text stringlengths 140 560 |
|---|
<forme>-0.6<forme><bg>0.0<bg><abc>6.022 6.187 6.244<abc><angles>77.693 70.183 74.262<angles><comp>Sr2 As6<comp><coord>Sr 0.661 0.678 0.649 Sr 0.339 0.322 0.351 As 0.788 1.000 0.009 As 0.212 0.000 0.991 As 0.183 0.863 0.401 As 0.817 0.137 0.599 As 0.793 0.590 0.115 As 0.207 0.410 0.885 <coord> |
<forme>-1.22<forme><bg>1.12<bg><abc>4.037 7.092 10.449<abc><angles>90.000 90.000 106.538<angles><comp>Lu2 Cu2 Pb2 Se6<comp><coord>Lu 0.501 0.003 0.506 Lu 0.499 0.997 0.006 Cu 0.034 0.067 0.755 Cu 0.966 0.933 0.255 Pb 0.746 0.491 0.764 Pb 0.254 0.509 0.264 Se 0.861 0.722 0.446 Se 0.861 0.721 0.065 Se 0.577 0.154 0.253 Se 0.423 0.846 0.753 Se 0.139 0.279 0.565 Se 0.139 0.278 0.946 <coord> |
<forme>-1.97<forme><bg>1.63<bg><abc>7.118 7.198 7.198<abc><angles>60.695 60.367 60.367<angles><comp>Cs2 V2 Te2 O12<comp><coord>Cs 0.620 0.630 0.130 Cs 0.380 0.370 0.870 V 0.500 0.000 0.500 V 0.000 1.000 0.500 Te 0.000 0.500 0.500 Te 0.000 0.000 0.000 O 0.078 0.672 0.172 O 0.699 0.051 0.551 O 0.073 0.062 0.185 O 0.680 0.685 0.562 O 0.680 0.062 0.185 O 0.073 0.685 0.562 O 0.922 0.328 0.828 O 0.301 0.949 0.449 O 0.927 0.938 0.815 O 0.320 0.315 0.438 O 0.320 0.938 0.815 O 0.927 0.315 0.438 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>4.424 6.747 6.747<abc><angles>83.830 70.863 70.863<angles><comp>Fe8 Ni4 P4<comp><coord>Fe 0.849 0.814 0.029 Fe 0.693 0.186 0.971 Fe 0.122 0.029 0.186 Fe 0.336 0.971 0.814 Fe 0.418 0.612 0.048 Fe 0.078 0.388 0.952 Fe 0.534 0.048 0.388 Fe 0.970 0.952 0.612 Ni 0.385 0.604 0.669 Ni 0.657 0.396 0.331 Ni 0.946 0.669 0.396 Ni 0.012 0.331 0.604 P 0.808 0.663 0.756 P 0.227 0.337 0.244 P 0.436 0.756 0.337 P 0.529 0.244 0.663 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>8.346 8.346 8.346<abc><angles>107.100 110.921 110.419<angles><comp>Dy12 Co5 Sn1<comp><coord>Dy 0.472 0.184 0.288 Dy 0.104 0.816 0.288 Dy 0.896 0.184 0.712 Dy 0.528 0.816 0.712 Dy 0.304 0.686 0.990 Dy 0.304 0.314 0.617 Dy 0.696 0.314 0.010 Dy 0.696 0.686 0.383 Dy 0.196 0.984 0.788 Dy 0.804 0.016 0.212 Dy 0.196 0.408 0.212 Dy 0.804 0.592 0.788 Co 0.500 0.887 0.387 Co 0.500 0.113 0.613 Co 0.378 0.378 0.000 Co 0.622 0.622 0.000 Co 0.000 0.000 0.000 Sn 0.000 0.500 0.500 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>3.929 6.522 7.477<abc><angles>90.000 90.000 90.000<angles><comp>Nb4 Ge4 Ir4<comp><coord>Nb 0.750 0.526 0.821 Nb 0.250 0.974 0.321 Nb 0.750 0.026 0.679 Nb 0.250 0.474 0.179 Ge 0.250 0.241 0.877 Ge 0.250 0.741 0.623 Ge 0.750 0.759 0.123 Ge 0.750 0.259 0.377 Ir 0.250 0.856 0.939 Ir 0.250 0.356 0.561 Ir 0.750 0.644 0.439 Ir 0.750 0.144 0.061 <coord> |
<forme>-0.45<forme><bg>0.0<bg><abc>5.481 7.103 8.785<abc><angles>111.860 108.176 90.000<angles><comp>K1 Ba2 Fe6 As6<comp><coord>K 0.000 0.000 0.000 Ba 0.338 0.000 0.676 Ba 0.662 1.000 0.324 Fe 0.083 0.499 0.666 Fe 0.417 0.501 0.334 Fe 0.750 0.500 0.000 Fe 0.917 0.501 0.334 Fe 0.250 0.500 0.000 Fe 0.583 0.499 0.666 As 0.782 0.693 0.564 As 0.117 0.696 0.234 As 0.448 0.695 0.896 As 0.218 0.307 0.436 As 0.552 0.305 0.104 As 0.883 0.304 0.766 <coord> |
<forme>-0.63<forme><bg>0.0<bg><abc>4.358 5.374 5.374<abc><angles>120.000 90.000 90.000<angles><comp>Ce1 Cu1 Pt4<comp><coord>Ce 0.000 0.000 0.000 Cu 0.000 0.667 0.333 Pt 0.000 0.333 0.667 Pt 0.500 0.996 0.498 Pt 0.500 0.502 0.004 Pt 0.500 0.502 0.498 <coord> |
<forme>-3.66<forme><bg>5.31<bg><abc>5.565 5.565 5.565<abc><angles>106.939 106.939 114.664<angles><comp>Hf2 Si2 O8<comp><coord>Hf 0.000 0.000 0.000 Hf 0.750 0.250 0.500 Si 0.250 0.750 0.500 Si 0.500 0.500 0.000 O 0.682 0.497 0.815 O 0.247 0.932 0.315 O 0.616 0.932 0.685 O 0.682 0.866 0.185 O 0.503 0.318 0.185 O 0.068 0.753 0.685 O 0.068 0.384 0.315 O 0.134 0.318 0.815 <coord> |
<forme>-0.52<forme><bg>1.07<bg><abc>6.263 6.267 7.689<abc><angles>66.064 66.039 89.894<angles><comp>In2 Cu1 Te3 I1<comp><coord>In 0.277 0.746 0.473 In 0.005 0.019 0.017 Cu 0.471 0.481 0.011 Te 0.619 0.169 0.256 Te 0.106 0.588 0.252 Te 0.417 0.376 0.739 I 0.854 0.872 0.752 <coord> |
<forme>-0.64<forme><bg>0.0<bg><abc>4.064 4.136 7.637<abc><angles>105.711 105.432 90.000<angles><comp>Th2 Fe1 Si3<comp><coord>Th 0.752 0.252 0.504 Th 0.996 0.996 0.991 Fe 0.335 0.835 0.669 Si 0.412 0.412 0.824 Si 0.174 0.674 0.347 Si 0.582 0.582 0.164 <coord> |
<forme>-3.6<forme><bg>5.44<bg><abc>4.461 4.461 7.349<abc><angles>90.000 90.000 90.000<angles><comp>Ba2 Cl2 F2<comp><coord>Ba 0.000 0.500 0.794 Ba 0.500 0.000 0.206 Cl 0.500 0.000 0.647 Cl 0.000 0.500 0.353 F 0.000 0.000 0.000 F 0.500 0.500 0.000 <coord> |
<forme>-0.49<forme><bg>0.47<bg><abc>8.996 9.272 8.996<abc><angles>60.979 90.000 119.021<angles><comp>Tl8 Te6 Pb2<comp><coord>Tl 0.011 0.315 0.196 Tl 0.696 0.685 0.511 Tl 0.304 0.315 0.489 Tl 0.804 0.315 0.696 Tl 0.511 0.315 0.989 Tl 0.196 0.685 0.304 Tl 0.489 0.685 0.011 Tl 0.989 0.685 0.804 Te 0.164 1.000 0.336 Te 0.664 1.000 0.164 Te 0.750 0.500 0.250 Te 0.250 0.500 0.750 Te 0.336 0.000 0.836 Te 0.836 0.000 0.664 Pb 0.000 0.000 0.000 Pb 0.500 0.000 0.500 <coord> |
<forme>-0.62<forme><bg>0.92<bg><abc>4.376 7.520 12.718<abc><angles>98.047 90.000 106.916<angles><comp>Sn3 Sb1 Se2 I5<comp><coord>Sn 0.372 0.744 0.482 Sn 0.631 0.261 0.523 Sn 0.348 0.696 0.827 Sb 0.647 0.294 0.181 Se 0.238 0.476 0.616 Se 0.760 0.520 0.379 I 0.285 0.571 0.137 I 0.706 0.413 0.863 I 0.043 0.087 0.313 I 0.961 0.923 0.669 I 0.008 0.015 0.009 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>4.923 4.923 4.923<abc><angles>60.000 60.000 60.000<angles><comp>Sm1 Zn1 Ag2<comp><coord>Sm 0.500 0.500 0.500 Zn 0.000 0.000 0.000 Ag 0.250 0.250 0.250 Ag 0.750 0.750 0.750 <coord> |
<forme>-1.32<forme><bg>2.28<bg><abc>6.178 6.178 6.178<abc><angles>109.471 109.471 109.471<angles><comp>Li1 Ca4 B3 N6<comp><coord>Li 0.000 0.000 0.000 Ca 0.500 0.000 0.000 Ca 0.000 0.500 0.000 Ca 0.000 0.000 0.500 Ca 0.500 0.500 0.500 B 0.500 0.500 1.000 B 0.500 0.000 0.500 B 0.000 0.500 0.500 N 0.000 0.312 0.312 N 0.000 0.688 0.688 N 0.688 0.688 1.000 N 0.312 0.000 0.312 N 0.688 0.000 0.688 N 0.312 0.312 1.000 <coord> |
<forme>-0.52<forme><bg>0.0<bg><abc>4.539 4.539 4.539<abc><angles>60.000 60.000 60.000<angles><comp>Hf2 Fe1 Os1<comp><coord>Hf 0.250 0.250 0.250 Hf 0.750 0.750 0.750 Fe 0.000 0.000 0.000 Os 0.500 0.500 0.500 <coord> |
<forme>-1.37<forme><bg>1.18<bg><abc>7.998 7.998 7.998<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Ag1 Sb1 Br6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Ag 0.500 0.500 0.500 Sb 0.000 0.000 0.000 Br 0.249 0.751 0.249 Br 0.249 0.249 0.751 Br 0.751 0.249 0.751 Br 0.249 0.751 0.751 Br 0.751 0.249 0.249 Br 0.751 0.751 0.249 <coord> |
<forme>-0.02<forme><bg>0.0<bg><abc>4.351 5.425 5.425<abc><angles>75.539 66.359 66.359<angles><comp>Pu2 Cu4<comp><coord>Pu 0.549 0.701 0.201 Pu 0.451 0.299 0.799 Cu 0.163 0.895 0.779 Cu 0.837 0.105 0.221 Cu 0.163 0.279 0.395 Cu 0.837 0.721 0.605 <coord> |
<forme>-1.0<forme><bg>0.0<bg><abc>6.338 9.214 9.214<abc><angles>120.000 90.000 90.000<angles><comp>Sm10 Sb6 H2<comp><coord>Sm 0.750 0.253 0.000 Sm 0.250 0.253 0.253 Sm 0.750 0.000 0.253 Sm 0.250 0.000 0.747 Sm 0.250 0.747 1.000 Sm 0.750 0.747 0.747 Sm 0.500 0.667 0.333 Sm 1.000 0.333 0.667 Sm 0.500 0.333 0.667 Sm 1.000 0.667 0.333 Sb 0.250 0.614 0.614 Sb 0.750 0.614 0.000 Sb 0.750 0.000 0.614 Sb 0.250 0.000 0.386 Sb 0.250 0.386 0.000 Sb 0.750 0.386 0.386 H 0.500 0.000 0.000 H 0.000 0.000 0.000 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>5.537 7.622 10.847<abc><angles>69.703 89.489 89.600<angles><comp>Tl4 Fe6 Se8<comp><coord>Tl 0.007 0.749 0.746 Tl 0.500 0.500 0.000 Tl 0.993 0.251 0.254 Tl 0.500 0.000 0.500 Fe 0.250 0.002 0.997 Fe 0.750 0.998 0.003 Fe 0.749 0.744 0.257 Fe 0.252 0.499 0.500 Fe 0.748 0.501 0.500 Fe 0.251 0.256 0.743 Se 0.504 0.983 0.825 Se 0.999 0.272 0.921 Se 0.001 0.728 0.079 Se 0.496 0.017 0.175 Se 0.501 0.463 0.320 Se 0.002 0.786 0.428 Se 0.998 0.214 0.572 Se 0.499 0.537 0.680 <coord> |
<forme>-1.72<forme><bg>1.99<bg><abc>8.030 8.030 8.030<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Na1 In1 Br6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Na 0.500 0.500 0.500 In 0.000 0.000 0.000 Br 0.239 0.761 0.239 Br 0.239 0.239 0.761 Br 0.761 0.239 0.761 Br 0.239 0.761 0.761 Br 0.761 0.239 0.239 Br 0.761 0.761 0.239 <coord> |
<forme>-1.55<forme><bg>0.72<bg><abc>5.944 7.056 7.056<abc><angles>60.000 90.000 90.000<angles><comp>Rb2 Ni2 Cl6<comp><coord>Rb 0.750 0.667 0.667 Rb 0.250 0.333 0.333 Ni 0.500 0.000 0.000 Ni 0.000 0.000 0.000 Cl 0.250 0.310 0.845 Cl 0.750 0.155 0.690 Cl 0.750 0.155 0.155 Cl 0.250 0.845 0.845 Cl 0.750 0.690 0.155 Cl 0.250 0.845 0.310 <coord> |
<forme>-1.71<forme><bg>0.87<bg><abc>5.872 5.892 5.892<abc><angles>60.646 60.284 60.284<angles><comp>Li3 Fe2 Co2 O8<comp><coord>Li 0.000 0.000 0.500 Li 0.000 0.500 0.000 Li 1.000 0.500 0.500 Fe 0.500 0.000 0.500 Fe 0.500 0.500 0.000 Co 0.000 0.000 0.000 Co 0.500 0.000 0.000 O 0.243 0.777 0.215 O 0.238 0.771 0.771 O 0.757 0.785 0.223 O 0.732 0.755 0.755 O 0.268 0.245 0.245 O 0.243 0.215 0.777 O 0.762 0.229 0.229 O 0.757 0.223 0.785 <coord> |
<forme>-3.58<forme><bg>2.21<bg><abc>5.974 6.137 8.535<abc><angles>90.000 89.779 90.000<angles><comp>Sr4 Ca2 U2 O12<comp><coord>Sr 0.487 0.547 0.247 Sr 0.013 0.047 0.253 Sr 0.987 0.953 0.747 Sr 0.513 0.453 0.753 Ca 0.000 0.500 0.500 Ca 0.500 0.000 0.000 U 0.000 0.500 0.000 U 0.500 0.000 0.500 O 0.104 0.544 0.766 O 0.396 0.044 0.734 O 0.896 0.456 0.234 O 0.604 0.956 0.266 O 0.217 0.811 0.451 O 0.283 0.311 0.049 O 0.783 0.189 0.549 O 0.717 0.689 0.951 O 0.814 0.221 0.938 O 0.686 0.721 0.562 O 0.186 0.779 0.062 O 0.314 0.279 0.438 <coord> |
<forme>-0.14<forme><bg>0.0<bg><abc>6.329 6.957 9.450<abc><angles>90.000 90.000 90.000<angles><comp>Tb12 Co4<comp><coord>Tb 0.326 0.678 0.065 Tb 0.174 0.178 0.435 Tb 0.674 0.322 0.565 Tb 0.826 0.822 0.935 Tb 0.674 0.322 0.935 Tb 0.826 0.822 0.565 Tb 0.326 0.678 0.435 Tb 0.174 0.178 0.065 Tb 0.869 0.545 0.250 Tb 0.631 0.045 0.250 Tb 0.131 0.455 0.750 Tb 0.369 0.955 0.750 Co 0.050 0.894 0.250 Co 0.450 0.394 0.250 Co 0.950 0.106 0.750 Co 0.550 0.606 0.750 <coord> |
<forme>-1.45<forme><bg>0.0<bg><abc>5.841 5.841 5.977<abc><angles>60.750 60.750 60.000<angles><comp>Li2 Ni3 Sn1 O8<comp><coord>Li 0.121 0.121 0.638 Li 0.879 0.879 0.362 Ni 0.500 0.000 0.000 Ni 0.000 0.500 0.000 Ni 0.500 0.500 0.000 Sn 0.500 0.500 0.500 O 0.265 0.265 0.205 O 0.254 0.254 0.776 O 0.715 0.254 0.776 O 0.254 0.715 0.776 O 0.746 0.285 0.224 O 0.285 0.746 0.224 O 0.746 0.746 0.224 O 0.735 0.735 0.795 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>5.661 5.661 5.661<abc><angles>60.000 60.000 60.000<angles><comp>Ce1 Pr1 Al4<comp><coord>Ce 0.750 0.750 0.750 Pr 0.000 0.000 0.000 Al 0.375 0.874 0.375 Al 0.375 0.375 0.375 Al 0.375 0.375 0.874 Al 0.874 0.375 0.375 <coord> |
<forme>-0.57<forme><bg>0.37<bg><abc>8.621 8.621 8.621<abc><angles>109.471 109.471 109.471<angles><comp>Nd6 Cu6 Bi8<comp><coord>Nd 0.750 0.625 0.875 Nd 0.250 0.875 0.625 Nd 0.875 0.125 0.750 Nd 0.625 0.375 0.250 Nd 0.125 0.250 0.375 Nd 0.375 0.750 0.125 Cu 0.750 0.125 0.375 Cu 0.250 0.375 0.125 Cu 0.375 0.625 0.750 Cu 0.125 0.875 0.250 Cu 0.625 0.250 0.875 Cu 0.875 0.750 0.625 Bi 0.662 1.000 1.000 Bi 0.000 0.500 0.162 Bi 0.500 0.662 0.500 Bi 0.162 1.000 1.000 Bi 0.838 0.838 0.338 Bi 0.000 0.500 0.662 Bi 0.338 0.338 0.838 Bi 0.500 0.162 0.500 <coord> |
<forme>-0.2<forme><bg>0.0<bg><abc>4.131 4.131 4.131<abc><angles>60.000 60.000 60.000<angles><comp>Mn2 Al1 Re1<comp><coord>Mn 0.750 0.750 0.750 Mn 0.250 0.250 0.250 Al 0.500 0.500 0.500 Re 0.000 0.000 0.000 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>4.587 4.587 7.544<abc><angles>90.000 90.000 90.000<angles><comp>Ho1 In5 Co1<comp><coord>Ho 0.000 0.000 0.000 In 0.000 0.500 0.306 In 0.500 0.500 0.000 In 0.500 0.000 0.306 In 0.000 0.500 0.694 In 0.500 0.000 0.694 Co 0.000 0.000 0.500 <coord> |
<forme>-1.12<forme><bg>1.08<bg><abc>4.527 4.527 7.315<abc><angles>90.000 90.000 120.000<angles><comp>Y1 Ag1 Te2<comp><coord>Y 0.333 0.667 0.014 Ag 0.000 0.000 0.618 Te 0.000 0.000 0.235 Te 0.667 0.333 0.768 <coord> |
<forme>-1.84<forme><bg>2.0<bg><abc>6.345 8.004 8.004<abc><angles>120.000 90.000 90.000<angles><comp>Ba2 Pb6 O8<comp><coord>Ba 0.750 0.333 0.667 Ba 0.250 0.667 0.333 Pb 0.750 0.834 0.179 Pb 0.750 0.345 0.166 Pb 0.250 0.655 0.821 Pb 0.750 0.821 0.655 Pb 0.250 0.179 0.834 Pb 0.250 0.166 0.345 O 0.750 0.667 0.333 O 0.250 0.333 0.667 O 0.000 0.608 0.608 O 1.000 0.000 0.392 O 0.500 0.608 0.608 O 0.000 0.392 0.000 O 0.500 0.000 0.392 O 0.500 0.392 0.000 <coord> |
<forme>-0.07<forme><bg>0.0<bg><abc>3.777 3.777 4.677<abc><angles>113.818 113.818 90.000<angles><comp>Li1 Rh3<comp><coord>Li 0.000 0.000 0.000 Rh 0.750 0.250 0.500 Rh 0.250 0.750 0.500 Rh 0.500 0.500 0.000 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>4.917 4.917 4.917<abc><angles>90.000 90.000 90.000<angles><comp>Yb1 Pb3<comp><coord>Yb 0.000 0.000 0.000 Pb 0.500 0.500 0.000 Pb 0.500 0.000 0.500 Pb 0.000 0.500 0.500 <coord> |
<forme>-1.15<forme><bg>1.99<bg><abc>5.361 5.361 8.677<abc><angles>90.000 90.000 90.000<angles><comp>Cs2 Na2 Te2<comp><coord>Cs 0.500 0.000 0.658 Cs 0.000 0.500 0.342 Na 0.500 0.500 0.000 Na 0.000 0.000 0.000 Te 0.500 0.000 0.200 Te 0.000 0.500 0.800 <coord> |
<forme>-3.04<forme><bg>2.09<bg><abc>5.678 5.678 5.678<abc><angles>60.000 60.000 60.000<angles><comp>Fe1 O6 Sr2 Ta1<comp><coord>Fe 0.750 0.750 0.750 O 0.498 0.002 0.002 O 0.002 0.498 0.498 O 0.002 0.498 0.002 O 0.498 0.002 0.498 O 0.002 0.002 0.498 O 0.498 0.498 0.002 Sr 0.000 0.000 0.000 Sr 0.500 0.500 0.500 Ta 0.250 0.250 0.250 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>4.663 4.663 12.346<abc><angles>90.000 90.000 90.000<angles><comp>Ce2 In8 Co1<comp><coord>Ce 0.000 0.000 0.696 Ce 0.000 0.000 0.304 In 0.500 0.000 0.500 In 0.500 0.000 0.883 In 0.000 0.500 0.500 In 0.000 0.500 0.883 In 0.500 0.500 0.306 In 0.500 0.500 0.694 In 0.000 0.500 0.117 In 0.500 0.000 0.117 Co 0.000 0.000 0.000 <coord> |
<forme>0.07<forme><bg>0.0<bg><abc>4.532 4.532 6.167<abc><angles>111.557 111.557 90.000<angles><comp>Cd1 Sn3<comp><coord>Cd 0.000 0.000 0.000 Sn 0.750 0.250 0.500 Sn 0.250 0.750 0.500 Sn 0.500 0.500 0.000 <coord> |
<forme>-2.6<forme><bg>3.11<bg><abc>4.316 4.316 4.316<abc><angles>90.000 90.000 90.000<angles><comp>Mn1 Tl1 F3<comp><coord>Mn 0.000 0.000 0.000 Tl 0.500 0.500 0.500 F 0.500 0.000 0.000 F 0.000 0.500 0.000 F 0.000 0.000 0.500 <coord> |
<forme>-1.8<forme><bg>1.21<bg><abc>3.398 3.398 12.360<abc><angles>90.000 90.000 120.000<angles><comp>In2 Fe2 O6<comp><coord>In 0.000 0.000 0.500 In 0.000 0.000 0.000 Fe 0.667 0.333 0.250 Fe 0.333 0.667 0.750 O 0.000 0.000 0.250 O 0.000 0.000 0.750 O 0.333 0.667 0.586 O 0.667 0.333 0.086 O 0.333 0.667 0.914 O 0.667 0.333 0.414 <coord> |
<forme>-0.02<forme><bg>0.0<bg><abc>4.166 4.166 4.166<abc><angles>60.000 60.000 60.000<angles><comp>Fe3 Rh1<comp><coord>Fe 0.250 0.250 0.250 Fe 0.750 0.750 0.750 Fe 0.000 0.000 0.000 Rh 0.500 0.500 0.500 <coord> |
<forme>-1.47<forme><bg>0.84<bg><abc>7.288 7.564 9.494<abc><angles>108.455 90.000 90.000<angles><comp>Ba4 Ge2 Te4 Se4<comp><coord>Ba 0.750 0.238 0.060 Ba 0.750 0.214 0.551 Ba 0.250 0.786 0.449 Ba 0.250 0.762 0.940 Ge 0.750 0.789 0.703 Ge 0.250 0.211 0.297 Te 0.750 0.598 0.889 Te 0.750 0.621 0.418 Te 0.250 0.379 0.582 Te 0.250 0.402 0.111 Se 0.495 0.998 0.760 Se 0.995 0.002 0.240 Se 0.505 0.002 0.240 Se 0.005 0.998 0.760 <coord> |
<forme>0.0<forme><bg>0.0<bg><abc>6.418 6.418 6.418<abc><angles>82.956 82.956 82.956<angles><comp>Sm1 Er1 Fe17<comp><coord>Sm 0.658 0.658 0.658 Er 0.342 0.342 0.342 Fe 0.656 0.656 0.156 Fe 0.156 0.656 0.656 Fe 0.656 0.156 0.656 Fe 0.343 0.343 0.845 Fe 0.845 0.343 0.343 Fe 0.343 0.845 0.343 Fe 0.000 0.000 0.500 Fe 0.500 0.000 0.000 Fe 0.000 0.500 0.000 Fe 0.293 0.707 0.001 Fe 0.001 0.293 0.707 Fe 0.707 0.001 0.293 Fe 0.001 0.707 0.293 Fe 0.293 0.001 0.707 Fe 0.707 0.293 0.001 Fe 0.097 0.097 0.097 Fe 0.904 0.904 0.904 <coord> |
<forme>-3.2<forme><bg>3.22<bg><abc>5.553 5.553 5.728<abc><angles>61.003 61.003 60.000<angles><comp>Ca1 Mn1 F6<comp><coord>Ca 0.500 0.500 0.500 Mn 0.000 0.000 0.000 F 0.870 0.686 0.224 F 0.219 0.870 0.224 F 0.314 0.781 0.776 F 0.781 0.130 0.776 F 0.130 0.314 0.776 F 0.686 0.219 0.224 <coord> |
<forme>-2.53<forme><bg>0.0<bg><abc>4.673 4.777 9.787<abc><angles>90.000 89.995 90.000<angles><comp>Mn6 O4 F8<comp><coord>Mn 0.998 0.961 0.008 Mn 0.998 0.961 0.659 Mn 0.030 0.003 0.333 Mn 0.498 0.539 0.159 Mn 0.530 0.497 0.833 Mn 0.498 0.539 0.508 O 0.195 0.811 0.504 O 0.195 0.810 0.163 O 0.695 0.689 0.004 O 0.695 0.690 0.663 F 0.191 0.773 0.833 F 0.691 0.727 0.333 F 0.289 0.274 0.994 F 0.289 0.274 0.672 F 0.315 0.346 0.333 F 0.815 0.154 0.833 F 0.789 0.226 0.494 F 0.789 0.226 0.172 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>4.038 4.038 4.038<abc><angles>60.000 60.000 60.000<angles><comp>Mg1 Co2 Si1<comp><coord>Mg 0.500 0.500 0.500 Co 0.250 0.250 0.250 Co 0.750 0.750 0.750 Si 0.000 0.000 0.000 <coord> |
<forme>-0.51<forme><bg>0.0<bg><abc>4.183 4.183 4.183<abc><angles>90.000 90.000 90.000<angles><comp>Dy1 Rh3 C1<comp><coord>Dy 0.000 0.000 0.000 Rh 0.000 0.500 0.500 Rh 0.500 0.500 0.000 Rh 0.500 0.000 0.500 C 0.500 0.500 0.500 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>7.732 7.732 9.059<abc><angles>115.262 115.262 90.000<angles><comp>Eu10 Si6 H2<comp><coord>Eu 0.500 0.500 0.000 Eu 0.000 0.000 0.000 Eu 0.523 0.679 0.703 Eu 0.179 0.023 0.703 Eu 0.023 0.523 0.703 Eu 0.679 0.179 0.703 Eu 0.477 0.321 0.297 Eu 0.821 0.977 0.297 Eu 0.977 0.477 0.297 Eu 0.321 0.821 0.297 Si 0.250 0.250 0.500 Si 0.750 0.750 0.500 Si 0.890 0.610 0.000 Si 0.110 0.390 1.000 Si 0.390 0.890 1.000 Si 0.610 0.110 1.000 H 0.250 0.750 0.500 H 0.750 0.250 0.500 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>5.377 5.377 5.377<abc><angles>60.000 60.000 60.000<angles><comp>Sm1 Dy1 In2<comp><coord>Sm 0.500 0.500 0.500 Dy 0.000 0.000 0.000 In 0.250 0.250 0.250 In 0.750 0.750 0.750 <coord> |
<forme>-0.54<forme><bg>0.22<bg><abc>3.454 3.454 39.357<abc><angles>90.000 90.000 120.000<angles><comp>Te6 Mo1 W3 S2<comp><coord>Te 0.000 0.000 0.295 Te 0.667 0.333 0.953 Te 0.667 0.333 0.578 Te 0.667 0.333 0.859 Te 0.667 0.333 0.483 Te 0.000 0.000 0.390 Mo 0.000 0.000 0.906 W 0.000 0.000 0.530 W 0.667 0.333 0.718 W 0.667 0.333 0.342 S 0.000 0.000 0.680 S 0.000 0.000 0.756 <coord> |
<forme>-0.51<forme><bg>0.0<bg><abc>5.496 6.945 6.976<abc><angles>116.082 113.201 90.000<angles><comp>Tl2 Fe2 Se4<comp><coord>Tl 0.813 0.361 0.627 Tl 0.187 0.639 0.373 Fe 0.249 0.000 0.000 Fe 0.751 0.000 0.000 Se 0.536 0.293 0.071 Se 0.464 0.707 0.929 Se 0.165 0.088 0.329 Se 0.835 0.912 0.671 <coord> |
<forme>-2.7<forme><bg>4.05<bg><abc>4.843 7.582 7.884<abc><angles>106.185 102.145 90.463<angles><comp>Sb2 Pb2 F14<comp><coord>Sb 0.354 0.185 0.284 Sb 0.646 0.815 0.716 Pb 0.834 0.644 0.195 Pb 0.166 0.356 0.805 F 0.722 0.433 0.912 F 0.278 0.567 0.088 F 0.060 0.054 0.337 F 0.940 0.946 0.663 F 0.491 0.955 0.177 F 0.509 0.045 0.823 F 0.582 0.202 0.520 F 0.418 0.798 0.480 F 0.649 0.318 0.231 F 0.351 0.682 0.769 F 0.206 0.414 0.393 F 0.794 0.586 0.607 F 0.124 0.186 0.052 F 0.876 0.814 0.948 <coord> |
<forme>-0.16<forme><bg>0.0<bg><abc>4.615 4.615 4.615<abc><angles>60.000 60.000 60.000<angles><comp>Pm1 Zn1 Cu2<comp><coord>Pm 0.750 0.750 0.750 Zn 0.250 0.250 0.250 Cu 0.500 0.500 0.500 Cu 0.000 0.000 0.000 <coord> |
<forme>-3.13<forme><bg>1.58<bg><abc>5.256 5.447 7.610<abc><angles>87.004 89.980 89.363<angles><comp>V4 O1 F11<comp><coord>V 0.499 0.500 0.500 V 0.521 0.485 0.996 V 0.000 1.000 0.500 V 0.996 0.004 0.999 O 0.774 0.296 0.961 F 0.903 0.991 0.251 F 0.806 0.696 0.550 F 0.703 0.793 0.947 F 0.694 0.196 0.553 F 0.595 0.502 0.250 F 0.399 0.504 0.751 F 0.308 0.805 0.449 F 0.290 0.212 0.052 F 0.218 0.706 0.041 F 0.194 0.303 0.450 F 0.099 0.006 0.750 <coord> |
<forme>-0.72<forme><bg>1.02<bg><abc>4.100 4.425 11.702<abc><angles>90.000 90.000 90.000<angles><comp>Sn2 Pb2 S4<comp><coord>Sn 0.500 0.370 0.373 Sn 0.500 0.630 0.873 Pb 0.000 0.140 0.618 Pb 0.000 0.860 0.118 S 0.000 0.242 0.855 S 0.000 0.758 0.355 S 0.500 0.286 0.154 S 0.500 0.714 0.654 <coord> |
<forme>-0.97<forme><bg>0.0<bg><abc>6.247 6.247 6.247<abc><angles>90.000 90.000 90.000<angles><comp>Ag6 As2 O8<comp><coord>Ag 0.000 0.500 0.250 Ag 0.000 0.500 0.750 Ag 0.750 0.000 0.500 Ag 0.500 0.250 0.000 Ag 0.250 0.000 0.500 Ag 0.500 0.750 0.000 As 0.500 0.500 0.500 As 0.000 0.000 0.000 O 0.839 0.839 0.839 O 0.661 0.339 0.661 O 0.339 0.661 0.661 O 0.661 0.661 0.339 O 0.339 0.339 0.339 O 0.161 0.161 0.839 O 0.161 0.839 0.161 O 0.839 0.161 0.161 <coord> |
<forme>-1.03<forme><bg>0.0<bg><abc>3.320 5.939 8.898<abc><angles>90.000 90.000 106.233<angles><comp>Hf6 Al2 N2<comp><coord>Hf 0.372 0.744 0.543 Hf 0.628 0.256 0.457 Hf 0.372 0.744 0.957 Hf 0.628 0.256 0.043 Hf 0.043 0.086 0.750 Hf 0.957 0.914 0.250 Al 0.747 0.494 0.750 Al 0.253 0.506 0.250 N 0.000 0.000 0.500 N 0.000 0.000 0.000 <coord> |
<forme>-0.11<forme><bg>0.0<bg><abc>3.093 3.093 5.884<abc><angles>105.238 105.238 90.000<angles><comp>Zr1 Ti1 Cu1<comp><coord>Zr 0.335 0.335 0.671 Ti 0.650 0.650 0.300 Cu 0.015 0.015 0.030 <coord> |
<forme>-2.73<forme><bg>2.49<bg><abc>4.224 4.224 7.354<abc><angles>106.689 106.689 90.000<angles><comp>Ba2 Sn1 O4<comp><coord>Ba 0.646 0.646 0.291 Ba 0.354 0.354 0.709 Sn 0.000 0.000 0.000 O 0.844 0.844 0.689 O 0.156 0.156 0.311 O 0.000 0.500 0.000 O 0.500 0.000 0.000 <coord> |
<forme>-1.58<forme><bg>0.22<bg><abc>3.902 3.918 17.459<abc><angles>90.000 90.000 90.000<angles><comp>Ho4 As4 Se4<comp><coord>Ho 0.750 0.731 0.639 Ho 0.250 0.269 0.361 Ho 0.750 0.769 0.139 Ho 0.250 0.231 0.861 As 0.250 0.716 0.998 As 0.750 0.284 0.002 As 0.250 0.784 0.498 As 0.750 0.216 0.502 Se 0.750 0.732 0.812 Se 0.250 0.268 0.188 Se 0.750 0.768 0.312 Se 0.250 0.232 0.688 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>5.397 5.397 5.397<abc><angles>60.000 60.000 60.000<angles><comp>Sm1 Er1 Tl2<comp><coord>Sm 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>-0.5<forme><bg>0.0<bg><abc>2.944 4.523 5.709<abc><angles>113.335 104.944 90.000<angles><comp>Cu1 Ag2 O2<comp><coord>Cu 0.000 0.000 0.000 Ag 0.351 0.351 0.702 Ag 0.649 0.649 0.298 O 0.630 0.130 0.260 O 0.370 0.870 0.740 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.537 6.726 10.122<abc><angles>90.000 90.000 90.000<angles><comp>Ce4 Zn12<comp><coord>Ce 0.250 0.280 0.655 Ce 0.250 0.780 0.845 Ce 0.750 0.720 0.345 Ce 0.750 0.220 0.155 Zn 0.250 0.537 0.110 Zn 0.250 0.037 0.390 Zn 0.750 0.463 0.890 Zn 0.750 0.963 0.610 Zn 0.250 0.918 0.146 Zn 0.250 0.418 0.354 Zn 0.750 0.082 0.854 Zn 0.750 0.582 0.646 Zn 0.250 0.220 0.956 Zn 0.250 0.720 0.544 Zn 0.750 0.780 0.044 Zn 0.750 0.280 0.456 <coord> |
<forme>-1.2<forme><bg>0.0<bg><abc>6.833 6.833 6.834<abc><angles>90.466 119.630 119.825<angles><comp>Ti2 Cr2 S8<comp><coord>Ti 1.000 0.000 0.500 Ti 0.500 0.000 0.000 Cr 0.000 0.500 0.500 Cr 0.500 1.000 0.500 S 0.500 0.247 0.747 S 1.000 0.253 0.253 S 0.988 0.251 0.739 S 0.512 0.251 0.263 S 0.012 0.749 0.261 S 0.488 0.749 0.737 S 0.500 0.753 0.253 S 0.000 0.747 0.747 <coord> |
<forme>-1.44<forme><bg>0.99<bg><abc>7.161 7.375 8.764<abc><angles>90.000 90.000 90.000<angles><comp>Rb10 Fe2 O8<comp><coord>Rb 0.922 0.061 0.311 Rb 0.922 0.061 0.689 Rb 0.746 0.624 0.702 Rb 0.746 0.624 0.298 Rb 0.752 0.311 0.000 Rb 0.422 0.939 0.811 Rb 0.422 0.939 0.189 Rb 0.246 0.376 0.798 Rb 0.246 0.376 0.202 Rb 0.252 0.689 0.500 Fe 0.002 0.821 0.000 Fe 0.502 0.179 0.500 O 0.734 0.785 0.000 O 0.573 0.919 0.500 O 0.597 0.280 0.308 O 0.597 0.280 0.692 O 0.234 0.215 0.500 O 0.073 0.081 0.000 O 0.097 0.720 0.808 O 0.097 0.720 0.192 <coord> |
<forme>-1.63<forme><bg>2.34<bg><abc>4.602 4.602 4.602<abc><angles>90.000 90.000 90.000<angles><comp>Na3 Br1 O1<comp><coord>Na 0.000 0.500 0.500 Na 0.500 0.000 0.500 Na 0.500 0.500 0.000 Br 0.000 0.000 0.000 O 0.500 0.500 0.500 <coord> |
<forme>-2.07<forme><bg>0.0<bg><abc>5.467 5.467 5.941<abc><angles>62.603 62.603 60.000<angles><comp>Li2 Ag2 F6<comp><coord>Li 0.800 0.800 0.599 Li 0.300 0.300 0.099 Ag 0.513 0.513 0.461 Ag 0.013 0.013 0.961 F 0.595 0.224 0.244 F 0.724 0.095 0.744 F 0.095 0.437 0.744 F 0.224 0.937 0.244 F 0.937 0.595 0.244 F 0.437 0.724 0.744 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>4.561 7.728 8.678<abc><angles>90.000 90.000 90.000<angles><comp>Sr4 In4 Pd4<comp><coord>Sr 0.250 0.029 0.321 Sr 0.250 0.529 0.179 Sr 0.750 0.971 0.679 Sr 0.750 0.471 0.821 In 0.250 0.146 0.935 In 0.250 0.646 0.565 In 0.750 0.854 0.065 In 0.750 0.354 0.435 Pd 0.250 0.279 0.622 Pd 0.250 0.779 0.878 Pd 0.750 0.721 0.378 Pd 0.750 0.221 0.122 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>4.033 4.033 6.188<abc><angles>109.019 109.019 90.000<angles><comp>Sr1 Co2 Ge2<comp><coord>Sr 0.000 0.000 0.000 Co 0.750 0.250 0.500 Co 0.250 0.750 0.500 Ge 0.641 0.641 0.282 Ge 0.359 0.359 0.718 <coord> |
<forme>-0.9<forme><bg>0.0<bg><abc>8.461 8.461 8.461<abc><angles>60.000 60.000 60.000<angles><comp>K2 Hg1 As1 I6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 Hg 0.500 0.500 0.500 As 0.000 0.000 0.000 I 0.242 0.758 0.242 I 0.242 0.242 0.758 I 0.758 0.242 0.758 I 0.242 0.758 0.758 I 0.758 0.242 0.242 I 0.758 0.758 0.242 <coord> |
<forme>-0.36<forme><bg>0.0<bg><abc>3.216 5.784 6.740<abc><angles>90.000 90.000 90.000<angles><comp>Fe4 B4 W4<comp><coord>Fe 0.750 0.857 0.557 Fe 0.750 0.357 0.943 Fe 0.250 0.143 0.443 Fe 0.250 0.643 0.057 B 0.750 0.733 0.867 B 0.750 0.233 0.633 B 0.250 0.267 0.133 B 0.250 0.767 0.367 W 0.750 0.970 0.176 W 0.750 0.470 0.324 W 0.250 0.030 0.824 W 0.250 0.530 0.676 <coord> |
<forme>-0.58<forme><bg>0.0<bg><abc>4.310 4.310 5.768<abc><angles>111.939 111.939 90.000<angles><comp>Ce1 Co1 Ge3<comp><coord>Ce 0.666 0.666 0.332 Co 0.995 0.995 0.990 Ge 0.404 0.904 0.808 Ge 0.228 0.228 0.457 Ge 0.904 0.404 0.808 <coord> |
<forme>-2.97<forme><bg>3.07<bg><abc>5.471 5.471 5.471<abc><angles>60.000 60.000 60.000<angles><comp>Li1 V1 F6<comp><coord>Li 0.000 0.000 0.000 V 0.500 0.500 0.500 F 0.266 0.734 0.734 F 0.266 0.266 0.734 F 0.266 0.734 0.266 F 0.734 0.266 0.266 F 0.734 0.266 0.734 F 0.734 0.734 0.266 <coord> |
<forme>-1.21<forme><bg>0.0<bg><abc>7.548 7.548 7.548<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 S1 Br1 Cl6<comp><coord>Rb 0.750 0.750 0.750 Rb 0.250 0.250 0.250 S 0.000 0.000 0.000 Br 0.500 0.500 0.500 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 Cl 0.219 0.219 0.781 Cl 0.219 0.781 0.219 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>4.396 4.396 4.396<abc><angles>60.000 60.000 60.000<angles><comp>Nb1 Ga1 Ru2<comp><coord>Nb 0.000 0.000 0.000 Ga 0.500 0.500 0.500 Ru 0.250 0.250 0.250 Ru 0.750 0.750 0.750 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>4.591 8.802 9.254<abc><angles>90.000 90.000 105.116<angles><comp>La4 Zn10 Pb2<comp><coord>La 0.792 0.584 0.250 La 0.208 0.416 0.750 La 0.000 0.000 0.500 La 0.000 0.000 0.000 Zn 0.186 0.372 0.393 Zn 0.814 0.628 0.607 Zn 0.186 0.372 0.107 Zn 0.814 0.628 0.893 Zn 0.342 0.684 0.488 Zn 0.658 0.316 0.512 Zn 0.342 0.684 0.012 Zn 0.658 0.316 0.988 Zn 0.606 0.212 0.250 Zn 0.394 0.788 0.750 Pb 0.444 0.889 0.250 Pb 0.556 0.111 0.750 <coord> |
<forme>-0.04<forme><bg>0.0<bg><abc>4.880 6.454 6.454<abc><angles>120.000 90.000 90.000<angles><comp>Zr2 Hg6<comp><coord>Zr 0.250 0.667 0.333 Zr 0.750 0.333 0.667 Hg 0.750 0.831 0.169 Hg 0.750 0.338 0.169 Hg 0.750 0.831 0.662 Hg 0.250 0.169 0.831 Hg 0.250 0.662 0.831 Hg 0.250 0.169 0.338 <coord> |
<forme>-0.27<forme><bg>0.0<bg><abc>4.228 4.228 8.192<abc><angles>90.000 90.000 120.000<angles><comp>Li4 Zn2 Si2<comp><coord>Li 0.667 0.333 0.917 Li 0.667 0.333 0.583 Li 0.333 0.667 0.417 Li 0.333 0.667 0.083 Zn 0.000 0.000 0.750 Zn 0.000 0.000 0.250 Si 0.333 0.667 0.750 Si 0.667 0.333 0.250 <coord> |
<forme>-1.45<forme><bg>0.0<bg><abc>3.805 6.778 11.099<abc><angles>90.000 90.000 90.000<angles><comp>U4 Te2 Se2 S4<comp><coord>U 0.750 0.184 0.670 U 0.750 0.684 0.830 U 0.250 0.794 0.345 U 0.250 0.294 0.155 Te 0.250 0.246 0.459 Te 0.250 0.746 0.041 Se 0.750 0.787 0.539 Se 0.750 0.287 0.961 S 0.750 0.029 0.239 S 0.750 0.529 0.261 S 0.250 0.960 0.769 S 0.250 0.460 0.731 <coord> |
<forme>-2.77<forme><bg>0.0<bg><abc>5.037 5.037 5.037<abc><angles>98.187 98.187 98.187<angles><comp>Ba1 Ir1 F6<comp><coord>Ba 0.500 0.500 0.500 Ir 0.000 0.000 0.000 F 0.698 0.740 0.070 F 0.302 0.260 0.930 F 0.260 0.930 0.302 F 0.930 0.302 0.260 F 0.740 0.070 0.698 F 0.070 0.698 0.740 <coord> |
<forme>-2.06<forme><bg>4.01<bg><abc>8.184 8.184 8.184<abc><angles>60.000 60.000 60.000<angles><comp>K2 Na1 Pr1 Br6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 Na 0.500 0.500 0.500 Pr 0.000 0.000 0.000 Br 0.250 0.750 0.250 Br 0.250 0.250 0.750 Br 0.750 0.250 0.750 Br 0.250 0.750 0.750 Br 0.750 0.250 0.250 Br 0.750 0.750 0.250 <coord> |
<forme>-0.6<forme><bg>0.0<bg><abc>4.108 8.146 8.146<abc><angles>120.000 90.000 90.000<angles><comp>Er6 Fe1 Sb2<comp><coord>Er 0.500 0.764 0.764 Er 0.500 0.000 0.236 Er 0.500 0.236 0.000 Er 0.000 0.393 0.393 Er 1.000 0.000 0.607 Er 0.000 0.607 0.000 Fe 0.000 0.000 0.000 Sb 0.500 0.667 0.333 Sb 0.500 0.333 0.667 <coord> |
<forme>-0.52<forme><bg>0.0<bg><abc>4.438 4.444 4.452<abc><angles>89.859 90.000 90.000<angles><comp>Fe2 Co2 Si4<comp><coord>Fe 0.359 0.858 0.386 Fe 0.859 0.142 0.614 Co 0.639 0.637 0.894 Co 0.139 0.363 0.106 Si 0.343 0.342 0.588 Si 0.843 0.658 0.412 Si 0.659 0.156 0.095 Si 0.159 0.844 0.905 <coord> |
<forme>-0.36<forme><bg>0.0<bg><abc>7.470 7.470 7.470<abc><angles>109.471 109.471 109.471<angles><comp>Ce1 As12 Os4<comp><coord>Ce 0.000 0.000 0.000 As 0.149 0.346 0.496 As 0.851 0.654 0.504 As 0.149 0.654 0.803 As 0.851 0.346 0.197 As 0.654 0.504 0.851 As 0.346 0.496 0.149 As 0.346 0.197 0.851 As 0.654 0.803 0.149 As 0.803 0.149 0.654 As 0.197 0.851 0.346 As 0.496 0.149 0.346 As 0.504 0.851 0.654 Os 0.500 0.500 0.500 Os 0.000 0.000 0.500 Os 0.000 0.500 0.000 Os 0.500 0.000 0.000 <coord> |
<forme>0.0<forme><bg>0.0<bg><abc>2.934 2.934 4.657<abc><angles>90.000 90.000 120.000<angles><comp>Ti2<comp><coord>Ti 0.667 0.333 0.750 Ti 0.333 0.667 0.250 <coord> |
<forme>-0.7<forme><bg>0.0<bg><abc>6.596 9.616 9.616<abc><angles>120.000 90.000 90.000<angles><comp>Nd10 Cu2 Bi6<comp><coord>Nd 1.000 0.333 0.667 Nd 1.000 0.667 0.333 Nd 0.500 0.667 0.333 Nd 0.500 0.333 0.667 Nd 0.250 0.258 0.000 Nd 0.250 0.742 0.742 Nd 0.250 0.000 0.258 Nd 0.750 0.742 1.000 Nd 0.750 0.258 0.258 Nd 0.750 0.000 0.742 Cu 0.000 0.000 0.000 Cu 0.500 0.000 0.000 Bi 0.250 0.614 0.000 Bi 0.250 0.386 0.386 Bi 0.250 0.000 0.614 Bi 0.750 0.386 0.000 Bi 0.750 0.614 0.614 Bi 0.750 0.000 0.386 <coord> |
<forme>-1.62<forme><bg>3.55<bg><abc>8.474 8.474 8.474<abc><angles>60.000 60.000 60.000<angles><comp>K3 Bi1 Br6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 K 0.500 0.500 0.500 Bi 0.000 0.000 0.000 Br 0.239 0.761 0.239 Br 0.239 0.239 0.761 Br 0.761 0.239 0.761 Br 0.239 0.761 0.761 Br 0.761 0.239 0.239 Br 0.761 0.761 0.239 <coord> |
<forme>-1.92<forme><bg>0.37<bg><abc>4.075 9.180 15.179<abc><angles>90.000 90.000 90.000<angles><comp>Ba4 Zr4 Se12<comp><coord>Ba 0.750 0.566 0.175 Ba 0.250 0.434 0.825 Ba 0.750 0.066 0.325 Ba 0.250 0.934 0.675 Zr 0.250 0.664 0.441 Zr 0.750 0.336 0.559 Zr 0.250 0.164 0.059 Zr 0.750 0.836 0.941 Se 0.750 0.832 0.505 Se 0.250 0.168 0.495 Se 0.750 0.332 0.995 Se 0.250 0.668 0.005 Se 0.250 0.524 0.605 Se 0.750 0.476 0.395 Se 0.250 0.024 0.895 Se 0.750 0.976 0.105 Se 0.250 0.786 0.287 Se 0.750 0.214 0.713 Se 0.250 0.286 0.213 Se 0.750 0.714 0.787 <coord> |
<forme>-0.81<forme><bg>0.0<bg><abc>4.813 4.813 4.813<abc><angles>60.000 60.000 60.000<angles><comp>Y1 Cd1 Pt2<comp><coord>Y 0.000 0.000 0.000 Cd 0.500 0.500 0.500 Pt 0.750 0.750 0.750 Pt 0.250 0.250 0.250 <coord> |
<forme>-2.0<forme><bg>0.0<bg><abc>5.982 5.982 6.002<abc><angles>91.590 119.060 118.995<angles><comp>Li3 Mn4 Ni1 O8<comp><coord>Li 0.500 0.500 0.500 Li 0.500 0.000 0.500 Li 0.000 0.000 0.500 Mn 0.000 0.500 0.500 Mn 0.000 0.000 0.000 Mn 1.000 0.500 1.000 Mn 0.500 0.000 0.000 Ni 0.500 0.500 0.000 O 0.459 0.749 0.209 O 0.497 0.239 0.233 O 0.994 0.736 0.233 O 0.022 0.254 0.276 O 0.978 0.746 0.724 O 0.006 0.264 0.767 O 0.503 0.761 0.767 O 0.541 0.251 0.791 <coord> |
<forme>-0.35<forme><bg>0.0<bg><abc>6.754 9.021 9.021<abc><angles>120.000 90.000 90.000<angles><comp>Y10 Tl6<comp><coord>Y 0.000 0.333 0.667 Y 0.000 0.667 0.333 Y 0.500 0.667 0.333 Y 0.500 0.333 0.667 Y 0.250 0.236 0.000 Y 0.250 0.764 0.764 Y 0.250 0.000 0.236 Y 0.750 0.764 0.000 Y 0.750 0.236 0.236 Y 0.750 0.000 0.764 Tl 0.250 0.596 0.000 Tl 0.250 0.404 0.404 Tl 0.250 0.000 0.596 Tl 0.750 0.404 0.000 Tl 0.750 0.596 0.596 Tl 0.750 0.000 0.404 <coord> |
<forme>-1.05<forme><bg>0.0<bg><abc>8.756 8.756 8.756<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Hg1 Sb1 I6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Hg 0.500 0.500 0.500 Sb 0.000 0.000 0.000 I 0.246 0.754 0.246 I 0.246 0.246 0.754 I 0.754 0.246 0.754 I 0.246 0.754 0.754 I 0.754 0.246 0.246 I 0.754 0.754 0.246 <coord> |
<forme>-1.66<forme><bg>1.09<bg><abc>3.871 7.021 7.021<abc><angles>108.555 90.000 90.000<angles><comp>Ca2 Sn1 S4<comp><coord>Ca 0.500 0.000 0.500 Ca 0.500 0.500 0.000 Sn 0.000 0.000 0.000 S 0.000 0.770 0.230 S 0.000 0.230 0.770 S 0.500 0.218 0.218 S 0.500 0.782 0.782 <coord> |
<forme>-2.42<forme><bg>1.07<bg><abc>3.981 11.060 11.273<abc><angles>108.961 90.000 90.000<angles><comp>La2 Tm6 S12<comp><coord>La 0.250 0.449 0.805 La 0.750 0.551 0.195 Tm 0.250 0.821 1.000 Tm 0.750 0.179 0.000 Tm 0.250 0.056 0.666 Tm 0.750 0.944 0.334 Tm 0.250 0.339 0.412 Tm 0.750 0.661 0.588 S 0.250 0.022 0.888 S 0.750 0.978 0.112 S 0.250 0.698 0.749 S 0.750 0.302 0.251 S 0.250 0.107 0.443 S 0.750 0.893 0.557 S 0.250 0.581 0.408 S 0.750 0.419 0.592 S 0.250 0.770 0.231 S 0.750 0.230 0.769 S 0.250 0.378 0.036 S 0.750 0.622 0.964 <coord> |
<forme>-0.13<forme><bg>0.0<bg><abc>4.187 4.187 4.187<abc><angles>60.000 60.000 60.000<angles><comp>Mn1 Al1 Cu2<comp><coord>Mn 0.500 0.500 0.500 Al 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750 <coord> |
<forme>-0.48<forme><bg>0.0<bg><abc>5.315 5.315 5.315<abc><angles>60.000 60.000 60.000<angles><comp>Eu2 Ag1 Ge1<comp><coord>Eu 0.750 0.750 0.750 Eu 0.250 0.250 0.250 Ag 0.500 0.500 0.500 Ge 0.000 0.000 0.000 <coord> |
<forme>-1.41<forme><bg>0.0<bg><abc>4.272 4.272 7.237<abc><angles>90.000 90.000 120.000<angles><comp>Tm2 Te2<comp><coord>Tm 0.000 0.000 0.500 Tm 0.000 0.000 0.000 Te 0.667 0.333 0.750 Te 0.333 0.667 0.250 <coord> |
<forme>-0.54<forme><bg>0.19<bg><abc>4.609 4.609 5.398<abc><angles>90.000 90.000 120.000<angles><comp>Ba1 Ga1 Sn1 H1<comp><coord>Ba 0.667 0.333 1.000 Ga 0.000 0.000 0.413 Sn 0.333 0.667 0.541 H 0.000 0.000 0.090 <coord> |
<forme>-1.05<forme><bg>1.1<bg><abc>8.583 8.583 8.583<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Ag1 Sb1 I6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Ag 0.500 0.500 0.500 Sb 0.000 0.000 0.000 I 0.251 0.749 0.251 I 0.251 0.251 0.749 I 0.749 0.251 0.749 I 0.251 0.749 0.749 I 0.749 0.251 0.251 I 0.749 0.749 0.251 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.