.344 Pb 0.250 0.130 0.656 Pb 0.250 0.753 0.908 Pb 0.750 0.250 0.500 Pb 0.250 0.750 0.500 Pb 0.750 0.865 0.730 Pb 0.250 0.135 0.270 Pb 0.250 0.526 0.656 <coord> |
<forme>-3.66<forme><bg>0.0<bg><abc>4.064 6.714 6.940<abc><angles>110.006 90.000 90.000<angles><comp>Sr2 U2 O7<comp><coord>Sr 0.000 0.488 0.498 Sr 0.500 0.495 0.995 U 0.000 0.996 0.011 U 0.500 0.005 0.485 O 0.500 0.681 0.392 O 0.000 0.678 0.889 O 0.500 0.330 0.598 O 0.000 0.315 0.111 O 0.500 0.954 0.150 O 0.000 0.046 0.405 O 0.500 0.031 0.807 <coord> |
<forme>-0.1<forme><bg>0.0<bg><abc>3.684 6.069 6.069<abc><angles>120.000 90.000 90.000<angles><comp>Cr3 Fe3 As3<comp><coord>Cr 0.000 0.413 0.000 Cr 0.000 0.587 0.587 Cr 0.000 0.000 0.413 Fe 0.500 0.753 0.000 Fe 0.500 0.247 0.247 Fe 0.500 0.000 0.753 As 0.500 0.333 0.667 As 0.500 0.667 0.333 As 0.000 0.000 0.000 <coord> |
<forme>-0.6<forme><bg>0.0<bg><abc>5.065 5.065 5.065<abc><angles>60.000 60.000 60.000<angles><comp>Th1 Cd1 Au2<comp><coord>Th 0.000 0.000 0.000 Cd 0.500 0.500 0.500 Au 0.250 0.250 0.250 Au 0.750 0.750 0.750 <coord> |
<forme>-0.85<forme><bg>0.14<bg><abc>3.926 3.926 12.831<abc><angles>81.200 81.200 60.000<angles><comp>Zn1 In2 S4<comp><coord>Zn 0.608 0.608 0.176 In 0.837 0.837 0.488 In 0.065 0.065 0.806 S 0.955 0.955 0.136 S 0.703 0.703 0.891 S 0.537 0.537 0.389 S 0.130 0.130 0.611 <coord> |
<forme>-0.08<forme><bg>0.0<bg><abc>3.301 5.633 6.890<abc><angles>78.712 76.140 72.962<angles><comp>Zr4 Cu2<comp><coord>Zr 0.080 0.684 0.157 Zr 0.920 0.316 0.843 Zr 0.658 0.243 0.440 Zr 0.342 0.757 0.560 Cu 0.370 0.106 0.155 Cu 0.630 0.894 0.845 <coord> |
<forme>-0.64<forme><bg>0.0<bg><abc>4.566 4.566 4.566<abc><angles>60.000 60.000 60.000<angles><comp>Zr1 Zn1 Pd2<comp><coord>Zr 0.000 0.000 0.000 Zn 0.500 0.500 0.500 Pd 0.250 0.250 0.250 Pd 0.750 0.750 0.750 <coord> |
<forme>-2.0<forme><bg>4.02<bg><abc>8.056 8.056 8.056<abc><angles>60.000 60.000 60.000<angles><comp>Na6 Cd1 Cl8<comp><coord>Na 1.000 0.000 0.500 Na 0.500 0.000 0.000 Na 0.500 0.000 0.500 Na 0.000 0.500 0.000 Na 0.000 0.500 0.500 Na 0.500 0.500 0.000 Cd 0.000 0.000 0.000 Cl 0.765 0.235 0.235 Cl 0.750 0.750 0.750 Cl 0.250 0.250 0.250 Cl 0.235 0.765 0.765 Cl 0.765 0.235 0.765 Cl 0.235 0.765 0.235 Cl 0.765 0.765 0.235 Cl 0.235 0.235 0.765 <coord> |
<forme>-0.18<forme><bg>1.0<bg><abc>3.519 3.519 6.141<abc><angles>73.351 73.351 60.000<angles><comp>Si1 P1 Au1<comp><coord>Si 0.272 0.272 0.184 P 0.999 0.999 0.004 Au 0.137 0.137 0.590 <coord> |
<forme>-1.79<forme><bg>1.61<bg><abc>5.161 5.164 10.561<abc><angles>89.975 89.950 60.017<angles><comp>Mn5 Sn1 O12<comp><coord>Mn 0.833 0.333 0.500 Mn 0.333 0.333 0.000 Mn 0.667 0.667 0.000 Mn 0.167 0.667 0.500 Mn 0.500 0.000 0.500 Sn 0.000 0.000 0.000 O 0.645 0.355 0.095 O 0.000 0.355 0.905 O 0.500 0.667 0.412 O 0.167 0.333 0.412 O 0.833 0.667 0.588 O 0.166 0.000 0.588 O 0.500 0.333 0.588 O 1.000 0.645 0.095 O 0.354 0.000 0.095 O 0.355 0.645 0.905 O 0.646 0.000 0.905 O 0.834 0.000 0.412 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>6.434 9.409 9.409<abc><angles>120.000 90.000 90.000<angles><comp>Ce6 Mn2 Bi10<comp><coord>Ce 0.750 0.381 0.381 Ce 0.250 0.619 0.619 Ce 0.750 0.619 0.000 Ce 0.750 0.000 0.619 Ce 0.250 0.000 0.381 Ce 0.250 0.381 0.000 Mn 0.000 0.000 0.000 Mn 0.500 0.000 0.000 Bi 0.250 0.754 1.000 Bi 0.750 0.246 0.000 Bi 0.500 0.667 0.333 Bi 0.750 0.000 0.246 Bi 0.750 0.754 0.754 Bi 0.250 0.246 0.246 Bi 0.000 0.333 0.667 Bi 0.250 0.000 0.754 Bi 1.000 0.667 0.333 Bi 0.500 0.333 0.667 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>4.346 4.346 6.134<abc><angles>90.000 90.000 90.000<angles><comp>Hg2 Se1 S1<comp><coord>Hg 0.500 0.000 0.762 Hg 0.000 0.500 0.238 Se 0.000 0.000 0.500 S 0.500 0.500 0.000 <coord> |
<forme>-1.82<forme><bg>1.8<bg><abc>7.898 7.898 7.898<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 In2 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 In 0.500 0.500 0.500 In 0.000 0.000 0.000 Cl 0.230 0.770 0.230 Cl 0.230 0.230 0.770 Cl 0.770 0.230 0.770 Cl 0.230 0.770 0.770 Cl 0.770 0.230 0.230 Cl 0.770 0.770 0.230 <coord> |
<forme>-1.53<forme><bg>2.1<bg><abc>8.046 8.046 8.046<abc><angles>109.471 109.471 109.471<angles><comp>Cs4 Pb4 O6<comp><coord>Cs 0.511 1.000 1.000 Cs 0.000 0.500 0.011 Cs 0.500 0.511 0.500 Cs 0.989 0.989 0.489 Pb 0.973 0.000 0.000 Pb 0.000 0.500 0.473 Pb 0.500 0.973 0.500 Pb 0.527 0.527 0.027 O 0.750 0.737 0.987 O 0.250 0.763 0.513 O 0.763 0.013 0.750 O 0.737 0.487 0.250 O 0.013 0.250 0.263 O 0.487 0.750 0.237 <coord> |
<forme>-0.43<forme><bg>0.42<bg><abc>6.286 6.557 7.418<abc><angles>90.000 90.000 90.000<angles><comp>Cu6 P2 Se4 S4<comp><coord>Cu 0.527 0.833 0.500 Cu 0.027 0.167 0.000 Cu 0.487 0.341 0.246 Cu 0.487 0.341 0.754 Cu 0.987 0.659 0.254 Cu 0.987 0.659 0.746 P 0.020 0.183 0.500 P 0.520 0.817 0.000 Se 0.658 0.180 0.500 Se 0.158 0.820 0.000 Se 0.140 0.858 0.500 Se 0.640 0.142 0.000 S 0.128 0.338 0.264 S 0.128 0.338 0.736 S 0.628 0.662 0.236 S 0.628 0.662 0.764 <coord> |
<forme>-1.12<forme><bg>2.71<bg><abc>7.625 11.414 11.461<abc><angles>102.920 90.000 90.000<angles><comp>Sn4 Br16<comp><coord>Sn 0.923 0.750 0.133 Sn 0.423 0.250 0.367 Sn 0.077 0.250 0.867 Sn 0.577 0.750 0.633 Br 0.076 0.802 0.960 Br 0.576 0.198 0.540 Br 0.924 0.198 0.040 Br 0.424 0.802 0.460 Br 0.577 0.927 0.804 Br 0.077 0.073 0.696 Br 0.423 0.073 0.196 Br 0.923 0.927 0.304 Br 0.884 0.689 0.577 Br 0.384 0.311 0.923 Br 0.116 0.311 0.423 Br 0.616 0.689 0.077 Br 0.421 0.582 0.693 Br 0.921 0.418 0.807 Br 0.579 0.418 0.307 Br 0.079 0.582 0.193 <coord> |
<forme>-0.71<forme><bg>0.0<bg><abc>3.955 3.955 6.842<abc><angles>90.000 90.000 90.000<angles><comp>Gd2 Co2 Si2<comp><coord>Gd 0.000 0.500 0.320 Gd 0.500 0.000 0.680 Co 0.000 0.000 0.000 Co 0.500 0.500 0.000 Si 0.000 0.500 0.816 Si 0.500 0.000 0.184 <coord> |
<forme>-2.22<forme><bg>0.89<bg><abc>5.201 5.211 7.780<abc><angles>103.642 108.136 99.651<angles><comp>Li5 Mn3 Cr2 O10<comp><coord>Li 0.076 0.804 0.583 Li 0.725 0.610 0.224 Li 0.502 0.498 0.500 Li 0.930 0.213 0.422 Li 0.281 0.392 0.778 Mn 0.502 0.998 0.000 Mn 0.106 0.302 0.105 Mn 0.896 0.693 0.895 Cr 0.304 0.897 0.307 Cr 0.698 0.100 0.694 O 0.913 0.924 0.144 O 0.685 0.867 0.450 O 0.287 0.674 0.041 O 0.533 0.768 0.770 O 0.116 0.547 0.336 O 0.887 0.450 0.664 O 0.469 0.228 0.230 O 0.716 0.322 0.960 O 0.318 0.133 0.550 O 0.089 0.071 0.855 <coord> |
<forme>-0.62<forme><bg>0.0<bg><abc>7.069 7.069 7.069<abc><angles>109.471 109.471 109.471<angles><comp>Sc4 Ge6 Ru7<comp><coord>Sc 0.500 0.500 0.500 Sc 0.000 0.500 1.000 Sc 0.000 0.000 0.500 Sc 0.500 0.000 0.000 Ge 0.000 0.691 0.691 Ge 0.691 0.691 0.000 Ge 0.691 0.000 0.691 Ge 0.000 0.309 0.309 Ge 0.309 0.309 1.000 Ge 0.309 0.000 0.309 Ru 0.500 0.750 0.250 Ru 0.750 0.250 0.500 Ru 0.250 0.500 0.750 Ru 0.250 0.750 0.500 Ru 0.500 0.250 0.750 Ru 0.750 0.500 0.250 Ru 0.000 0.000 0.000 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>4.448 7.075 7.693<abc><angles>90.000 90.000 90.000<angles><comp>Er4 Ni4 Sn4<comp><coord>Er 0.250 0.008 0.797 Er 0.250 0.508 0.703 Er 0.750 0.492 0.297 Er 0.750 0.992 0.203 Ni 0.250 0.301 0.087 Ni 0.750 0.699 0.913 Ni 0.250 0.801 0.413 Ni 0.750 0.199 0.587 Sn 0.250 0.694 0.086 Sn 0.250 0.194 0.414 Sn 0.750 0.306 0.914 Sn 0.750 0.806 0.586 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.