text
stringlengths 140
560
|
|---|
<forme>-0.62<forme><bg>0.0<bg><abc>4.135 5.679 13.694<abc><angles>90.000 90.000 111.353<angles><comp>Er6 Fe4 Ge6<comp><coord>Er 0.081 0.161 0.388 Er 0.919 0.839 0.612 Er 0.081 0.161 0.112 Er 0.919 0.839 0.888 Er 0.361 0.723 0.250 Er 0.639 0.277 0.750 Fe 0.214 0.428 0.916 Fe 0.786 0.572 0.084 Fe 0.214 0.428 0.584 Fe 0.786 0.572 0.416 Ge 0.376 0.753 0.459 Ge 0.624 0.247 0.541 Ge 0.376 0.753 0.041 Ge 0.624 0.247 0.959 Ge 0.669 0.337 0.250 Ge 0.331 0.663 0.750 <coord>
|
<forme>-0.6<forme><bg>0.0<bg><abc>4.462 5.641 8.055<abc><angles>90.000 90.000 113.294<angles><comp>Pr2 In4 Rh2<comp><coord>Pr 0.432 0.865 0.750 Pr 0.568 0.135 0.250 In 0.146 0.292 0.949 In 0.854 0.708 0.051 In 0.854 0.708 0.449 In 0.146 0.292 0.551 Rh 0.717 0.434 0.750 Rh 0.283 0.566 0.250 <coord>
|
<forme>-0.42<forme><bg>0.0<bg><abc>4.301 4.301 4.301<abc><angles>60.000 60.000 60.000<angles><comp>Li3 Pt1<comp><coord>Li 0.750 0.750 0.750 Li 0.250 0.250 0.250 Li 0.500 0.500 0.500 Pt 0.000 0.000 0.000 <coord>
|
<forme>-2.98<forme><bg>0.0<bg><abc>6.061 6.061 6.061<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 Sm1 Re1 O6<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 Sm 0.500 0.500 0.500 Re 0.000 0.000 0.000 O 0.768 0.232 0.232 O 0.232 0.232 0.768 O 0.768 0.768 0.232 O 0.232 0.768 0.232 O 0.232 0.768 0.768 O 0.768 0.232 0.768 <coord>
|
<forme>-2.66<forme><bg>0.0<bg><abc>5.779 5.862 8.200<abc><angles>90.000 89.605 90.000<angles><comp>Sr4 Yb2 Ru2 O12<comp><coord>Sr 0.509 0.542 0.250 Sr 0.991 0.042 0.250 Sr 0.009 0.958 0.750 Sr 0.491 0.458 0.750 Yb 0.500 1.000 0.000 Yb 0.000 0.500 0.500 Ru 0.000 0.500 0.000 Ru 0.500 0.000 0.500 O 0.311 0.730 0.543 O 0.576 0.020 0.730 O 0.924 0.520 0.770 O 0.424 0.980 0.270 O 0.689 0.270 0.457 O 0.232 0.194 0.540 O 0.268 0.694 0.960 O 0.811 0.770 0.043 O 0.076 0.480 0.230 O 0.189 0.230 0.957 O 0.732 0.306 0.040 O 0.768 0.806 0.460 <coord>
|
<forme>-1.89<forme><bg>1.86<bg><abc>5.780 6.636 7.477<abc><angles>90.000 90.000 108.484<angles><comp>K6 Sb2 O8<comp><coord>K 0.750 0.000 0.375 K 0.250 1.000 0.625 K 0.250 0.500 0.389 K 0.750 0.500 0.611 K 0.250 0.000 0.109 K 0.750 1.000 0.891 Sb 0.750 0.500 0.113 Sb 0.250 0.500 0.887 O 0.994 0.669 0.913 O 0.506 0.331 0.913 O 0.572 0.291 0.296 O 0.928 0.709 0.296 O 0.428 0.709 0.704 O 0.072 0.291 0.704 O 0.006 0.331 0.087 O 0.494 0.669 0.087 <coord>
|
<forme>-0.39<forme><bg>0.0<bg><abc>4.271 4.271 4.632<abc><angles>90.000 90.000 120.000<angles><comp>Sr1 Zn1 Si1<comp><coord>Sr 0.667 0.333 0.000 Zn 0.000 0.000 0.500 Si 0.333 0.667 0.500 <coord>
|
<forme>-3.26<forme><bg>0.61<bg><abc>3.892 3.892 14.378<abc><angles>90.000 90.000 120.000<angles><comp>Ho4 Te2 O4<comp><coord>Ho 0.667 0.333 0.097 Ho 0.667 0.333 0.403 Ho 0.333 0.667 0.597 Ho 0.333 0.667 0.903 Te 0.000 0.000 0.750 Te 0.000 0.000 0.250 O 0.667 0.333 0.940 O 0.667 0.333 0.560 O 0.333 0.667 0.060 O 0.333 0.667 0.440 <coord>
|
<forme>-0.73<forme><bg>0.0<bg><abc>2.771 7.047 7.047<abc><angles>90.000 90.000 90.000<angles><comp>Li2 Si4 Rh4<comp><coord>Li 0.000 0.000 0.000 Li 0.000 0.500 0.500 Si 1.000 0.146 0.646 Si 0.000 0.354 0.146 Si 1.000 0.646 0.854 Si 0.000 0.854 0.354 Rh 0.500 0.150 0.350 Rh 0.500 0.350 0.850 Rh 0.500 0.650 0.150 Rh 0.500 0.850 0.650 <coord>
|
<forme>-2.3<forme><bg>1.84<bg><abc>6.469 7.125 9.572<abc><angles>90.000 90.000 90.000<angles><comp>Sm4 Sc4 S12<comp><coord>Sm 0.540 0.401 0.750 Sm 0.460 0.599 0.250 Sm 0.040 0.099 0.250 Sm 0.960 0.901 0.750 Sc 0.000 0.500 0.000 Sc 0.000 0.500 0.500 Sc 0.500 0.000 0.500 Sc 0.500 0.000 0.000 S 0.823 0.188 0.566 S 0.177 0.812 0.066 S 0.323 0.312 0.066 S 0.677 0.688 0.566 S 0.823 0.188 0.934 S 0.177 0.812 0.434 S 0.323 0.312 0.434 S 0.677 0.688 0.934 S 0.864 0.458 0.250 S 0.136 0.542 0.750 S 0.364 0.042 0.750 S 0.636 0.958 0.250 <coord>
|
<forme>-2.03<forme><bg>1.65<bg><abc>7.926 7.926 7.926<abc><angles>109.087 109.087 110.243<angles><comp>Cs1 Nd5 Se8<comp><coord>Cs 0.000 0.000 0.000 Nd 0.883 0.760 0.386 Nd 0.240 0.626 0.123 Nd 0.374 0.497 0.614 Nd 0.503 0.117 0.877 Nd 0.750 0.250 0.500 Se 0.603 0.861 0.572 Se 0.612 0.870 0.114 Se 0.139 0.711 0.741 Se 0.970 0.397 0.259 Se 0.756 0.498 0.886 Se 0.502 0.388 0.258 Se 0.130 0.244 0.742 Se 0.289 0.030 0.428 <coord>
|
<forme>-0.58<forme><bg>0.19<bg><abc>5.111 8.634 9.257<abc><angles>90.000 90.000 90.000<angles><comp>Ba4 Ca4 Ge4<comp><coord>Ba 0.250 0.028 0.176 Ba 0.750 0.972 0.824 Ba 0.250 0.528 0.324 Ba 0.750 0.472 0.676 Ca 0.750 0.859 0.426 Ca 0.250 0.641 0.926 Ca 0.750 0.359 0.074 Ca 0.250 0.141 0.574 Ge 0.250 0.281 0.892 Ge 0.750 0.219 0.392 Ge 0.250 0.781 0.608 Ge 0.750 0.719 0.108 <coord>
|
<forme>0.02<forme><bg>0.0<bg><abc>4.882 5.313 5.313<abc><angles>120.000 90.000 90.000<angles><comp>Mg5 Cu1<comp><coord>Mg 0.500 0.333 0.667 Mg 1.000 0.683 0.683 Mg 0.000 0.317 0.000 Mg 0.000 0.000 0.317 Mg 0.500 0.667 0.333 Cu 0.500 0.000 0.000 <coord>
|
<forme>-0.72<forme><bg>1.26<bg><abc>8.359 8.359 13.682<abc><angles>95.456 95.456 117.622<angles><comp>Cs4 Si4 Te12<comp><coord>Cs 0.276 0.777 0.190 Cs 0.520 0.341 0.413 Cs 0.777 0.276 0.690 Cs 0.341 0.520 0.913 Si 0.831 0.943 0.389 Si 0.951 0.100 0.133 Si 0.100 0.951 0.633 Si 0.943 0.831 0.889 Te 0.793 0.802 0.205 Te 0.858 0.313 0.225 Te 0.542 0.847 0.455 Te 0.032 0.296 0.415 Te 0.847 0.542 0.955 Te 0.288 0.232 0.133 Te 0.802 0.793 0.705 Te 0.232 0.288 0.633 Te 0.313 0.858 0.725 Te 0.801 0.029 0.952 Te 0.029 0.801 0.452 Te 0.296 0.032 0.915 <coord>
|
<forme>-0.56<forme><bg>0.0<bg><abc>3.961 6.874 7.291<abc><angles>116.421 105.760 90.000<angles><comp>V3 Te4<comp><coord>V 0.744 0.706 0.488 V 0.256 0.294 0.512 V 0.000 0.000 0.000 Te 0.363 0.024 0.727 Te 0.637 0.976 0.273 Te 0.889 0.547 0.778 Te 0.111 0.453 0.222 <coord>
|
<forme>-0.34<forme><bg>0.0<bg><abc>4.652 4.652 10.349<abc><angles>90.000 90.000 90.000<angles><comp>Pr2 Ni4 Bi4<comp><coord>Pr 0.000 0.500 0.231 Pr 0.500 0.000 0.769 Ni 0.000 0.000 0.000 Ni 0.500 0.500 0.000 Ni 0.000 0.500 0.626 Ni 0.500 0.000 0.374 Bi 0.000 0.000 0.500 Bi 0.500 0.500 0.500 Bi 0.000 0.500 0.875 Bi 0.500 0.000 0.125 <coord>
|
<forme>-0.88<forme><bg>0.0<bg><abc>4.809 4.809 4.809<abc><angles>60.000 60.000 60.000<angles><comp>Tm2 Ru1 Pt1<comp><coord>Tm 0.750 0.750 0.750 Tm 0.250 0.250 0.250 Ru 0.000 0.000 0.000 Pt 0.500 0.500 0.500 <coord>
|
<forme>-1.01<forme><bg>0.0<bg><abc>4.053 4.053 18.257<abc><angles>96.372 96.372 90.000<angles><comp>Ce4 Si4 Ir8<comp><coord>Ce 0.676 0.676 0.351 Ce 0.426 0.926 0.851 Ce 0.074 0.574 0.149 Ce 0.324 0.324 0.649 Si 0.786 0.786 0.572 Si 0.536 0.036 0.072 Si 0.964 0.464 0.928 Si 0.214 0.214 0.428 Ir 0.750 0.250 0.500 Ir 0.000 0.000 0.000 Ir 0.500 0.500 0.000 Ir 0.250 0.750 0.500 Ir 0.852 0.852 0.705 Ir 0.602 0.102 0.205 Ir 0.898 0.398 0.795 Ir 0.148 0.148 0.295 <coord>
|
<forme>-1.52<forme><bg>0.31<bg><abc>4.431 6.639 6.639<abc><angles>119.614 90.000 90.000<angles><comp>Li2 Zr4 N6<comp><coord>Li 0.250 0.634 0.634 Li 0.750 0.366 0.366 Zr 0.250 0.336 0.018 Zr 0.250 0.018 0.336 Zr 0.750 0.664 0.982 Zr 0.750 0.982 0.664 N 0.750 0.331 0.967 N 0.750 0.967 0.331 N 0.250 0.669 0.033 N 0.250 0.033 0.669 N 0.750 0.687 0.687 N 0.250 0.313 0.313 <coord>
|
<forme>-0.38<forme><bg>0.0<bg><abc>2.648 2.648 6.856<abc><angles>90.000 90.000 90.000<angles><comp>Al1 V1 Ni2<comp><coord>Al 0.000 0.000 0.000 V 0.000 0.000 0.500 Ni 0.500 0.500 0.239 Ni 0.500 0.500 0.761 <coord>
|
<forme>-0.54<forme><bg>0.0<bg><abc>4.125 6.579 7.910<abc><angles>90.000 105.113 90.000<angles><comp>Dy2 Ga8 Ni2<comp><coord>Dy 0.382 0.750 0.763 Dy 0.618 0.250 0.237 Ga 0.000 0.500 0.000 Ga 0.000 0.000 0.000 Ga 0.572 0.750 0.145 Ga 0.428 0.250 0.855 Ga 0.186 0.551 0.373 Ga 0.814 0.449 0.627 Ga 0.186 0.949 0.373 Ga 0.814 0.051 0.627 Ni 0.725 0.750 0.449 Ni 0.275 0.250 0.551 <coord>
|
<forme>-0.6<forme><bg>0.0<bg><abc>4.183 5.212 5.212<abc><angles>80.732 66.340 66.340<angles><comp>Lu1 Au4<comp><coord>Lu 0.000 0.000 0.000 Au 0.400 0.800 0.400 Au 0.600 0.200 0.600 Au 0.800 0.600 0.800 Au 0.200 0.400 0.200 <coord>
|
<forme>-1.44<forme><bg>0.0<bg><abc>5.766 5.766 5.766<abc><angles>60.389 60.389 60.389<angles><comp>Li2 Mn1 Ni3 O8<comp><coord>Li 0.874 0.874 0.874 Li 0.126 0.126 0.126 Mn 0.500 0.500 0.500 Ni 0.000 0.500 0.500 Ni 0.500 0.000 0.500 Ni 0.500 0.500 0.000 O 0.736 0.736 0.736 O 0.735 0.735 0.287 O 0.735 0.287 0.735 O 0.287 0.735 0.735 O 0.713 0.265 0.265 O 0.265 0.713 0.265 O 0.265 0.265 0.713 O 0.264 0.264 0.264 <coord>
|
<forme>-0.2<forme><bg>0.0<bg><abc>4.795 4.795 4.795<abc><angles>60.000 60.000 60.000<angles><comp>Li2 Mg1 Tl1<comp><coord>Li 0.750 0.750 0.750 Li 0.250 0.250 0.250 Mg 0.000 0.000 0.000 Tl 0.500 0.500 0.500 <coord>
|
<forme>-1.2<forme><bg>1.33<bg><abc>5.830 7.237 11.728<abc><angles>84.255 75.610 66.249<angles><comp>K4 V2 Ag2 S8<comp><coord>K 0.570 0.500 0.860 K 0.180 0.000 0.640 K 0.930 0.500 0.140 K 0.820 0.000 0.360 V 0.000 0.000 0.000 V 0.750 0.500 0.500 Ag 0.500 0.000 0.000 Ag 0.250 0.500 0.500 S 0.160 0.199 0.887 S 0.642 0.199 0.113 S 0.245 0.801 0.113 S 0.953 0.801 0.887 S 0.590 0.301 0.613 S 0.505 0.699 0.387 S 0.108 0.301 0.387 S 0.797 0.699 0.613 <coord>
|
<forme>-3.03<forme><bg>1.62<bg><abc>6.079 6.079 6.079<abc><angles>106.244 106.244 116.138<angles><comp>Ca1 Ce1 V2 O8<comp><coord>Ca 0.000 0.000 0.000 Ce 0.750 0.250 0.500 V 0.250 0.750 0.500 V 0.500 0.500 1.000 O 0.071 0.749 0.679 O 0.521 0.333 0.188 O 0.145 0.333 0.812 O 0.071 0.392 0.321 O 0.667 0.479 0.812 O 0.251 0.929 0.321 O 0.608 0.929 0.679 O 0.667 0.855 0.188 <coord>
|
<forme>-1.08<forme><bg>0.0<bg><abc>4.651 4.651 7.584<abc><angles>90.000 90.000 120.000<angles><comp>Sm2 Sb2 Pd2<comp><coord>Sm 0.000 0.000 0.014 Sm 0.000 0.000 0.514 Sb 0.333 0.667 0.288 Sb 0.667 0.333 0.788 Pd 0.333 0.667 0.689 Pd 0.667 0.333 0.189 <coord>
|
<forme>-1.43<forme><bg>0.0<bg><abc>4.226 4.226 4.226<abc><angles>60.000 60.000 60.000<angles><comp>Ce1 As1<comp><coord>Ce 0.500 0.500 0.500 As 0.000 0.000 0.000 <coord>
|
<forme>-3.49<forme><bg>2.29<bg><abc>3.635 6.156 10.464<abc><angles>90.000 90.000 90.000<angles><comp>Sr4 Ce2 O8<comp><coord>Sr 0.500 0.437 0.179 Sr 0.500 0.563 0.821 Sr 0.500 0.937 0.321 Sr 0.500 0.063 0.679 Ce 0.000 0.500 0.500 Ce 0.000 0.000 0.000 O 0.500 0.273 0.458 O 0.500 0.727 0.542 O 0.500 0.773 0.042 O 0.500 0.227 0.958 O 0.000 0.643 0.307 O 0.000 0.357 0.693 O 0.000 0.857 0.807 O 0.000 0.143 0.193 <coord>
|
<forme>-2.14<forme><bg>0.0<bg><abc>6.959 6.959 6.959<abc><angles>60.000 60.000 60.000<angles><comp>Mn6 Bi1 P1 O12<comp><coord>Mn 0.496 0.496 0.004 Mn 0.004 0.496 0.496 Mn 0.004 0.496 0.004 Mn 0.004 0.004 0.496 Mn 0.496 0.004 0.004 Mn 0.496 0.004 0.496 Bi 0.000 0.000 0.000 P 0.500 0.500 0.500 O 0.142 0.573 0.142 O 0.142 0.142 0.142 O 0.142 0.142 0.573 O 0.573 0.142 0.142 O 0.854 0.437 0.854 O 0.854 0.854 0.854 O 0.854 0.854 0.437 O 0.437 0.854 0.854 O 0.409 0.772 0.409 O 0.409 0.409 0.409 O 0.409 0.409 0.772 O 0.772 0.409 0.409 <coord>
|
<forme>-0.62<forme><bg>0.0<bg><abc>4.172 6.804 6.804<abc><angles>120.000 90.000 90.000<angles><comp>Lu3 Ga5 Co1<comp><coord>Lu 1.000 0.408 0.408 Lu 1.000 0.000 0.592 Lu 0.000 0.592 0.000 Ga 0.500 0.768 0.768 Ga 0.500 1.000 0.232 Ga 0.500 0.232 0.000 Ga 0.500 0.667 0.333 Ga 0.500 0.333 0.667 Co 0.000 0.000 0.000 <coord>
|
<forme>-0.39<forme><bg>0.0<bg><abc>5.981 5.981 8.537<abc><angles>76.854 76.854 88.918<angles><comp>Eu6 Ga4<comp><coord>Eu 0.744 0.664 0.030 Eu 0.336 0.256 0.470 Eu 0.256 0.336 0.970 Eu 0.175 0.825 0.250 Eu 0.825 0.175 0.750 Eu 0.664 0.744 0.530 Ga 0.306 0.884 0.841 Ga 0.116 0.694 0.659 Ga 0.884 0.306 0.341 Ga 0.694 0.116 0.159 <coord>
|
<forme>0.06<forme><bg>0.0<bg><abc>4.611 4.732 6.501<abc><angles>90.875 90.000 90.000<angles><comp>Bi4<comp><coord>Bi 0.750 0.160 0.759 Bi 0.750 0.284 0.262 Bi 0.250 0.716 0.738 Bi 0.250 0.840 0.241 <coord>
|
<forme>-2.7<forme><bg>1.36<bg><abc>4.677 5.588 7.765<abc><angles>94.196 90.638 90.320<angles><comp>V6 O8 F4<comp><coord>V 0.992 0.687 0.669 V 0.480 0.808 0.356 V 0.982 0.016 0.977 V 0.490 0.154 0.663 V 0.519 0.493 0.014 V 0.018 0.330 0.322 O 0.208 0.630 0.439 O 0.704 0.212 0.888 O 0.191 0.284 0.089 O 0.699 0.536 0.244 O 0.193 0.974 0.769 O 0.697 0.863 0.561 O 0.310 0.122 0.428 O 0.809 0.722 0.913 F 0.299 0.800 0.111 F 0.788 0.027 0.223 F 0.307 0.478 0.769 F 0.814 0.363 0.566 <coord>
|
<forme>-0.39<forme><bg>0.0<bg><abc>5.060 5.060 5.060<abc><angles>60.000 60.000 60.000<angles><comp>Dy1 Er1 Al2<comp><coord>Dy 0.500 0.500 0.500 Er 0.000 0.000 0.000 Al 0.250 0.250 0.250 Al 0.750 0.750 0.750 <coord>
|
<forme>-0.53<forme><bg>0.0<bg><abc>4.320 4.320 21.989<abc><angles>90.000 90.000 120.000<angles><comp>Ho6 Ga8 Cu4<comp><coord>Ho 0.000 0.000 0.744 Ho 0.000 0.000 0.411 Ho 0.000 0.000 0.078 Ho 0.000 0.000 0.921 Ho 0.000 0.000 0.587 Ho 0.000 0.000 0.255 Ga 0.667 0.333 0.660 Ga 0.667 0.333 0.327 Ga 0.667 0.333 0.845 Ga 0.667 0.333 0.513 Ga 0.667 0.333 0.180 Ga 0.333 0.667 0.819 Ga 0.333 0.667 0.487 Ga 0.333 0.667 0.155 Cu 0.333 0.667 0.675 Cu 0.333 0.667 0.343 Cu 0.333 0.667 0.008 Cu 0.667 0.333 0.993 <coord>
|
<forme>-1.22<forme><bg>0.0<bg><abc>5.041 12.080 12.080<abc><angles>120.000 90.000 90.000<angles><comp>Ba10 Ge7 O3<comp><coord>Ba 0.000 0.081 0.541 Ba 0.000 0.459 0.919 Ba 0.000 0.459 0.541 Ba 0.000 0.250 0.125 Ba 0.000 0.875 0.125 Ba 1.000 0.875 0.750 Ba 0.500 0.661 0.830 Ba 0.500 0.170 0.339 Ba 0.500 0.170 0.830 Ba 0.000 0.667 0.333 Ge 0.500 0.667 0.123 Ge 0.500 0.456 0.333 Ge 0.500 0.877 0.544 Ge 0.500 0.667 0.544 Ge 0.500 0.877 0.333 Ge 0.500 0.456 0.123 Ge 0.500 0.333 0.667 O 0.000 0.741 0.871 O 0.000 0.129 0.871 O 0.000 0.129 0.259 <coord>
|
<forme>-0.16<forme><bg>0.0<bg><abc>5.390 5.390 8.931<abc><angles>90.000 90.000 120.000<angles><comp>Tb4 Tc8<comp><coord>Tb 0.667 0.333 0.563 Tb 0.333 0.667 0.437 Tb 0.333 0.667 0.063 Tb 0.667 0.333 0.937 Tc 0.000 0.000 0.500 Tc 0.000 0.000 0.000 Tc 0.171 0.342 0.750 Tc 0.171 0.829 0.750 Tc 0.658 0.829 0.750 Tc 0.829 0.658 0.250 Tc 0.829 0.171 0.250 Tc 0.342 0.171 0.250 <coord>
|
<forme>-0.53<forme><bg>1.43<bg><abc>6.996 7.904 9.882<abc><angles>90.000 91.015 90.000<angles><comp>Sn4 P4 Se12<comp><coord>Sn 0.985 0.116 0.786 Sn 0.533 0.631 0.788 Sn 0.485 0.884 0.286 Sn 0.033 0.369 0.288 P 0.560 0.358 0.434 P 0.060 0.642 0.934 P 0.939 0.852 0.064 P 0.439 0.148 0.564 Se 0.152 0.058 0.054 Se 0.393 0.255 0.768 Se 0.327 0.551 0.032 Se 0.110 0.760 0.734 Se 0.652 0.942 0.554 Se 0.834 0.446 0.941 Se 0.678 0.942 0.953 Se 0.893 0.745 0.268 Se 0.178 0.058 0.453 Se 0.827 0.449 0.532 Se 0.334 0.554 0.441 Se 0.610 0.240 0.234 <coord>
|
<forme>-0.01<forme><bg>0.0<bg><abc>4.862 5.840 5.840<abc><angles>120.000 90.000 90.000<angles><comp>Ga2 Ag6<comp><coord>Ga 0.250 0.667 0.333 Ga 0.750 0.333 0.667 Ag 0.750 0.833 0.167 Ag 0.750 0.335 0.167 Ag 0.750 0.833 0.665 Ag 0.250 0.167 0.833 Ag 0.250 0.665 0.833 Ag 0.250 0.167 0.335 <coord>
|
<forme>-3.08<forme><bg>2.11<bg><abc>5.397 5.397 9.945<abc><angles>88.127 88.127 61.277<angles><comp>Li4 V2 F12<comp><coord>Li 0.276 0.508 0.043 Li 0.653 0.982 0.830 Li 0.982 0.653 0.330 Li 0.508 0.276 0.543 V 0.329 0.970 0.154 V 0.970 0.329 0.654 F 0.556 0.594 0.098 F 0.114 0.451 0.496 F 0.621 0.934 0.260 F 0.934 0.621 0.760 F 0.184 0.856 0.302 F 0.058 0.956 0.054 F 0.956 0.058 0.554 F 0.856 0.184 0.802 F 0.125 0.370 0.193 F 0.370 0.125 0.693 F 0.451 0.114 0.996 F 0.594 0.556 0.598 <coord>
|
<forme>-0.28<forme><bg>0.0<bg><abc>5.098 5.098 8.134<abc><angles>90.000 90.000 120.000<angles><comp>Lu1 Fe6 Ge6<comp><coord>Lu 0.000 0.000 0.000 Fe 0.500 0.500 0.751 Fe 0.500 0.000 0.751 Fe 0.000 0.500 0.751 Fe 0.500 0.500 0.249 Fe 0.500 0.000 0.249 Fe 0.000 0.500 0.249 Ge 0.000 0.000 0.655 Ge 0.000 0.000 0.345 Ge 0.667 0.333 0.500 Ge 0.333 0.667 0.500 Ge 0.667 0.333 1.000 Ge 0.333 0.667 0.000 <coord>
|
<forme>-2.14<forme><bg>0.0<bg><abc>5.430 5.560 8.944<abc><angles>107.497 107.210 91.474<angles><comp>Sr4 Co4 O10<comp><coord>Sr 0.380 0.877 0.777 Sr 0.105 0.601 0.223 Sr 0.879 0.400 0.777 Sr 0.602 0.124 0.222 Co 0.276 0.184 0.498 Co 0.988 0.000 1.000 Co 0.776 0.815 0.502 Co 0.489 0.501 0.001 O 0.331 0.393 0.708 O 0.619 0.607 0.290 O 0.130 0.865 0.500 O 0.119 0.173 0.282 O 0.752 0.761 0.009 O 0.254 0.747 0.010 O 0.838 0.829 0.720 O 0.727 0.257 0.990 O 0.630 0.129 0.500 O 0.228 0.236 0.992 <coord>
|
<forme>-0.31<forme><bg>0.4<bg><abc>6.161 6.161 7.436<abc><angles>114.475 114.475 90.000<angles><comp>Mg2 Sn2 As4<comp><coord>Mg 0.250 0.750 0.500 Mg 0.500 0.500 0.000 Sn 0.000 0.000 0.000 Sn 0.750 0.250 0.500 As 0.126 0.625 0.750 As 0.375 0.376 0.250 As 0.624 0.125 0.750 As 0.875 0.874 0.250 <coord>
|
<forme>-1.49<forme><bg>3.44<bg><abc>4.489 4.547 6.446<abc><angles>90.000 110.378 90.000<angles><comp>Cs2 H2 O2<comp><coord>Cs 0.860 0.741 0.720 Cs 0.140 0.241 0.280 H 0.549 0.617 0.097 H 0.451 0.117 0.903 O 0.612 0.752 0.224 O 0.388 0.252 0.776 <coord>
|
<forme>-1.93<forme><bg>3.8<bg><abc>7.744 7.744 7.744<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Na1 Bi1 Cl6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Na 0.500 0.500 0.500 Bi 0.000 0.000 0.000 Cl 0.248 0.752 0.248 Cl 0.248 0.248 0.752 Cl 0.752 0.248 0.752 Cl 0.248 0.752 0.752 Cl 0.752 0.248 0.248 Cl 0.752 0.752 0.248 <coord>
|
<forme>-0.1<forme><bg>0.0<bg><abc>3.583 3.583 6.014<abc><angles>72.667 72.667 60.000<angles><comp>Pu1 U1 C2<comp><coord>Pu 0.000 0.000 0.000 U 0.500 0.500 0.500 C 0.239 0.239 0.284 C 0.761 0.761 0.716 <coord>
|
<forme>-2.37<forme><bg>0.03<bg><abc>3.040 4.825 4.825<abc><angles>80.420 90.000 90.000<angles><comp>F2 Mn2 O2<comp><coord>F 0.500 0.814 0.814 F 0.500 0.186 0.186 Mn 0.500 0.500 0.500 Mn 1.000 0.000 1.000 O 1.000 0.303 0.697 O 1.000 0.697 0.303 <coord>
|
<forme>-2.02<forme><bg>4.01<bg><abc>5.185 5.476 13.682<abc><angles>87.859 85.475 61.744<angles><comp>Li4 Te2 O6<comp><coord>Li 0.361 0.686 0.932 Li 0.047 0.314 0.932 Li 0.953 0.686 0.068 Li 0.639 0.314 0.068 Te 0.730 1.000 0.839 Te 0.270 1.000 0.161 O 0.631 1.000 0.137 O 0.369 1.000 0.863 O 0.971 0.701 0.919 O 0.328 0.701 0.081 O 0.672 0.299 0.919 O 0.029 0.299 0.081 <coord>
|
<forme>-0.37<forme><bg>0.0<bg><abc>4.947 4.947 12.347<abc><angles>78.444 78.444 60.000<angles><comp>Gd4 Ni14<comp><coord>Gd 0.949 0.949 0.153 Gd 0.147 0.147 0.558 Gd 0.051 0.051 0.847 Gd 0.853 0.853 0.442 Ni 0.722 0.722 0.835 Ni 0.388 0.388 0.836 Ni 0.610 0.110 0.671 Ni 0.110 0.610 0.671 Ni 0.390 0.390 0.329 Ni 0.612 0.612 0.164 Ni 0.000 0.500 0.000 Ni 0.390 0.890 0.329 Ni 0.500 0.500 0.500 Ni 0.890 0.390 0.329 Ni 0.278 0.278 0.165 Ni 0.610 0.610 0.671 Ni 0.500 0.000 0.000 Ni 0.500 0.500 0.000 <coord>
|
<forme>-0.45<forme><bg>0.28<bg><abc>6.332 10.912 12.542<abc><angles>100.842 90.000 90.000<angles><comp>Rb12 Al2 Sb6<comp><coord>Rb 0.250 0.877 0.322 Rb 0.750 0.123 0.678 Rb 0.250 0.865 0.977 Rb 0.750 0.135 0.023 Rb 0.250 0.562 0.460 Rb 0.750 0.438 0.540 Rb 0.250 0.542 0.078 Rb 0.750 0.458 0.922 Rb 0.250 0.260 0.224 Rb 0.750 0.740 0.776 Rb 0.250 0.916 0.631 Rb 0.750 0.084 0.369 Al 0.250 0.321 0.720 Al 0.750 0.679 0.280 Sb 0.250 0.567 0.774 Sb 0.750 0.433 0.226 Sb 0.250 0.213 0.512 Sb 0.750 0.787 0.488 Sb 0.250 0.179 0.876 Sb 0.750 0.821 0.124 <coord>
|
<forme>-0.81<forme><bg>1.52<bg><abc>5.411 5.763 6.700<abc><angles>90.000 90.000 90.000<angles><comp>Al4 In4 N8<comp><coord>Al 0.005 0.576 0.374 Al 0.505 0.424 0.626 Al 0.505 0.924 0.874 Al 0.005 0.076 0.126 In 0.002 0.591 0.876 In 0.502 0.409 0.124 In 0.502 0.909 0.376 In 0.002 0.091 0.624 N 0.355 0.559 0.397 N 0.855 0.441 0.603 N 0.855 0.941 0.897 N 0.355 0.059 0.103 N 0.408 0.605 0.852 N 0.908 0.395 0.148 N 0.908 0.895 0.352 N 0.408 0.105 0.648 <coord>
|
<forme>-3.2<forme><bg>0.0<bg><abc>5.933 5.933 6.124<abc><angles>61.028 61.028 60.000<angles><comp>Mg2 Ti4 O8<comp><coord>Mg 0.997 0.997 0.009 Mg 0.631 0.631 0.108 Ti 0.246 0.246 0.263 Ti 0.136 0.617 0.629 Ti 0.617 0.617 0.629 Ti 0.617 0.136 0.629 O 0.383 0.858 0.375 O 0.383 0.383 0.375 O 0.858 0.383 0.375 O 0.368 0.368 0.896 O 0.865 0.865 0.406 O 0.402 0.873 0.851 O 0.873 0.873 0.851 O 0.873 0.402 0.851 <coord>
|
<forme>-0.91<forme><bg>0.0<bg><abc>4.163 7.215 7.215<abc><angles>120.000 90.000 90.000<angles><comp>Th3 Al3 Rh3<comp><coord>Th 0.500 0.000 0.417 Th 0.500 0.417 0.000 Th 0.500 0.583 0.583 Al 0.000 0.000 0.767 Al 0.000 0.767 0.000 Al 1.000 0.233 0.233 Rh 0.000 0.667 0.333 Rh 1.000 0.333 0.667 Rh 0.500 0.000 0.000 <coord>
|
<forme>-0.89<forme><bg>0.0<bg><abc>3.504 9.819 9.819<abc><angles>120.000 90.000 90.000<angles><comp>Ho3 Si2 Sn3 Rh9<comp><coord>Ho 0.500 0.600 0.600 Ho 0.500 0.000 0.400 Ho 0.500 0.400 1.000 Si 0.500 0.667 0.333 Si 0.500 0.333 0.667 Sn 0.500 0.239 0.239 Sn 0.500 0.000 0.761 Sn 0.500 0.761 1.000 Rh 0.000 0.184 0.701 Rh 0.000 0.517 0.816 Rh 0.000 0.299 0.483 Rh 0.000 0.701 0.184 Rh 1.000 0.816 0.517 Rh 0.000 0.483 0.299 Rh 0.000 0.835 0.835 Rh 1.000 0.000 0.165 Rh 0.000 0.165 0.000 <coord>
|
<forme>-0.65<forme><bg>0.91<bg><abc>9.046 9.046 9.315<abc><angles>119.050 119.050 90.000<angles><comp>Sm1 Tl9 Te6<comp><coord>Sm 0.000 0.000 0.000 Tl 0.500 0.500 1.000 Tl 0.003 0.798 0.317 Tl 0.314 0.518 0.317 Tl 0.518 0.003 0.317 Tl 0.798 0.314 0.317 Tl 0.997 0.202 0.683 Tl 0.686 0.482 0.683 Tl 0.482 0.997 0.683 Tl 0.202 0.686 0.683 Te 0.236 0.236 0.472 Te 0.764 0.764 0.528 Te 0.678 0.850 0.000 Te 0.322 0.150 1.000 Te 0.150 0.678 1.000 Te 0.850 0.322 0.000 <coord>
|
<forme>-0.62<forme><bg>0.43<bg><abc>3.934 7.727 17.570<abc><angles>79.262 83.573 75.255<angles><comp>Ti2 Ge2 Te12<comp><coord>Ti 0.736 0.788 0.741 Ti 0.264 0.212 0.259 Ge 0.278 0.037 0.406 Ge 0.722 0.963 0.594 Te 0.908 0.929 0.255 Te 0.156 0.707 0.980 Te 0.406 0.071 0.118 Te 0.634 0.389 0.344 Te 0.092 0.071 0.745 Te 0.594 0.929 0.882 Te 0.844 0.293 0.020 Te 0.129 0.207 0.536 Te 0.871 0.793 0.464 Te 0.311 0.556 0.822 Te 0.689 0.444 0.178 Te 0.366 0.611 0.656 <coord>
|
<forme>-1.22<forme><bg>2.72<bg><abc>4.260 7.945 10.643<abc><angles>90.000 90.000 90.000<angles><comp>H4 Pb4 I4 O4<comp><coord>H 0.250 0.811 0.109 H 0.250 0.311 0.391 H 0.750 0.189 0.891 H 0.750 0.689 0.609 Pb 0.250 0.682 0.419 Pb 0.250 0.182 0.081 Pb 0.750 0.318 0.581 Pb 0.750 0.818 0.919 I 0.750 0.547 0.179 I 0.750 0.047 0.321 I 0.250 0.453 0.821 I 0.250 0.953 0.679 O 0.250 0.883 0.035 O 0.250 0.383 0.465 O 0.750 0.117 0.965 O 0.750 0.617 0.535 <coord>
|
<forme>-0.07<forme><bg>0.0<bg><abc>6.067 6.368 6.368<abc><angles>76.881 61.548 61.548<angles><comp>Th4 Tl2<comp><coord>Th 0.847 0.806 0.500 Th 0.153 0.194 0.500 Th 0.653 0.500 0.194 Th 0.347 0.500 0.806 Tl 0.250 1.000 1.000 Tl 0.750 1.000 1.000 <coord>
|
<forme>-1.52<forme><bg>0.0<bg><abc>6.086 6.983 8.968<abc><angles>90.000 90.000 90.000<angles><comp>U4 V4 S12<comp><coord>U 0.555 0.386 0.750 U 0.445 0.614 0.250 U 0.055 0.114 0.250 U 0.945 0.886 0.750 V 0.000 0.500 0.000 V 0.000 0.500 0.500 V 0.500 0.000 0.500 V 0.500 0.000 0.000 S 0.836 0.185 0.561 S 0.164 0.815 0.061 S 0.336 0.315 0.061 S 0.664 0.685 0.561 S 0.836 0.185 0.939 S 0.164 0.815 0.439 S 0.336 0.315 0.439 S 0.664 0.685 0.939 S 0.854 0.456 0.250 S 0.146 0.544 0.750 S 0.354 0.044 0.750 S 0.646 0.956 0.250 <coord>
|
<forme>-0.78<forme><bg>1.44<bg><abc>4.082 8.700 10.867<abc><angles>90.000 90.000 90.000<angles><comp>Sb4 Se4 Br4<comp><coord>Sb 0.250 0.607 0.632 Sb 0.750 0.393 0.368 Sb 0.750 0.893 0.132 Sb 0.250 0.107 0.868 Se 0.250 0.825 0.960 Se 0.750 0.175 0.040 Se 0.750 0.675 0.460 Se 0.250 0.325 0.540 Br 0.250 0.520 0.198 Br 0.750 0.480 0.802 Br 0.750 0.980 0.698 Br 0.250 0.020 0.302 <coord>
|
<forme>-2.31<forme><bg>0.0<bg><abc>3.733 6.459 11.385<abc><angles>103.814 90.000 106.797<angles><comp>Ho3 Sc2 S7<comp><coord>Ho 0.301 0.603 0.187 Ho 0.698 0.397 0.809 Ho 0.112 0.223 0.425 Sc 0.888 0.776 0.579 Sc 1.000 0.999 0.997 S 0.965 0.931 0.209 S 0.032 0.064 0.785 S 0.265 0.530 0.647 S 0.746 0.492 0.357 S 0.653 0.307 0.048 S 0.345 0.690 0.950 S 0.495 0.989 0.504 <coord>
|
<forme>-2.89<forme><bg>0.0<bg><abc>3.985 3.985 6.877<abc><angles>106.840 106.840 90.000<angles><comp>Pu2 Te1 O2<comp><coord>Pu 0.342 0.342 0.684 Pu 0.658 0.658 0.316 Te 0.000 0.000 0.000 O 0.750 0.250 0.500 O 0.250 0.750 0.500 <coord>
|
<forme>-0.61<forme><bg>0.0<bg><abc>4.443 4.443 4.443<abc><angles>60.000 60.000 60.000<angles><comp>Hf1 Ga1 Ru2<comp><coord>Hf 0.000 0.000 0.000 Ga 0.500 0.500 0.500 Ru 0.750 0.750 0.750 Ru 0.250 0.250 0.250 <coord>
|
<forme>-0.52<forme><bg>1.67<bg><abc>5.865 6.919 10.471<abc><angles>90.000 90.000 97.517<angles><comp>Tl6 B2 Se6<comp><coord>Tl 0.281 0.665 0.951 Tl 0.719 0.335 0.451 Tl 0.719 0.335 0.049 Tl 0.281 0.665 0.549 Tl 0.822 0.997 0.750 Tl 0.178 0.003 0.250 B 0.387 0.261 0.750 B 0.613 0.739 0.250 Se 0.754 0.829 0.414 Se 0.246 0.171 0.914 Se 0.246 0.171 0.586 Se 0.754 0.829 0.086 Se 0.328 0.553 0.250 Se 0.672 0.447 0.750 <coord>
|
<forme>-0.29<forme><bg>1.67<bg><abc>7.325 7.325 7.325<abc><angles>105.372 105.372 105.372<angles><comp>Ag6 As2 S6<comp><coord>Ag 0.457 0.876 0.968 Ag 0.957 0.468 0.376 Ag 0.968 0.457 0.876 Ag 0.376 0.957 0.468 Ag 0.876 0.968 0.457 Ag 0.468 0.376 0.957 As 0.413 0.413 0.413 As 0.913 0.913 0.913 S 0.587 0.319 0.662 S 0.087 0.162 0.819 S 0.662 0.587 0.319 S 0.819 0.087 0.162 S 0.319 0.662 0.587 S 0.162 0.819 0.087 <coord>
|
<forme>-1.09<forme><bg>0.0<bg><abc>7.350 8.346 7.499<abc><angles>116.697 90.000 116.125<angles><comp>Ce6 Si2 Pt10<comp><coord>Ce 0.452 0.904 0.730 Ce 0.750 0.500 0.116 Ce 0.548 0.096 0.270 Ce 0.250 0.500 0.884 Ce 0.048 0.096 0.326 Ce 0.952 0.904 0.674 Si 0.750 0.500 0.716 Si 0.250 0.500 0.284 Pt 0.690 0.788 0.958 Pt 0.310 0.212 0.042 Pt 0.402 0.212 0.669 Pt 0.190 0.788 0.331 Pt 0.902 0.212 0.042 Pt 0.810 0.212 0.669 Pt 0.598 0.788 0.331 Pt 0.098 0.788 0.958 Pt 0.500 0.500 0.500 Pt 0.000 0.500 0.500 <coord>
|
<forme>-0.36<forme><bg>0.0<bg><abc>4.749 7.775 7.775<abc><angles>120.000 90.000 90.000<angles><comp>Nd3 Mg3 Tl3<comp><coord>Nd 1.000 0.425 0.425 Nd 1.000 1.000 0.575 Nd 1.000 0.575 0.000 Mg 0.500 0.758 0.758 Mg 0.500 1.000 0.242 Mg 0.500 0.242 1.000 Tl 0.500 0.667 0.333 Tl 0.500 0.333 0.667 Tl 0.000 0.000 0.000 <coord>
|
<forme>-0.4<forme><bg>0.0<bg><abc>4.292 4.292 6.341<abc><angles>109.782 109.782 90.000<angles><comp>Sm1 Ag2 Ge2<comp><coord>Sm 0.000 0.000 0.000 Ag 0.250 0.750 0.500 Ag 0.750 0.250 0.500 Ge 0.390 0.390 0.781 Ge 0.610 0.610 0.219 <coord>
|
<forme>-3.1<forme><bg>1.28<bg><abc>5.623 5.623 8.031<abc><angles>90.000 90.000 90.000<angles><comp>Li1 La1 Nb4 O12<comp><coord>Li 0.000 0.000 0.000 La 0.500 0.500 0.000 Nb 0.000 0.500 0.743 Nb 0.500 0.000 0.743 Nb 0.000 0.500 0.257 Nb 0.500 0.000 0.257 O 0.500 0.000 0.000 O 0.256 0.256 0.227 O 0.744 0.744 0.227 O 0.744 0.744 0.773 O 0.256 0.256 0.773 O 0.000 0.500 0.000 O 0.744 0.256 0.227 O 0.256 0.744 0.227 O 0.256 0.744 0.773 O 0.744 0.256 0.773 O 0.000 0.500 0.500 O 0.500 0.000 0.500 <coord>
|
<forme>-0.6<forme><bg>0.0<bg><abc>4.027 4.027 7.185<abc><angles>90.000 90.000 120.000<angles><comp>Na1 Fe1 Cu1 Se2<comp><coord>Na 0.000 0.000 0.992 Fe 0.667 0.333 0.392 Cu 0.333 0.667 0.616 Se 0.333 0.667 0.265 Se 0.667 0.333 0.734 <coord>
|
<forme>-3.06<forme><bg>3.49<bg><abc>5.486 5.599 7.823<abc><angles>90.000 90.000 89.934<angles><comp>La1 Nd3 Ga4 O12<comp><coord>La 0.492 0.539 0.500 Nd 0.011 0.047 0.500 Nd 0.511 0.450 0.000 Nd 0.990 0.953 0.000 Ga 0.000 0.501 0.248 Ga 0.500 0.998 0.751 Ga 0.000 0.501 0.752 Ga 0.500 0.998 0.249 O 0.584 0.984 0.500 O 0.925 0.478 0.500 O 0.417 0.021 0.000 O 0.085 0.523 0.000 O 0.205 0.796 0.292 O 0.290 0.291 0.709 O 0.791 0.209 0.795 O 0.708 0.708 0.204 O 0.791 0.209 0.205 O 0.708 0.708 0.796 O 0.205 0.796 0.708 O 0.290 0.291 0.291 <coord>
|
<forme>-2.09<forme><bg>2.16<bg><abc>5.905 7.450 7.450<abc><angles>85.514 79.770 79.770<angles><comp>K2 V4 Ag2 O12<comp><coord>K 0.250 0.804 0.196 K 0.750 0.196 0.804 V 0.269 0.876 0.702 V 0.731 0.124 0.298 V 0.231 0.298 0.124 V 0.769 0.702 0.876 Ag 0.250 0.407 0.593 Ag 0.750 0.593 0.407 O 0.490 0.136 0.170 O 0.510 0.864 0.830 O 0.010 0.830 0.864 O 0.990 0.170 0.136 O 0.341 0.719 0.541 O 0.659 0.281 0.459 O 0.159 0.459 0.281 O 0.841 0.541 0.719 O 0.201 0.087 0.610 O 0.799 0.913 0.390 O 0.299 0.390 0.913 O 0.701 0.610 0.087 <coord>
|
<forme>-2.15<forme><bg>0.0<bg><abc>5.418 5.418 7.399<abc><angles>111.478 111.478 90.000<angles><comp>Fe4 P2 O10<comp><coord>Fe 0.875 0.625 0.250 Fe 0.375 0.125 0.750 Fe 0.375 0.625 0.750 Fe 0.375 0.625 0.250 P 0.000 0.000 0.000 P 0.750 0.250 0.500 O 0.250 0.750 0.500 O 0.500 0.500 0.000 O 0.695 0.932 0.865 O 0.068 0.305 0.135 O 0.068 0.830 0.135 O 0.055 0.318 0.635 O 0.170 0.932 0.865 O 0.682 0.420 0.365 O 0.682 0.945 0.365 O 0.580 0.318 0.635 <coord>
|
<forme>-0.46<forme><bg>0.0<bg><abc>5.126 5.126 5.126<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Pm1 Hg2<comp><coord>Li 0.500 0.500 0.500 Pm 0.000 0.000 0.000 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 <coord>
|
<forme>-2.69<forme><bg>3.22<bg><abc>5.333 5.963 7.578<abc><angles>109.994 90.163 116.050<angles><comp>Li2 Fe4 F10<comp><coord>Li 0.435 0.505 0.958 Li 0.585 0.519 0.465 Fe 0.810 0.132 0.126 Fe 0.813 0.133 0.627 Fe 0.178 0.869 0.379 Fe 0.185 0.868 0.880 F 0.168 0.493 0.768 F 0.527 0.243 0.541 F 0.981 0.107 0.368 F 0.205 0.240 0.039 F 0.616 0.114 0.869 F 0.376 0.873 0.135 F 0.796 0.761 0.972 F 0.988 0.869 0.634 F 0.458 0.762 0.474 F 0.820 0.496 0.266 <coord>
|
<forme>-0.57<forme><bg>0.0<bg><abc>5.356 7.317 7.317<abc><angles>90.000 90.000 90.000<angles><comp>Ni9 Bi1 Te1 S8<comp><coord>Ni 0.500 0.000 0.000 Ni 0.751 0.181 0.500 Ni 0.751 0.819 0.500 Ni 0.751 0.500 0.819 Ni 0.751 0.500 0.181 Ni 0.249 0.819 0.500 Ni 0.249 0.181 0.500 Ni 0.249 0.500 0.181 Ni 0.249 0.500 0.819 Bi 0.000 0.000 0.000 Te 0.500 0.500 0.500 S 0.500 0.315 0.000 S 0.500 0.685 0.000 S 0.500 0.000 0.685 S 0.500 0.000 0.315 S 0.000 0.272 0.272 S 0.000 0.728 0.728 S 0.000 0.272 0.728 S 0.000 0.728 0.272 <coord>
|
<forme>-0.93<forme><bg>0.87<bg><abc>4.298 4.298 4.298<abc><angles>60.000 60.000 60.000<angles><comp>Sc1 Co1 Te1<comp><coord>Sc 0.000 0.000 0.000 Co 0.250 0.250 0.250 Te 0.500 0.500 0.500 <coord>
|
<forme>-0.3<forme><bg>0.0<bg><abc>4.205 4.205 4.205<abc><angles>60.000 60.000 60.000<angles><comp>Zn1 Ni1 Sb1<comp><coord>Zn 0.750 0.750 0.750 Ni 0.000 0.000 0.000 Sb 0.250 0.250 0.250 <coord>
|
<forme>-0.79<forme><bg>0.0<bg><abc>4.800 6.944 6.944<abc><angles>120.000 90.000 90.000<angles><comp>V10 P6<comp><coord>V 0.000 0.333 0.667 V 0.000 0.667 0.333 V 0.500 0.667 0.333 V 0.500 0.333 0.667 V 0.250 0.254 1.000 V 0.250 0.746 0.746 V 0.250 1.000 0.254 V 0.750 0.746 0.000 V 0.750 0.254 0.254 V 0.750 0.000 0.746 P 0.250 0.613 1.000 P 0.250 0.387 0.387 P 0.250 0.000 0.613 P 0.750 0.387 0.000 P 0.750 0.613 0.613 P 0.750 1.000 0.387 <coord>
|
<forme>-1.72<forme><bg>4.27<bg><abc>6.107 6.107 6.107<abc><angles>60.000 60.000 60.000<angles><comp>Na1 Cr1 H8 N2 F6<comp><coord>Na 0.500 0.500 0.500 Cr 0.000 0.000 0.000 H 0.819 0.544 0.819 H 0.819 0.819 0.819 H 0.819 0.819 0.544 H 0.544 0.819 0.819 H 0.456 0.181 0.181 H 0.181 0.456 0.181 H 0.181 0.181 0.456 H 0.181 0.181 0.181 N 0.750 0.750 0.750 N 0.250 0.250 0.250 F 0.774 0.226 0.226 F 0.774 0.226 0.774 F 0.774 0.774 0.226 F 0.226 0.226 0.774 F 0.226 0.774 0.774 F 0.226 0.774 0.226 <coord>
|
<forme>-0.64<forme><bg>0.0<bg><abc>4.488 4.488 4.488<abc><angles>60.000 60.000 60.000<angles><comp>Ti1 In1 Rh2<comp><coord>Ti 0.500 0.500 0.500 In 0.000 0.000 0.000 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750 <coord>
|
<forme>-0.23<forme><bg>0.0<bg><abc>3.638 3.638 3.638<abc><angles>90.000 90.000 90.000<angles><comp>Ta1 Co3<comp><coord>Ta 0.000 0.000 0.000 Co 0.000 0.500 0.500 Co 0.500 0.500 0.000 Co 0.500 0.000 0.500 <coord>
|
<forme>-0.55<forme><bg>0.0<bg><abc>3.324 6.978 6.978<abc><angles>120.000 90.000 90.000<angles><comp>Zr3 Ga3 Co3<comp><coord>Zr 0.500 0.598 1.000 Zr 0.500 0.402 0.402 Zr 0.500 0.000 0.598 Ga 1.000 0.263 0.000 Ga 1.000 0.737 0.737 Ga 1.000 0.000 0.263 Co 1.000 0.333 0.667 Co 1.000 0.667 0.333 Co 0.500 0.000 0.000 <coord>
|
<forme>-2.13<forme><bg>1.87<bg><abc>6.312 6.312 6.312<abc><angles>91.251 91.251 91.251<angles><comp>Mn6 W2 O12<comp><coord>Mn 0.557 0.250 0.061 Mn 0.061 0.557 0.250 Mn 0.443 0.750 0.939 Mn 0.750 0.939 0.443 Mn 0.939 0.443 0.750 Mn 0.250 0.061 0.557 W 0.000 0.000 0.000 W 0.500 0.500 0.500 O 0.294 0.072 0.934 O 0.934 0.294 0.072 O 0.072 0.934 0.294 O 0.706 0.928 0.066 O 0.066 0.706 0.928 O 0.928 0.066 0.706 O 0.410 0.551 0.207 O 0.207 0.410 0.551 O 0.449 0.793 0.590 O 0.793 0.590 0.449 O 0.590 0.449 0.793 O 0.551 0.207 0.410 <coord>
|
<forme>-0.59<forme><bg>0.0<bg><abc>3.999 4.027 8.605<abc><angles>103.533 90.000 90.000<angles><comp>Ce2 Fe2 Si4<comp><coord>Ce 0.750 0.389 0.779 Ce 0.250 0.611 0.221 Fe 0.750 0.175 0.351 Fe 0.250 0.825 0.649 Si 0.750 0.040 0.080 Si 0.250 0.960 0.920 Si 0.750 0.750 0.500 Si 0.250 0.250 0.500 <coord>
|
<forme>-0.41<forme><bg>0.91<bg><abc>4.070 4.070 6.929<abc><angles>90.000 90.000 90.000<angles><comp>Na2 Zn2 P2<comp><coord>Na 0.000 0.500 0.644 Na 0.500 0.000 0.356 Zn 0.000 0.000 0.000 Zn 0.500 0.500 0.000 P 0.500 0.000 0.788 P 0.000 0.500 0.212 <coord>
|
<forme>-2.06<forme><bg>0.0<bg><abc>4.460 5.031 5.167<abc><angles>60.866 89.619 89.217<angles><comp>Cu2 F6 Li1<comp><coord>Cu 0.000 0.334 0.332 Cu 0.000 0.666 0.668 F 0.235 0.647 0.347 F 0.767 0.658 1.000 F 0.233 0.342 0.000 F 0.235 0.994 0.653 F 0.765 0.006 0.347 F 0.765 0.353 0.653 Li 0.500 0.000 0.000 <coord>
|
<forme>-2.4<forme><bg>4.74<bg><abc>4.384 6.701 7.003<abc><angles>90.000 90.000 90.000<angles><comp>Ca2 Br4<comp><coord>Ca 0.000 0.000 0.000 Ca 0.500 0.500 0.500 Br 0.000 0.276 0.327 Br 0.000 0.724 0.673 Br 0.500 0.776 0.173 Br 0.500 0.224 0.827 <coord>
|
<forme>-0.75<forme><bg>0.05<bg><abc>4.884 4.884 9.161<abc><angles>105.460 105.460 90.000<angles><comp>Ca4 Bi2<comp><coord>Ca 0.673 0.673 0.347 Ca 0.000 0.500 1.000 Ca 0.327 0.327 0.653 Ca 0.500 0.000 0.000 Bi 0.137 0.137 0.273 Bi 0.863 0.863 0.727 <coord>
|
<forme>0.0<forme><bg>0.0<bg><abc>3.064 3.064 7.630<abc><angles>78.418 78.418 60.000<angles><comp>Li3<comp><coord>Li 0.778 0.778 0.666 Li 0.222 0.222 0.334 Li 0.000 0.000 0.000 <coord>
|
<forme>-0.46<forme><bg>0.0<bg><abc>4.819 4.819 4.819<abc><angles>60.000 60.000 60.000<angles><comp>Tm1 Pa1 Ru2<comp><coord>Tm 0.000 0.000 0.000 Pa 0.500 0.500 0.500 Ru 0.750 0.750 0.750 Ru 0.250 0.250 0.250 <coord>
|
<forme>-2.2<forme><bg>0.0<bg><abc>3.796 6.709 11.645<abc><angles>104.168 90.000 106.432<angles><comp>Y4 U1 S7<comp><coord>Y 0.300 0.600 0.188 Y 0.699 0.397 0.811 Y 0.884 0.767 0.577 Y 0.000 0.001 0.999 U 0.115 0.230 0.423 S 0.959 0.917 0.215 S 0.042 0.084 0.785 S 0.260 0.520 0.650 S 0.742 0.484 0.350 S 0.500 1.000 0.501 S 0.659 0.318 0.051 S 0.341 0.682 0.949 <coord>
|
<forme>-0.29<forme><bg>0.0<bg><abc>4.619 5.681 6.544<abc><angles>90.000 90.000 113.988<angles><comp>Ce2 Zn6<comp><coord>Ce 0.102 0.203 0.750 Ce 0.898 0.797 0.250 Zn 0.200 0.400 0.250 Zn 0.619 0.238 0.444 Zn 0.381 0.762 0.556 Zn 0.619 0.238 0.056 Zn 0.381 0.762 0.944 Zn 0.800 0.600 0.750 <coord>
|
<forme>-0.5<forme><bg>0.52<bg><abc>7.723 7.723 8.616<abc><angles>90.000 90.000 90.000<angles><comp>Ba4 Ge8 P8<comp><coord>Ba 0.000 0.500 0.528 Ba 0.500 0.000 0.028 Ba 0.000 0.000 0.497 Ba 0.000 0.000 0.997 Ge 0.500 0.167 0.616 Ge 0.833 0.500 0.116 Ge 0.167 0.500 0.116 Ge 0.500 0.833 0.616 Ge 0.500 0.332 0.365 Ge 0.332 0.500 0.865 Ge 0.668 0.500 0.865 Ge 0.500 0.668 0.365 P 0.249 0.234 0.756 P 0.751 0.766 0.756 P 0.234 0.751 0.256 P 0.766 0.249 0.256 P 0.751 0.234 0.756 P 0.234 0.249 0.256 P 0.766 0.751 0.256 P 0.249 0.766 0.756 <coord>
|
<forme>-0.61<forme><bg>0.0<bg><abc>4.667 4.667 4.667<abc><angles>60.000 60.000 60.000<angles><comp>Sc1 Zn1 Au2<comp><coord>Sc 0.500 0.500 0.500 Zn 0.000 0.000 0.000 Au 0.250 0.250 0.250 Au 0.750 0.750 0.750 <coord>
|
<forme>-2.62<forme><bg>2.05<bg><abc>5.648 5.667 5.705<abc><angles>119.476 90.154 119.507<angles><comp>Ca2 Sn1 W1 O6<comp><coord>Ca 0.776 0.543 0.298 Ca 0.278 0.545 0.804 Sn 0.506 0.005 0.489 W 0.005 0.003 0.986 O 0.651 0.492 0.708 O 0.358 0.509 0.212 O 0.156 0.885 0.209 O 0.746 0.084 0.218 O 0.229 0.883 0.710 O 0.852 0.085 0.722 <coord>
|
<forme>-0.33<forme><bg>0.0<bg><abc>3.713 5.771 6.960<abc><angles>90.000 90.000 90.000<angles><comp>Mn4 Co4 Si2 Ge2<comp><coord>Mn 0.500 0.468 0.067 Mn 0.500 0.968 0.933 Mn 0.000 0.523 0.441 Mn 0.000 0.023 0.559 Co 0.500 0.348 0.682 Co 0.500 0.848 0.318 Co 0.000 0.665 0.803 Co 0.000 0.165 0.197 Si 0.500 0.734 0.626 Si 0.500 0.234 0.374 Ge 0.000 0.263 0.870 Ge 0.000 0.763 0.130 <coord>
|
<forme>-1.11<forme><bg>0.86<bg><abc>3.220 3.220 36.375<abc><angles>90.000 90.000 120.000<angles><comp>Mo2 W2 Se2 S6<comp><coord>Mo 0.000 0.000 0.906 Mo 0.667 0.333 0.718 W 0.000 0.000 0.530 W 0.667 0.333 0.342 Se 0.000 0.000 0.671 Se 0.000 0.000 0.765 S 0.000 0.000 0.300 S 0.667 0.333 0.949 S 0.667 0.333 0.573 S 0.667 0.333 0.863 S 0.667 0.333 0.487 S 0.000 0.000 0.385 <coord>
|
<forme>-2.11<forme><bg>1.62<bg><abc>7.435 7.435 7.435<abc><angles>108.980 109.717 109.717<angles><comp>Nd5 Ag1 S8<comp><coord>Nd 0.118 0.883 0.498 Nd 0.615 0.235 0.117 Nd 0.882 0.379 0.765 Nd 0.500 0.750 0.250 Nd 0.385 0.502 0.621 Ag 0.000 0.000 0.000 S 0.749 0.631 0.023 S 0.106 0.498 0.239 S 0.609 0.977 0.726 S 0.391 0.118 0.369 S 0.259 0.761 0.868 S 0.894 0.132 0.392 S 0.251 0.274 0.882 S 0.741 0.608 0.502 <coord>
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.