text
stringlengths 140
560
|
|---|
<forme>-0.49<forme><bg>0.0<bg><abc>6.624 9.226 9.226<abc><angles>120.000 90.000 90.000<angles><comp>Dy10 Cu2 Pb6<comp><coord>Dy 0.750 0.742 0.742 Dy 0.250 0.258 0.258 Dy 0.750 0.000 0.258 Dy 0.250 0.000 0.742 Dy 0.750 0.258 0.000 Dy 0.250 0.742 0.000 Dy 0.000 0.667 0.333 Dy 0.000 0.333 0.667 Dy 0.500 0.333 0.667 Dy 0.500 0.667 0.333 Cu 0.000 0.000 0.000 Cu 0.500 0.000 0.000 Pb 0.750 0.386 0.386 Pb 0.250 0.614 0.614 Pb 0.750 0.000 0.614 Pb 0.250 0.000 0.386 Pb 0.750 0.614 0.000 Pb 0.250 0.386 0.000 <coord>
|
<forme>-0.01<forme><bg>0.0<bg><abc>3.106 4.955 7.920<abc><angles>90.000 101.307 90.000<angles><comp>Mg4 Zn2<comp><coord>Mg 0.622 0.250 0.244 Mg 0.940 0.250 0.879 Mg 0.060 0.750 0.121 Mg 0.378 0.750 0.756 Zn 0.278 0.250 0.556 Zn 0.722 0.750 0.444 <coord>
|
<forme>-0.28<forme><bg>0.0<bg><abc>3.954 3.954 4.882<abc><angles>90.000 90.000 120.001<angles><comp>Ga1 Ni3 As1<comp><coord>Ga 0.667 0.333 0.250 Ni 1.000 1.000 0.505 Ni 1.000 1.000 0.995 Ni 0.333 0.667 0.250 As 0.333 0.667 0.750 <coord>
|
<forme>-1.61<forme><bg>0.0<bg><abc>5.253 5.265 10.505<abc><angles>76.107 76.204 60.389<angles><comp>Ag2 Pt2 F12<comp><coord>Ag 0.500 0.500 0.500 Ag 0.000 0.000 0.000 Pt 0.230 0.278 0.250 Pt 0.770 0.722 0.750 F 0.196 0.541 0.365 F 0.804 0.459 0.635 F 0.893 0.234 0.363 F 0.107 0.766 0.637 F 0.568 0.310 0.137 F 0.432 0.690 0.863 F 0.270 0.012 0.136 F 0.730 0.988 0.864 F 0.036 0.383 0.864 F 0.964 0.617 0.136 F 0.511 0.060 0.637 F 0.489 0.940 0.363 <coord>
|
<forme>-0.72<forme><bg>0.79<bg><abc>5.976 7.275 7.319<abc><angles>80.086 66.015 65.820<angles><comp>Zn1 In3 As1 Se4<comp><coord>Zn 0.987 0.004 0.998 In 0.397 0.395 0.808 In 0.612 0.603 0.193 In 0.803 0.800 0.601 As 0.426 0.716 0.904 Se 0.646 0.918 0.296 Se 0.870 0.104 0.695 Se 0.052 0.279 0.113 Se 0.257 0.480 0.491 <coord>
|
<forme>-2.65<forme><bg>4.77<bg><abc>6.050 6.050 8.016<abc><angles>90.000 90.000 120.000<angles><comp>Rb1 Lu1 W2 O8<comp><coord>Rb 0.000 0.000 0.000 Lu 0.000 0.000 0.500 W 0.667 0.333 0.734 W 0.333 0.667 0.266 O 0.832 0.665 0.663 O 0.168 0.335 0.337 O 0.832 0.168 0.663 O 0.168 0.832 0.337 O 0.335 0.168 0.663 O 0.665 0.832 0.337 O 0.667 0.333 0.955 O 0.333 0.667 0.045 <coord>
|
<forme>-1.04<forme><bg>4.69<bg><abc>6.744 6.749 6.749<abc><angles>91.057 90.000 90.000<angles><comp>Na4 Br2 Cl2 O12<comp><coord>Na 0.426 0.573 0.820 Na 0.926 0.427 0.180 Na 0.574 0.925 0.327 Na 0.074 0.075 0.673 Br 0.091 0.908 0.158 Br 0.591 0.092 0.842 Cl 0.916 0.582 0.668 Cl 0.416 0.418 0.332 O 0.990 0.103 0.040 O 0.896 0.788 0.255 O 0.212 0.008 0.354 O 0.490 0.897 0.960 O 0.396 0.212 0.745 O 0.712 0.992 0.646 O 0.001 0.410 0.552 O 0.090 0.696 0.756 O 0.803 0.498 0.840 O 0.501 0.590 0.448 O 0.590 0.304 0.244 O 0.303 0.502 0.160 <coord>
|
<forme>0.01<forme><bg>0.0<bg><abc>5.526 6.980 6.980<abc><angles>60.000 90.000 90.000<angles><comp>Ho6 Mg2<comp><coord>Ho 0.750 0.661 0.170 Ho 0.750 0.170 0.170 Ho 0.750 0.170 0.661 Ho 0.250 0.830 0.339 Ho 0.250 0.830 0.830 Ho 0.250 0.339 0.830 Mg 0.750 0.667 0.667 Mg 0.250 0.333 0.333 <coord>
|
<forme>-0.53<forme><bg>1.08<bg><abc>5.975 6.400 7.822<abc><angles>65.853 90.000 90.000<angles><comp>K4 P4 Pd2<comp><coord>K 0.250 0.212 0.576 K 0.250 0.575 0.850 K 0.750 0.788 0.424 K 0.750 0.425 0.150 P 0.250 0.719 0.221 P 0.750 0.941 0.779 P 0.750 0.281 0.779 P 0.250 0.059 0.221 Pd 0.000 0.000 0.000 Pd 0.500 0.000 0.000 <coord>
|
<forme>-0.61<forme><bg>0.0<bg><abc>4.755 4.755 17.367<abc><angles>97.867 97.867 90.000<angles><comp>Eu4 Bi8<comp><coord>Eu 0.574 0.574 0.148 Eu 0.324 0.824 0.648 Eu 0.176 0.676 0.352 Eu 0.426 0.426 0.852 Bi 0.092 0.092 0.185 Bi 0.842 0.342 0.685 Bi 0.658 0.158 0.315 Bi 0.908 0.908 0.815 Bi 0.752 0.752 0.504 Bi 0.502 0.002 0.004 Bi 0.998 0.498 0.996 Bi 0.248 0.248 0.496 <coord>
|
<forme>-2.53<forme><bg>0.73<bg><abc>3.726 3.726 6.582<abc><angles>90.000 90.000 120.000<angles><comp>Gd2 C1 F2<comp><coord>Gd 0.667 0.333 0.789 Gd 0.333 0.667 0.211 C 0.000 0.000 0.000 F 0.667 0.333 0.382 F 0.333 0.667 0.618 <coord>
|
<forme>-0.71<forme><bg>0.52<bg><abc>6.143 6.143 6.143<abc><angles>90.000 90.000 90.000<angles><comp>Na1 Cl7<comp><coord>Na 0.000 0.000 0.000 Cl 0.500 0.500 0.500 Cl 0.000 0.167 0.500 Cl 0.000 0.833 0.500 Cl 0.500 0.000 0.167 Cl 0.500 0.000 0.833 Cl 0.167 0.500 0.000 Cl 0.833 0.500 0.000 <coord>
|
<forme>-2.81<forme><bg>2.93<bg><abc>6.267 6.549 6.550<abc><angles>80.312 61.723 62.686<angles><comp>Ca2 B5 Cl1 O10<comp><coord>Ca 0.990 0.048 1.000 Ca 0.671 0.451 0.520 B 0.346 0.128 0.517 B 0.691 0.911 0.668 B 0.101 0.966 0.447 B 0.495 0.984 0.113 B 0.126 0.577 0.565 Cl 0.150 0.505 0.062 O 0.905 0.429 0.121 O 0.320 0.357 0.548 O 0.550 0.041 0.270 O 0.084 0.147 0.567 O 0.430 0.972 0.685 O 0.681 0.966 0.886 O 0.862 0.649 0.614 O 0.832 0.028 0.482 O 0.268 0.952 0.187 O 0.226 0.738 0.531 <coord>
|
<forme>-0.1<forme><bg>0.29<bg><abc>4.701 5.434 6.133<abc><angles>90.000 90.000 90.000<angles><comp>Be4 B8 C8<comp><coord>Be 0.184 0.500 0.797 Be 0.184 0.500 0.203 Be 0.816 0.000 0.703 Be 0.816 0.000 0.297 B 0.479 0.000 0.500 B 0.992 0.748 0.500 B 0.499 0.000 0.000 B 0.521 0.500 0.000 B 0.992 0.252 0.500 B 0.008 0.248 0.000 B 0.501 0.500 0.500 B 0.008 0.752 0.000 C 0.340 0.257 0.000 C 0.340 0.743 0.000 C 0.660 0.757 0.500 C 0.166 0.500 0.500 C 0.834 0.000 0.000 C 0.855 0.500 0.000 C 0.660 0.243 0.500 C 0.145 0.000 0.500 <coord>
|
<forme>0.01<forme><bg>0.0<bg><abc>5.919 6.359 6.359<abc><angles>120.000 90.000 90.000<angles><comp>La5 Mg1<comp><coord>La 0.500 0.667 0.333 La 1.000 1.000 0.682 La 0.000 0.318 0.318 La 1.000 0.682 0.000 La 0.500 0.333 0.667 Mg 0.500 0.000 0.000 <coord>
|
<forme>-0.8<forme><bg>0.91<bg><abc>4.400 4.400 4.400<abc><angles>60.000 60.000 60.000<angles><comp>Pb1 Se1<comp><coord>Pb 0.500 0.500 0.500 Se 0.000 0.000 0.000 <coord>
|
<forme>-0.21<forme><bg>0.0<bg><abc>5.016 5.057 12.496<abc><angles>89.363 88.838 60.756<angles><comp>Mg6 Al4 Cu8<comp><coord>Mg 0.669 0.664 0.710 Mg 0.001 0.001 0.373 Mg 0.334 0.334 0.042 Mg 0.666 0.666 0.958 Mg 0.999 0.999 0.627 Mg 0.331 0.336 0.290 Al 0.500 0.500 0.500 Al 0.833 0.833 0.167 Al 0.167 0.167 0.833 Al 0.500 0.000 0.500 Cu 0.834 0.333 0.167 Cu 0.166 0.667 0.833 Cu 0.665 0.668 0.333 Cu 0.000 0.000 0.000 Cu 0.335 0.332 0.667 Cu 0.000 0.500 0.500 Cu 0.334 0.833 0.167 Cu 0.666 0.167 0.833 <coord>
|
<forme>-1.24<forme><bg>0.0<bg><abc>5.332 5.333 5.333<abc><angles>89.984 89.991 89.979<angles><comp>Cs1 Pd1 Br3<comp><coord>Cs 0.999 0.992 0.999 Pd 0.505 0.485 0.501 Br 0.503 0.488 0.001 Br 0.499 0.985 0.498 Br 0.004 0.490 0.501 <coord>
|
<forme>-2.37<forme><bg>1.23<bg><abc>5.454 5.454 6.447<abc><angles>115.020 115.020 90.000<angles><comp>Ca1 Cu2 F8<comp><coord>Ca 0.000 0.000 0.000 Cu 0.750 0.250 0.500 Cu 0.250 0.750 0.500 F 0.712 0.540 0.746 F 0.460 0.288 0.254 F 0.794 0.966 0.254 F 0.288 0.794 0.254 F 0.034 0.206 0.746 F 0.540 0.034 0.746 F 0.206 0.712 0.746 F 0.966 0.460 0.254 <coord>
|
<forme>-0.96<forme><bg>0.3<bg><abc>3.271 3.271 37.175<abc><angles>90.000 90.000 120.000<angles><comp>Te2 Mo2 W2 S6<comp><coord>Te 0.667 0.333 0.291 Te 0.667 0.333 0.394 Mo 0.667 0.333 0.906 Mo 0.333 0.667 0.342 W 0.667 0.333 0.530 W 0.333 0.667 0.718 S 0.667 0.333 0.677 S 0.333 0.667 0.947 S 0.333 0.667 0.572 S 0.333 0.667 0.865 S 0.333 0.667 0.489 S 0.667 0.333 0.760 <coord>
|
<forme>-0.25<forme><bg>0.0<bg><abc>4.037 4.037 4.037<abc><angles>60.000 60.000 60.000<angles><comp>Al1 Cr1 Co2<comp><coord>Al 0.000 0.000 0.000 Cr 0.500 0.500 0.500 Co 0.250 0.250 0.250 Co 0.750 0.750 0.750 <coord>
|
<forme>-0.68<forme><bg>1.87<bg><abc>5.238 5.238 6.481<abc><angles>66.164 66.164 60.000<angles><comp>Ag2 N2 O6<comp><coord>Ag 0.999 0.999 0.003 Ag 0.499 0.499 0.503 N 0.222 0.222 0.333 N 0.722 0.722 0.833 O 0.663 0.989 0.835 O 0.489 0.163 0.335 O 0.514 0.663 0.835 O 0.989 0.514 0.835 O 0.163 0.014 0.335 O 0.014 0.489 0.335 <coord>
|
<forme>-0.02<forme><bg>0.0<bg><abc>4.744 6.475 6.475<abc><angles>81.836 68.511 68.511<angles><comp>Tm1 Fe10 Mo2<comp><coord>Tm 0.000 0.000 0.000 Fe 0.500 0.783 0.217 Fe 0.500 0.217 0.783 Fe 0.721 0.779 0.779 Fe 0.279 0.221 0.221 Fe 1.000 0.000 0.500 Fe 0.500 0.000 0.500 Fe 0.500 0.500 0.000 Fe 0.000 0.500 0.000 Fe 0.000 0.359 0.641 Fe 0.000 0.641 0.359 Mo 0.643 0.357 0.357 Mo 0.357 0.643 0.643 <coord>
|
<forme>-0.46<forme><bg>0.0<bg><abc>3.621 3.621 14.273<abc><angles>90.000 90.000 90.000<angles><comp>Hf1 Al3 Ni12<comp><coord>Hf 0.000 0.000 0.000 Al 0.000 0.000 0.255 Al 0.000 0.000 0.500 Al 0.000 0.000 0.745 Ni 0.500 0.500 0.000 Ni 0.500 0.500 0.255 Ni 0.500 0.500 0.500 Ni 0.500 0.500 0.745 Ni 0.500 0.000 0.133 Ni 0.500 0.000 0.377 Ni 0.500 0.000 0.623 Ni 0.500 0.000 0.867 Ni 0.000 0.500 0.133 Ni 0.000 0.500 0.377 Ni 0.000 0.500 0.623 Ni 0.000 0.500 0.867 <coord>
|
<forme>-0.62<forme><bg>0.0<bg><abc>7.907 7.907 9.381<abc><angles>114.926 114.926 90.000<angles><comp>Eu10 Ge6<comp><coord>Eu 0.531 0.679 0.710 Eu 0.179 0.031 0.710 Eu 0.031 0.531 0.710 Eu 0.679 0.179 0.710 Eu 0.469 0.321 0.290 Eu 0.821 0.969 0.290 Eu 0.969 0.469 0.290 Eu 0.321 0.821 0.290 Eu 0.500 0.500 0.000 Eu 0.000 0.000 0.000 Ge 0.884 0.616 0.000 Ge 0.116 0.384 1.000 Ge 0.384 0.884 1.000 Ge 0.616 0.116 0.000 Ge 0.250 0.250 0.500 Ge 0.750 0.750 0.500 <coord>
|
<forme>-0.33<forme><bg>0.0<bg><abc>4.511 4.511 4.511<abc><angles>60.000 60.000 60.000<angles><comp>Ta1 In1 Ru2<comp><coord>Ta 0.000 0.000 0.000 In 0.500 0.500 0.500 Ru 0.750 0.750 0.750 Ru 0.250 0.250 0.250 <coord>
|
<forme>-2.92<forme><bg>3.39<bg><abc>5.243 5.243 9.330<abc><angles>90.000 90.000 120.000<angles><comp>Li2 V2 F12<comp><coord>Li 0.000 0.000 0.750 Li 0.000 0.000 0.250 V 0.667 0.333 0.750 V 0.333 0.667 0.250 F 0.941 0.630 0.860 F 0.689 0.630 0.640 F 0.941 0.311 0.640 F 0.689 0.059 0.860 F 0.370 0.311 0.860 F 0.630 0.941 0.360 F 0.370 0.059 0.640 F 0.630 0.689 0.140 F 0.311 0.941 0.140 F 0.059 0.689 0.360 F 0.311 0.370 0.360 F 0.059 0.370 0.140 <coord>
|
<forme>0.01<forme><bg>0.0<bg><abc>5.461 6.988 6.988<abc><angles>60.000 90.000 90.000<angles><comp>Tm6 Sc2<comp><coord>Tm 0.750 0.169 0.663 Tm 0.750 0.169 0.169 Tm 0.750 0.663 0.169 Tm 0.250 0.831 0.337 Tm 0.250 0.831 0.831 Tm 0.250 0.337 0.831 Sc 0.250 0.333 0.333 Sc 0.750 0.667 0.667 <coord>
|
<forme>-3.49<forme><bg>5.26<bg><abc>6.317 6.525 6.532<abc><angles>93.110 106.222 107.030<angles><comp>Sm4 B4 O12<comp><coord>Sm 0.558 0.187 0.278 Sm 0.442 0.813 0.722 Sm 0.047 0.266 0.833 Sm 0.953 0.734 0.167 B 0.983 0.760 0.719 B 0.017 0.240 0.281 B 0.480 0.274 0.766 B 0.520 0.726 0.234 O 0.426 0.461 0.750 O 0.574 0.539 0.250 O 0.910 0.355 0.132 O 0.090 0.645 0.868 O 0.045 0.776 0.535 O 0.955 0.224 0.465 O 0.849 0.869 0.785 O 0.151 0.131 0.215 O 0.384 0.797 0.338 O 0.616 0.203 0.662 O 0.372 0.128 0.886 O 0.628 0.872 0.114 <coord>
|
<forme>-2.48<forme><bg>0.0<bg><abc>4.720 4.720 9.243<abc><angles>90.000 90.000 90.000<angles><comp>Li4 Rh2 F12<comp><coord>Li 0.000 0.000 0.666 Li 0.500 0.500 0.166 Li 0.000 0.000 0.334 Li 0.500 0.500 0.834 Rh 0.500 0.500 0.500 Rh 0.000 0.000 0.000 F 0.305 0.305 0.341 F 0.805 0.195 0.159 F 0.709 0.709 0.000 F 0.209 0.791 0.500 F 0.291 0.291 0.000 F 0.791 0.209 0.500 F 0.805 0.195 0.841 F 0.305 0.305 0.659 F 0.195 0.805 0.159 F 0.695 0.695 0.341 F 0.195 0.805 0.841 F 0.695 0.695 0.659 <coord>
|
<forme>-2.42<forme><bg>3.89<bg><abc>3.856 3.856 8.308<abc><angles>90.000 90.000 120.000<angles><comp>Sm2 C1 N2 O2<comp><coord>Sm 0.333 0.667 0.179 Sm 0.667 0.333 0.821 C 0.000 0.000 0.500 N 0.000 0.000 0.649 N 0.000 0.000 0.351 O 0.333 0.667 0.897 O 0.667 0.333 0.103 <coord>
|
<forme>-2.21<forme><bg>1.94<bg><abc>4.982 5.366 6.404<abc><angles>90.000 90.030 90.000<angles><comp>Li4 Al2 Ni2 O8<comp><coord>Li 0.494 0.671 0.752 Li 0.497 0.169 0.005 Li 0.994 0.329 0.252 Li 0.997 0.831 0.505 Al 0.004 0.327 0.754 Al 0.504 0.673 0.254 Ni 0.002 0.828 1.000 Ni 0.502 0.172 0.500 O 0.362 0.315 0.741 O 0.376 0.814 0.023 O 0.400 0.839 0.482 O 0.400 0.356 0.267 O 0.862 0.685 0.241 O 0.876 0.186 0.523 O 0.900 0.161 0.982 O 0.900 0.644 0.767 <coord>
|
<forme>-2.13<forme><bg>0.0<bg><abc>5.362 6.910 7.676<abc><angles>116.516 94.873 95.539<angles><comp>Sb2 F13<comp><coord>Sb 0.814 0.841 0.712 Sb 0.186 0.159 0.288 F 0.609 0.553 0.068 F 0.391 0.447 0.932 F 0.000 0.000 0.000 F 0.123 0.923 0.640 F 0.877 0.077 0.360 F 0.935 0.589 0.707 F 0.065 0.411 0.293 F 0.637 0.695 0.452 F 0.363 0.305 0.548 F 0.533 0.787 0.828 F 0.467 0.213 0.172 F 0.723 0.120 0.766 F 0.277 0.880 0.234 <coord>
|
<forme>-0.3<forme><bg>0.0<bg><abc>5.108 6.730 6.730<abc><angles>81.717 67.694 67.694<angles><comp>Er1 Al8 Cu4<comp><coord>Er 0.000 0.000 0.000 Al 1.000 0.347 0.653 Al 1.000 0.653 0.347 Al 0.347 0.653 0.653 Al 0.653 0.347 0.347 Al 0.500 0.782 0.218 Al 0.500 0.218 0.782 Al 0.282 0.218 0.218 Al 0.718 0.782 0.782 Cu 0.500 0.500 0.000 Cu 0.000 0.500 0.000 Cu 0.000 0.000 0.500 Cu 0.500 1.000 0.500 <coord>
|
<forme>-0.27<forme><bg>0.0<bg><abc>4.821 4.821 8.597<abc><angles>95.036 95.036 108.763<angles><comp>As2 Pd10<comp><coord>As 0.227 0.227 0.713 As 0.773 0.773 0.287 Pd 0.724 0.203 0.826 Pd 0.797 0.276 0.174 Pd 0.203 0.724 0.826 Pd 0.276 0.797 0.174 Pd 0.646 0.646 0.648 Pd 0.354 0.354 0.352 Pd 0.743 0.743 0.993 Pd 0.257 0.257 0.007 Pd 0.184 0.816 0.500 Pd 0.816 0.184 0.500 <coord>
|
<forme>0.04<forme><bg>0.0<bg><abc>3.897 3.897 3.897<abc><angles>90.000 90.000 90.000<angles><comp>Cu3 Sb1<comp><coord>Cu 0.500 0.500 0.000 Cu 0.500 0.000 0.500 Cu 0.000 0.500 0.500 Sb 0.000 0.000 0.000 <coord>
|
<forme>-0.85<forme><bg>2.49<bg><abc>5.547 10.636 10.636<abc><angles>120.000 90.000 90.000<angles><comp>Cs4 Au6 S5<comp><coord>Cs 0.863 0.000 0.000 Cs 0.548 1.000 0.591 Cs 0.548 0.591 1.000 Cs 0.548 0.409 0.409 Au 0.077 0.286 0.831 Au 0.077 0.545 0.714 Au 0.077 0.169 0.455 Au 0.077 0.455 0.169 Au 0.077 0.714 0.545 Au 0.077 0.831 0.286 S 0.870 0.667 0.333 S 0.870 0.333 0.667 S 0.287 0.251 1.000 S 0.287 0.749 0.749 S 0.287 1.000 0.251 <coord>
|
<forme>-1.96<forme><bg>1.24<bg><abc>5.165 5.411 7.482<abc><angles>93.627 89.993 89.964<angles><comp>Li4 Cr1 Sb1 Te2 O12<comp><coord>Li 0.002 0.423 0.266 Li 0.497 0.939 0.804 Li 0.996 0.415 0.805 Li 0.504 0.969 0.251 Cr 1.000 0.991 0.001 Sb 0.501 0.499 0.503 Te 1.000 0.996 0.501 Te 0.500 0.499 0.001 O 0.306 0.191 0.422 O 0.127 0.013 0.740 O 0.327 0.813 0.049 O 0.186 0.692 0.423 O 0.795 0.688 0.930 O 0.363 0.512 0.750 O 0.633 0.517 0.252 O 0.189 0.323 0.050 O 0.828 0.322 0.563 O 0.690 0.203 0.935 O 0.877 0.025 0.261 O 0.678 0.828 0.565 <coord>
|
<forme>-0.5<forme><bg>0.0<bg><abc>3.713 5.611 6.992<abc><angles>90.000 90.000 109.320<angles><comp>Dy2 Mn4 Si2 C2<comp><coord>Dy 0.456 0.911 0.750 Dy 0.544 0.089 0.250 Mn 0.168 0.336 0.938 Mn 0.832 0.664 0.062 Mn 0.832 0.664 0.438 Mn 0.168 0.336 0.562 Si 0.735 0.471 0.750 Si 0.265 0.529 0.250 C 0.000 0.000 0.000 C 0.000 0.000 0.500 <coord>
|
<forme>-0.39<forme><bg>0.0<bg><abc>4.525 8.673 9.183<abc><angles>90.000 90.000 105.124<angles><comp>Pr4 Zn10 Pb2<comp><coord>Pr 0.795 0.590 0.750 Pr 0.205 0.410 0.250 Pr 0.000 0.000 0.500 Pr 0.000 0.000 0.000 Zn 0.186 0.371 0.609 Zn 0.814 0.629 0.391 Zn 0.186 0.371 0.891 Zn 0.814 0.629 0.109 Zn 0.342 0.684 0.515 Zn 0.658 0.316 0.485 Zn 0.342 0.684 0.985 Zn 0.658 0.316 0.015 Zn 0.608 0.216 0.750 Zn 0.392 0.784 0.250 Pb 0.446 0.892 0.750 Pb 0.554 0.108 0.250 <coord>
|
<forme>-3.11<forme><bg>2.01<bg><abc>5.229 5.231 8.743<abc><angles>90.000 90.000 110.997<angles><comp>Li4 V2 F12<comp><coord>Li 0.051 0.121 0.331 Li 0.480 0.240 0.661 Li 0.520 0.760 0.161 Li 0.949 0.879 0.831 V 0.507 0.244 0.003 V 0.493 0.756 0.503 F 0.258 0.252 0.843 F 0.293 0.370 0.490 F 0.311 0.345 0.156 F 0.259 0.832 0.646 F 0.283 0.876 0.020 F 0.290 0.831 0.346 F 0.689 0.655 0.656 F 0.707 0.630 0.990 F 0.742 0.748 0.343 F 0.710 0.169 0.846 F 0.717 0.124 0.520 F 0.741 0.168 0.146 <coord>
|
<forme>-0.6<forme><bg>0.0<bg><abc>3.828 5.877 7.173<abc><angles>90.000 90.000 109.005<angles><comp>Tb2 Si2 Ru4 C2<comp><coord>Tb 0.454 0.907 0.750 Tb 0.546 0.093 0.250 Si 0.733 0.465 0.750 Si 0.267 0.535 0.250 Ru 0.164 0.328 0.942 Ru 0.836 0.672 0.058 Ru 0.836 0.672 0.442 Ru 0.164 0.328 0.558 C 0.000 0.000 0.000 C 0.000 0.000 0.500 <coord>
|
<forme>-2.15<forme><bg>0.37<bg><abc>5.269 5.779 7.725<abc><angles>100.857 105.624 106.122<angles><comp>Li5 Nb2 Cu3 O10<comp><coord>Li 0.220 0.868 0.375 Li 0.411 0.329 0.806 Li 0.500 0.500 0.500 Li 0.589 0.671 0.194 Li 0.780 0.132 0.625 Nb 0.109 0.726 0.703 Nb 0.891 0.274 0.297 Cu 0.000 0.500 0.000 Cu 0.697 0.877 0.900 Cu 0.303 0.123 0.100 O 0.072 0.035 0.827 O 0.332 0.647 0.931 O 0.139 0.342 0.551 O 0.217 0.525 0.249 O 0.451 0.875 0.652 O 0.549 0.125 0.348 O 0.783 0.475 0.751 O 0.861 0.658 0.449 O 0.668 0.353 0.069 O 0.928 0.965 0.173 <coord>
|
<forme>-0.56<forme><bg>0.0<bg><abc>7.413 7.413 7.413<abc><angles>60.000 60.000 60.000<angles><comp>Fe1 Cu6 Ge1 S8<comp><coord>Fe 0.000 0.000 0.000 Cu 0.005 0.005 0.495 Cu 0.495 0.495 0.005 Cu 0.005 0.495 0.005 Cu 0.495 0.005 0.495 Cu 0.495 0.005 0.005 Cu 0.005 0.495 0.495 Ge 0.500 0.500 0.500 S 0.121 0.636 0.121 S 0.625 0.125 0.625 S 0.636 0.121 0.121 S 0.125 0.625 0.625 S 0.121 0.121 0.636 S 0.625 0.625 0.125 S 0.121 0.121 0.121 S 0.625 0.625 0.625 <coord>
|
<forme>-0.4<forme><bg>0.0<bg><abc>5.499 5.499 6.419<abc><angles>115.363 115.363 90.000<angles><comp>Mn2 Fe8 B4 P2<comp><coord>Mn 0.500 0.500 0.000 Mn 0.000 0.000 0.000 Fe 0.192 0.030 0.722 Fe 0.530 0.692 0.722 Fe 0.692 0.192 0.722 Fe 0.030 0.530 0.722 Fe 0.808 0.970 0.278 Fe 0.470 0.308 0.278 Fe 0.308 0.808 0.278 Fe 0.970 0.470 0.278 B 0.118 0.382 0.000 B 0.882 0.618 0.000 B 0.618 0.118 0.000 B 0.382 0.882 0.000 P 0.250 0.250 0.500 P 0.750 0.750 0.500 <coord>
|
<forme>-0.4<forme><bg>0.0<bg><abc>5.040 5.040 5.040<abc><angles>60.000 60.000 60.000<angles><comp>Yb1 Ag1 Hg2<comp><coord>Yb 0.000 0.000 0.000 Ag 0.500 0.500 0.500 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 <coord>
|
<forme>-2.57<forme><bg>0.0<bg><abc>2.992 6.423 10.526<abc><angles>107.765 90.000 90.000<angles><comp>V6 O10 F2<comp><coord>V 0.000 0.322 0.644 V 0.500 0.161 0.322 V 0.500 0.839 0.678 V 0.000 0.678 0.356 V 0.000 0.000 0.000 V 0.500 0.500 0.000 O 0.500 0.263 0.526 O 0.000 0.044 0.669 O 0.000 0.625 0.669 O 1.000 0.956 0.331 O 0.000 0.303 1.000 O 0.500 0.737 0.474 O 0.500 0.065 0.129 O 0.500 0.935 0.871 O 0.000 0.375 0.331 O 0.000 0.697 0.000 F 0.500 0.604 0.208 F 0.500 0.396 0.792 <coord>
|
<forme>-0.16<forme><bg>0.0<bg><abc>4.670 4.670 4.670<abc><angles>90.000 90.000 90.000<angles><comp>V6 Ni2<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 Ni 0.500 0.500 0.500 Ni 0.000 0.000 0.000 <coord>
|
<forme>-0.34<forme><bg>0.0<bg><abc>5.167 5.167 5.167<abc><angles>60.000 60.000 60.000<angles><comp>Yb1 Nd1 Zn2<comp><coord>Yb 0.000 0.000 0.000 Nd 0.500 0.500 0.500 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 <coord>
|
<forme>-2.35<forme><bg>4.13<bg><abc>5.249 5.249 8.571<abc><angles>72.170 72.170 60.000<angles><comp>Ba1 Pb2 C2 O6 F2<comp><coord>Ba 0.000 0.000 0.000 Pb 0.217 0.217 0.350 Pb 0.783 0.783 0.650 C 0.430 0.430 0.711 C 0.570 0.570 0.289 O 0.717 0.288 0.708 O 0.283 0.712 0.292 O 0.288 0.288 0.708 O 0.712 0.712 0.292 O 0.712 0.283 0.292 O 0.288 0.717 0.708 F 0.310 0.310 0.071 F 0.690 0.690 0.929 <coord>
|
<forme>-1.99<forme><bg>2.29<bg><abc>4.285 6.053 8.573<abc><angles>90.000 90.000 90.000<angles><comp>Sr3 Pb1 S4<comp><coord>Sr 0.500 0.500 0.248 Sr 0.000 0.000 0.500 Sr 0.500 0.500 0.752 Pb 0.000 0.000 0.000 S 0.000 0.500 0.500 S 0.500 0.000 0.748 S 0.000 0.500 0.000 S 0.500 0.000 0.252 <coord>
|
<forme>-0.5<forme><bg>1.17<bg><abc>6.299 6.852 8.191<abc><angles>65.276 90.000 90.000<angles><comp>Rb4 As4 Pd2<comp><coord>Rb 0.750 0.793 0.413 Rb 0.250 0.207 0.587 Rb 0.750 0.417 0.167 Rb 0.250 0.583 0.833 As 0.750 0.284 0.787 As 0.250 0.716 0.213 As 0.750 0.929 0.787 As 0.250 0.071 0.213 Pd 0.000 0.000 0.000 Pd 0.500 0.000 0.000 <coord>
|
<forme>-0.44<forme><bg>0.0<bg><abc>3.792 5.653 7.047<abc><angles>90.000 90.000 109.599<angles><comp>Sm2 Mn4 Si2 C2<comp><coord>Sm 0.455 0.909 0.750 Sm 0.545 0.091 0.250 Mn 0.168 0.336 0.937 Mn 0.832 0.664 0.063 Mn 0.832 0.664 0.437 Mn 0.168 0.336 0.563 Si 0.734 0.469 0.750 Si 0.266 0.531 0.250 C 0.000 0.000 0.000 C 0.000 0.000 0.500 <coord>
|
<forme>-0.55<forme><bg>0.0<bg><abc>4.648 4.648 4.648<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Sc2 Rh1<comp><coord>Li 0.500 0.500 0.500 Sc 0.750 0.750 0.750 Sc 0.250 0.250 0.250 Rh 0.000 0.000 0.000 <coord>
|
<forme>-0.0<forme><bg>0.0<bg><abc>3.141 3.141 17.194<abc><angles>90.000 90.000 120.000<angles><comp>Ce2 Mg4<comp><coord>Ce 0.667 0.333 0.250 Ce 0.333 0.667 0.750 Mg 0.333 0.667 0.079 Mg 0.333 0.667 0.421 Mg 0.667 0.333 0.579 Mg 0.667 0.333 0.921 <coord>
|
<forme>-0.36<forme><bg>0.0<bg><abc>5.481 5.481 5.481<abc><angles>60.000 60.000 60.000<angles><comp>La1 Tm1 Tl2<comp><coord>La 0.500 0.500 0.500 Tm 0.000 0.000 0.000 Tl 0.750 0.750 0.750 Tl 0.250 0.250 0.250 <coord>
|
<forme>-3.45<forme><bg>2.86<bg><abc>5.906 5.916 5.916<abc><angles>60.268 60.052 60.052<angles><comp>Nb1 O6 Sr2 Tm1<comp><coord>Nb 0.003 0.000 0.000 O 0.774 0.750 0.250 O 0.742 0.240 0.240 O 0.774 0.250 0.750 O 0.222 0.760 0.760 O 0.252 0.231 0.769 O 0.252 0.769 0.231 Sr 0.756 0.748 0.748 Sr 0.253 0.252 0.252 Tm 0.504 0.500 0.500 <coord>
|
<forme>-2.62<forme><bg>0.0<bg><abc>5.399 6.821 6.823<abc><angles>87.451 75.038 75.042<angles><comp>Zn2 Fe2 Si4 O12<comp><coord>Zn 0.750 0.235 0.765 Zn 0.250 0.765 0.235 Fe 0.250 0.104 0.896 Fe 0.750 0.896 0.104 Si 0.221 0.221 0.387 Si 0.279 0.613 0.779 Si 0.721 0.387 0.221 Si 0.779 0.779 0.613 O 0.459 0.334 0.378 O 0.041 0.622 0.666 O 0.541 0.666 0.622 O 0.959 0.378 0.334 O 0.123 0.148 0.619 O 0.377 0.381 0.853 O 0.877 0.853 0.381 O 0.623 0.619 0.147 O 0.839 0.209 0.042 O 0.661 0.958 0.791 O 0.339 0.042 0.209 O 0.161 0.791 0.958 <coord>
|
<forme>-2.67<forme><bg>0.0<bg><abc>3.890 3.890 7.096<abc><angles>105.909 105.909 90.000<angles><comp>Sr2 Tc1 O4<comp><coord>Sr 0.649 0.649 0.299 Sr 0.351 0.351 0.701 Tc 0.000 0.000 0.000 O 0.000 0.500 0.000 O 0.500 0.000 0.000 O 0.836 0.836 0.673 O 0.164 0.164 0.327 <coord>
|
<forme>-2.59<forme><bg>3.37<bg><abc>5.668 5.668 5.668<abc><angles>89.998 120.001 120.000<angles><comp>Ni1 O6 Sr2 W1<comp><coord>Ni 1.000 0.500 0.500 O 0.515 0.757 0.757 O 1.000 0.757 0.757 O 0.000 0.243 0.243 O 0.000 0.243 0.757 O 0.485 0.243 0.243 O 1.000 0.757 0.243 Sr 0.500 0.750 0.250 Sr 0.500 0.250 0.750 W 1.000 1.000 1.000 <coord>
|
<forme>-1.33<forme><bg>0.0<bg><abc>5.375 6.529 6.529<abc><angles>117.692 90.000 90.000<angles><comp>Ba2 Cu2 S4<comp><coord>Ba 0.750 0.349 0.651 Ba 0.250 0.651 0.349 Cu 0.500 0.000 0.000 Cu 0.000 0.000 0.000 S 0.750 0.862 0.667 S 0.250 0.138 0.333 S 0.750 0.333 0.138 S 0.250 0.667 0.862 <coord>
|
<forme>-2.94<forme><bg>2.37<bg><abc>7.344 7.434 7.434<abc><angles>61.390 60.397 60.397<angles><comp>Cs2 V2 Ni2 F12<comp><coord>Cs 0.122 0.128 0.628 Cs 0.878 0.872 0.372 V 0.500 0.000 0.000 V 0.500 0.500 0.500 Ni 0.000 0.500 0.000 Ni 0.500 0.500 0.000 F 0.566 0.184 0.684 F 0.180 0.570 0.070 F 0.566 0.574 0.674 F 0.186 0.174 0.074 F 0.186 0.574 0.674 F 0.566 0.174 0.074 F 0.434 0.816 0.316 F 0.820 0.430 0.930 F 0.434 0.426 0.326 F 0.814 0.826 0.926 F 0.814 0.426 0.326 F 0.434 0.826 0.926 <coord>
|
<forme>-0.87<forme><bg>0.0<bg><abc>4.714 4.714 4.714<abc><angles>60.000 60.000 60.000<angles><comp>Lu1 Mg1 Pd2<comp><coord>Lu 0.500 0.500 0.500 Mg 0.000 0.000 0.000 Pd 0.750 0.750 0.750 Pd 0.250 0.250 0.250 <coord>
|
<forme>-0.18<forme><bg>0.0<bg><abc>4.008 4.864 4.864<abc><angles>60.000 90.000 90.000<angles><comp>Y1 Co3 Ni2<comp><coord>Y 0.000 0.000 0.000 Co 0.500 0.500 0.000 Co 0.500 0.000 0.500 Co 0.500 0.500 0.500 Ni 1.000 0.667 0.667 Ni 1.000 0.333 0.333 <coord>
|
<forme>-0.58<forme><bg>0.0<bg><abc>4.240 5.384 5.384<abc><angles>60.000 90.000 90.000<angles><comp>U1 Al3 Pd2<comp><coord>U 0.000 0.000 0.000 Al 0.500 0.000 0.500 Al 0.500 0.500 0.000 Al 0.500 0.500 0.500 Pd 0.000 0.333 0.333 Pd 0.000 0.667 0.667 <coord>
|
<forme>-1.86<forme><bg>1.87<bg><abc>7.941 7.941 7.941<abc><angles>109.583 109.415 109.415<angles><comp>La4 Pb2 Se8<comp><coord>La 0.882 0.257 0.875 La 0.118 0.993 0.375 La 0.382 0.125 0.007 La 0.618 0.625 0.743 Pb 0.500 0.750 0.250 Pb 1.000 0.500 0.500 Se 0.252 0.368 0.771 Se 0.752 0.021 0.118 Se 0.403 0.884 0.632 Se 0.097 0.731 0.979 Se 0.748 0.519 0.116 Se 0.597 0.229 0.481 Se 0.903 0.882 0.634 Se 0.248 0.366 0.269 <coord>
|
<forme>-2.95<forme><bg>0.0<bg><abc>2.877 2.877 10.229<abc><angles>90.000 90.000 120.000<angles><comp>Li2 Ti2 O4<comp><coord>Li 0.000 0.000 0.000 Li 0.000 0.000 0.500 Ti 0.333 0.667 0.250 Ti 0.667 0.333 0.750 O 0.333 0.667 0.871 O 0.333 0.667 0.629 O 0.667 0.333 0.129 O 0.667 0.333 0.371 <coord>
|
<forme>-2.61<forme><bg>0.0<bg><abc>5.441 5.658 7.763<abc><angles>90.000 89.853 90.000<angles><comp>Nd4 Fe2 Ni2 O12<comp><coord>Nd 0.987 0.941 0.250 Nd 0.513 0.441 0.250 Nd 0.013 0.059 0.750 Nd 0.487 0.559 0.750 Fe 0.500 0.000 1.000 Fe 0.000 0.500 0.500 Ni 0.500 0.000 0.500 Ni 0.000 0.500 0.000 O 0.085 0.522 0.252 O 0.415 0.022 0.248 O 0.915 0.478 0.748 O 0.585 0.978 0.752 O 0.707 0.699 0.456 O 0.793 0.199 0.044 O 0.300 0.294 0.955 O 0.200 0.794 0.545 O 0.293 0.301 0.544 O 0.207 0.801 0.956 O 0.700 0.706 0.045 O 0.800 0.206 0.455 <coord>
|
<forme>-0.45<forme><bg>0.0<bg><abc>3.914 3.914 8.585<abc><angles>90.000 90.000 90.000<angles><comp>Hf2 Cu1 Sb3<comp><coord>Hf 0.000 0.500 0.737 Hf 0.500 0.000 0.263 Cu 0.000 0.000 0.000 Sb 0.500 0.500 0.000 Sb 0.000 0.500 0.377 Sb 0.500 0.000 0.623 <coord>
|
<forme>-0.14<forme><bg>0.0<bg><abc>4.904 4.951 7.929<abc><angles>89.933 89.992 119.672<angles><comp>Zr2 Ti2 Cr4 Fe4<comp><coord>Zr 0.666 0.332 0.071 Zr 0.333 0.667 0.934 Ti 0.334 0.667 0.557 Ti 0.666 0.332 0.443 Cr 0.999 0.998 0.500 Cr 0.999 0.999 0.998 Cr 0.831 0.173 0.740 Cr 0.342 0.172 0.740 Fe 0.829 0.657 0.742 Fe 0.169 0.831 0.258 Fe 0.662 0.831 0.258 Fe 0.170 0.340 0.258 <coord>
|
<forme>0.02<forme><bg>0.0<bg><abc>5.208 5.208 6.392<abc><angles>114.038 114.038 90.000<angles><comp>Pr3 Y1<comp><coord>Pr 0.750 0.250 0.500 Pr 0.250 0.750 0.500 Pr 0.500 0.500 0.000 Y 0.000 0.000 0.000 <coord>
|
<forme>-0.39<forme><bg>0.0<bg><abc>5.185 5.185 5.185<abc><angles>60.000 60.000 60.000<angles><comp>Ce1 Mg1 Hg2<comp><coord>Ce 0.500 0.500 0.500 Mg 0.000 0.000 0.000 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 <coord>
|
<forme>-2.03<forme><bg>1.78<bg><abc>6.055 6.055 7.269<abc><angles>114.611 114.611 90.000<angles><comp>K2 Ag2 F8<comp><coord>K 0.250 0.250 0.500 K 0.750 0.750 0.500 Ag 0.500 1.000 1.000 Ag 0.000 0.500 0.000 F 0.452 0.281 0.232 F 0.219 0.048 0.768 F 0.548 0.719 0.768 F 0.048 0.548 0.768 F 0.781 0.952 0.232 F 0.281 0.781 0.232 F 0.952 0.452 0.232 F 0.719 0.219 0.768 <coord>
|
<forme>-1.78<forme><bg>0.0<bg><abc>4.038 7.017 11.628<abc><angles>90.000 90.000 93.815<angles><comp>Na4 Cr2 Cl8<comp><coord>Na 0.483 0.094 0.320 Na 0.517 0.406 0.820 Na 0.483 0.594 0.180 Na 0.517 0.906 0.680 Cr 0.000 0.500 0.500 Cr 0.000 0.000 0.000 Cl 0.433 0.240 0.047 Cl 0.567 0.260 0.547 Cl 0.992 0.885 0.193 Cl 0.008 0.615 0.693 Cl 0.008 0.115 0.807 Cl 0.992 0.385 0.307 Cl 0.567 0.760 0.953 Cl 0.433 0.740 0.453 <coord>
|
<forme>-0.27<forme><bg>3.96<bg><abc>4.667 6.420 6.420<abc><angles>90.000 90.000 90.000<angles><comp>P2 H8 I2<comp><coord>P 0.000 0.500 0.500 P 0.000 0.000 0.000 H 0.177 0.500 0.679 H 0.177 0.179 0.000 H 0.177 0.821 0.000 H 0.177 0.500 0.321 H 0.823 0.000 0.179 H 0.823 0.000 0.821 H 0.823 0.679 0.500 H 0.823 0.321 0.500 I 0.396 0.000 0.500 I 0.604 0.500 0.000 <coord>
|
<forme>-0.46<forme><bg>0.0<bg><abc>4.133 4.133 8.276<abc><angles>104.461 104.461 90.000<angles><comp>In2 Pd6<comp><coord>In 0.875 0.875 0.750 In 0.125 0.125 0.250 Pd 0.000 0.500 0.000 Pd 0.500 0.000 0.000 Pd 0.750 0.250 0.500 Pd 0.250 0.750 0.500 Pd 0.626 0.626 0.252 Pd 0.374 0.374 0.748 <coord>
|
<forme>-0.68<forme><bg>0.52<bg><abc>4.358 4.358 4.358<abc><angles>60.000 60.000 60.000<angles><comp>Zr1 Ni1 Sn1<comp><coord>Zr 0.000 0.000 0.000 Ni 0.750 0.750 0.750 Sn 0.500 0.500 0.500 <coord>
|
<forme>-0.36<forme><bg>0.0<bg><abc>4.997 4.997 4.997<abc><angles>90.000 90.000 90.000<angles><comp>Yb3 Pb1<comp><coord>Yb 0.000 0.500 0.500 Yb 0.500 0.000 0.500 Yb 0.500 0.500 0.000 Pb 0.000 0.000 0.000 <coord>
|
<forme>-2.2<forme><bg>0.16<bg><abc>4.615 5.382 5.382<abc><angles>100.463 101.667 101.667<angles><comp>Zn1 Cu1 P2 O7<comp><coord>Zn 0.500 0.691 0.309 Cu 0.500 0.310 0.690 P 0.908 0.196 0.210 P 0.092 0.790 0.804 O 0.736 0.349 0.047 O 0.720 0.064 0.374 O 0.280 0.626 0.936 O 0.264 0.953 0.651 O 0.219 0.376 0.380 O 0.781 0.620 0.624 O 0.000 0.968 0.032 <coord>
|
<forme>-2.06<forme><bg>0.0<bg><abc>5.813 5.813 5.813<abc><angles>88.626 60.406 118.828<angles><comp>Al2 Co4 O8<comp><coord>Al 0.500 1.000 1.000 Al 0.000 0.000 0.500 Co 0.500 0.500 0.000 Co 0.750 0.378 0.372 Co 0.000 0.000 0.000 Co 0.250 0.622 0.628 O 0.532 0.770 0.762 O 0.968 0.207 0.762 O 0.984 0.768 0.747 O 0.516 0.768 0.216 O 0.484 0.232 0.784 O 0.016 0.232 0.253 O 0.468 0.230 0.238 O 0.032 0.793 0.238 <coord>
|
<forme>-2.35<forme><bg>0.0<bg><abc>5.224 5.224 5.581<abc><angles>62.091 62.091 60.000<angles><comp>Cu1 Mo1 F6<comp><coord>Cu 0.000 0.000 0.000 Mo 0.500 0.500 0.500 F 0.125 0.386 0.742 F 0.875 0.614 0.258 F 0.253 0.875 0.258 F 0.747 0.125 0.742 F 0.386 0.747 0.742 F 0.614 0.253 0.258 <coord>
|
<forme>-0.03<forme><bg>0.0<bg><abc>2.870 2.870 2.870<abc><angles>60.000 60.000 60.000<angles><comp>H1 Rh1<comp><coord>H 0.500 0.500 0.500 Rh 0.000 0.000 0.000 <coord>
|
<forme>-1.91<forme><bg>0.07<bg><abc>4.293 7.539 9.110<abc><angles>90.000 90.000 90.000<angles><comp>Ce4 Se8<comp><coord>Ce 0.250 0.753 0.631 Ce 0.250 0.253 0.869 Ce 0.750 0.247 0.369 Ce 0.750 0.747 0.131 Se 0.250 0.862 0.937 Se 0.250 0.362 0.563 Se 0.750 0.138 0.063 Se 0.750 0.638 0.437 Se 0.750 0.537 0.833 Se 0.750 0.037 0.667 Se 0.250 0.463 0.167 Se 0.250 0.963 0.333 <coord>
|
<forme>0.0<forme><bg>0.0<bg><abc>3.071 3.071 9.825<abc><angles>90.000 90.000 120.000<angles><comp>Li4<comp><coord>Li 0.000 0.000 0.000 Li 0.667 0.333 0.750 Li 0.000 0.000 0.500 Li 0.333 0.667 0.250 <coord>
|
<forme>-1.74<forme><bg>0.0<bg><abc>5.170 5.170 5.296<abc><angles>60.781 60.781 60.000<angles><comp>Li2 Os2 O6<comp><coord>Li 0.250 0.250 0.250 Li 0.750 0.750 0.750 Os 0.500 0.500 0.500 Os 0.000 0.000 0.000 O 0.876 0.624 0.250 O 0.624 0.250 0.250 O 0.250 0.876 0.250 O 0.376 0.750 0.750 O 0.750 0.124 0.750 O 0.124 0.376 0.750 <coord>
|
<forme>-0.4<forme><bg>0.0<bg><abc>3.674 4.168 7.084<abc><angles>89.999 90.000 90.000<angles><comp>U2 Si3 Ru1<comp><coord>U 0.000 1.000 0.005 U 0.000 0.500 0.496 Si 0.500 0.500 0.831 Si 0.500 0.500 0.160 Si 0.500 1.000 0.674 Ru 0.500 0.000 0.334 <coord>
|
<forme>-0.56<forme><bg>3.27<bg><abc>3.661 3.757 8.598<abc><angles>89.547 90.000 90.000<angles><comp>Li4 H8 N4<comp><coord>Li 0.755 0.247 0.493 Li 0.255 0.753 0.007 Li 0.245 0.753 0.507 Li 0.745 0.247 0.993 H 0.395 0.119 0.208 H 0.895 0.881 0.292 H 0.605 0.881 0.792 H 0.105 0.119 0.708 H 0.570 0.609 0.305 H 0.070 0.391 0.195 H 0.430 0.391 0.695 H 0.930 0.609 0.805 N 0.756 0.750 0.877 N 0.256 0.250 0.623 N 0.244 0.250 0.123 N 0.744 0.750 0.377 <coord>
|
<forme>-4.12<forme><bg>0.0<bg><abc>5.591 6.844 6.844<abc><angles>80.393 65.888 65.888<angles><comp>Y1 Th4 O10<comp><coord>Y 0.000 0.000 0.000 Th 0.202 0.197 0.399 Th 0.601 0.601 0.197 Th 0.399 0.399 0.803 Th 0.798 0.803 0.601 O 0.050 0.299 0.100 O 0.550 0.299 0.100 O 0.150 0.900 0.299 O 0.350 0.100 0.701 O 0.250 0.500 0.500 O 0.850 0.100 0.701 O 0.650 0.900 0.299 O 0.750 0.500 0.500 O 0.450 0.701 0.900 O 0.950 0.701 0.900 <coord>
|
<forme>-2.26<forme><bg>2.03<bg><abc>5.535 5.535 5.886<abc><angles>91.247 117.567 118.992<angles><comp>Zr4 N4 O2<comp><coord>Zr 0.756 0.134 0.426 Zr 0.792 0.670 0.926 Zr 0.223 0.373 0.074 Zr 0.201 0.851 0.574 N 0.695 0.948 0.735 N 0.288 0.041 0.235 N 0.708 0.744 0.253 N 0.009 0.545 0.753 O 0.010 0.443 0.261 O 0.319 0.252 0.761 <coord>
|
<forme>-0.22<forme><bg>0.0<bg><abc>3.985 5.067 5.067<abc><angles>120.000 90.000 90.000<angles><comp>Th1 Mn2 Ni3<comp><coord>Th 0.000 0.000 0.000 Mn 0.000 0.333 0.667 Mn 1.000 0.667 0.333 Ni 0.500 0.500 0.000 Ni 0.500 0.500 0.500 Ni 0.500 0.000 0.500 <coord>
|
<forme>-1.42<forme><bg>0.05<bg><abc>6.019 6.019 6.019<abc><angles>60.000 60.000 59.999<angles><comp>Cs2 Co2 O4<comp><coord>Cs 0.500 0.500 0.500 Cs 0.750 0.750 0.750 Co 0.250 0.250 0.250 Co 1.000 0.000 1.000 O 0.128 0.128 0.128 O 0.128 0.616 0.128 O 0.616 0.128 0.128 O 0.128 0.128 0.616 <coord>
|
<forme>-0.13<forme><bg>0.0<bg><abc>3.111 3.111 3.983<abc><angles>90.000 90.000 90.000<angles><comp>Mg1 Ga1<comp><coord>Mg 0.500 0.500 0.500 Ga 0.000 0.000 0.000 <coord>
|
<forme>-1.46<forme><bg>0.0<bg><abc>6.253 8.978 10.011<abc><angles>90.678 108.198 90.000<angles><comp>La4 U2 Te10<comp><coord>La 0.750 0.268 0.499 La 0.422 0.264 0.825 La 0.251 0.732 0.501 La 0.597 0.736 0.175 U 0.066 0.262 0.166 U 0.900 0.738 0.834 Te 0.755 0.639 0.509 Te 0.086 0.628 0.161 Te 0.406 0.640 0.833 Te 0.246 0.361 0.491 Te 0.574 0.360 0.167 Te 0.925 0.372 0.839 Te 0.942 0.002 0.362 Te 0.247 1.000 0.000 Te 0.579 0.998 0.638 Te 0.754 0.000 0.000 <coord>
|
<forme>-0.11<forme><bg>0.0<bg><abc>6.373 6.373 6.373<abc><angles>82.546 82.546 82.546<angles><comp>Pr2 Al2 Co15<comp><coord>Pr 0.352 0.352 0.352 Pr 0.648 0.648 0.648 Al 0.105 0.105 0.105 Al 0.895 0.895 0.895 Co 0.000 0.000 0.500 Co 0.000 0.500 0.000 Co 0.500 0.000 0.000 Co 0.717 0.283 0.000 Co 0.283 0.000 0.717 Co 0.000 0.717 0.283 Co 0.717 0.000 0.283 Co 0.000 0.283 0.717 Co 0.283 0.717 1.000 Co 0.654 0.654 0.147 Co 0.654 0.147 0.654 Co 0.147 0.654 0.654 Co 0.346 0.346 0.853 Co 0.346 0.853 0.346 Co 0.853 0.346 0.346 <coord>
|
<forme>-0.73<forme><bg>0.0<bg><abc>4.642 4.642 4.642<abc><angles>60.000 60.000 60.000<angles><comp>Sc2 Zn1 Ir1<comp><coord>Sc 0.750 0.750 0.750 Sc 0.250 0.250 0.250 Zn 0.000 0.000 0.000 Ir 0.500 0.500 0.500 <coord>
|
<forme>-0.14<forme><bg>0.0<bg><abc>4.619 4.796 6.465<abc><angles>81.079 75.550 62.798<angles><comp>Mg1 Al2 H8<comp><coord>Mg 0.993 0.999 0.995 Al 0.418 0.369 0.704 Al 0.568 0.631 0.287 H 0.358 0.063 0.836 H 0.079 0.669 0.808 H 0.746 0.312 0.793 H 0.534 0.712 0.530 H 0.454 0.288 0.460 H 0.237 0.689 0.200 H 0.906 0.332 0.182 H 0.626 0.937 0.154 <coord>
|
<forme>-0.48<forme><bg>0.0<bg><abc>3.471 3.471 5.224<abc><angles>109.403 109.403 90.000<angles><comp>Lu1 Fe2 B2<comp><coord>Lu 0.000 0.000 0.000 Fe 0.750 0.250 0.500 Fe 0.250 0.750 0.500 B 0.611 0.611 0.222 B 0.389 0.389 0.778 <coord>
|
<forme>-0.3<forme><bg>0.0<bg><abc>4.425 4.425 4.425<abc><angles>60.000 60.000 60.000<angles><comp>Li1 In1 Rh2<comp><coord>Li 0.000 0.000 0.000 In 0.500 0.500 0.500 Rh 0.750 0.750 0.750 Rh 0.250 0.250 0.250 <coord>
|
<forme>-0.18<forme><bg>0.0<bg><abc>5.041 5.041 5.041<abc><angles>60.000 60.000 60.000<angles><comp>Y2 Co4<comp><coord>Y 0.750 0.750 0.750 Y 0.000 0.000 0.000 Co 0.375 0.875 0.375 Co 0.375 0.375 0.375 Co 0.375 0.375 0.875 Co 0.875 0.375 0.375 <coord>
|
<forme>-2.03<forme><bg>0.0<bg><abc>4.013 4.013 16.293<abc><angles>90.000 90.000 119.192<angles><comp>Br4 Nd2<comp><coord>Br 0.164 0.336 0.384 Br 0.836 0.664 0.616 Br 0.336 0.164 0.884 Br 0.664 0.836 0.116 Nd 0.000 0.500 0.000 Nd 0.500 0.000 0.500 <coord>
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.