text stringlengths 140 560 |
|---|
<forme>-0.65<forme><bg>0.0<bg><abc>6.417 9.340 9.340<abc><angles>120.000 90.000 90.000<angles><comp>Tb10 Cu2 Bi6<comp><coord>Tb 0.500 0.333 0.667 Tb 0.500 0.667 0.333 Tb 0.000 0.667 0.333 Tb 0.000 0.333 0.667 Tb 0.750 0.256 0.000 Tb 0.750 0.744 0.744 Tb 0.750 0.000 0.256 Tb 0.250 0.744 0.000 Tb 0.250 0.256 0.256 Tb 0.250 0.000 0.744 Cu 0.500 0.000 0.000 Cu 0.000 0.000 0.000 Bi 0.750 0.615 0.000 Bi 0.750 0.385 0.385 Bi 0.750 0.000 0.615 Bi 0.250 0.385 0.000 Bi 0.250 0.615 0.615 Bi 0.250 1.000 0.385 <coord> |
<forme>-1.57<forme><bg>1.05<bg><abc>7.313 7.313 7.313<abc><angles>60.000 60.000 60.000<angles><comp>K2 Ag1 Mo1 Cl6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 Ag 0.500 0.500 0.500 Mo 0.000 0.000 0.000 Cl 0.238 0.762 0.238 Cl 0.238 0.238 0.762 Cl 0.762 0.238 0.762 Cl 0.238 0.762 0.762 Cl 0.762 0.238 0.238 Cl 0.762 0.762 0.238 <coord> |
<forme>-0.16<forme><bg>5.28<bg><abc>4.311 5.815 6.619<abc><angles>90.000 90.000 105.549<angles><comp>B4 H12<comp><coord>B 0.497 0.358 0.542 B 0.003 0.142 0.042 B 0.503 0.642 0.458 B 0.997 0.858 0.958 H 0.718 0.332 0.641 H 0.782 0.168 0.141 H 0.282 0.668 0.359 H 0.218 0.832 0.859 H 0.274 0.192 0.501 H 0.226 0.308 0.001 H 0.726 0.808 0.499 H 0.774 0.692 0.999 H 0.386 0.527 0.625 H 0.114 0.973 0.125 H 0.614 0.473 0.375 H 0.886 0.027 0.875 <coord> |
<forme>-0.77<forme><bg>0.0<bg><abc>4.569 7.662 8.625<abc><angles>90.000 90.000 90.000<angles><comp>Sr4 In4 Pt4<comp><coord>Sr 0.750 0.970 0.679 Sr 0.250 0.030 0.321 Sr 0.750 0.470 0.821 Sr 0.250 0.530 0.179 In 0.750 0.353 0.435 In 0.250 0.147 0.935 In 0.250 0.647 0.565 In 0.750 0.853 0.065 Pt 0.250 0.778 0.879 Pt 0.250 0.278 0.621 Pt 0.750 0.722 0.379 Pt 0.750 0.222 0.121 <coord> |
<forme>0.02<forme><bg>0.0<bg><abc>5.062 5.062 6.192<abc><angles>114.125 114.125 90.000<angles><comp>Pm1 Dy3<comp><coord>Pm 0.000 0.000 0.000 Dy 0.750 0.250 0.500 Dy 0.250 0.750 0.500 Dy 0.500 0.500 0.000 <coord> |
<forme>-3.37<forme><bg>5.56<bg><abc>5.500 5.500 7.054<abc><angles>103.206 103.206 106.168<angles><comp>Ca2 Mg2 P2 O8 F2<comp><coord>Ca 0.337 0.663 0.750 Ca 0.663 0.337 0.250 Mg 0.000 0.000 0.500 Mg 0.000 0.000 0.000 P 0.679 0.321 0.750 P 0.321 0.679 0.250 O 0.402 0.259 0.593 O 0.598 0.741 0.407 O 0.741 0.598 0.907 O 0.259 0.402 0.093 O 0.673 0.112 0.868 O 0.327 0.888 0.132 O 0.888 0.327 0.632 O 0.112 0.673 0.368 F 0.083 0.917 0.750 F 0.917 0.083 0.250 <coord> |
<forme>-0.82<forme><bg>0.38<bg><abc>5.618 5.618 5.618<abc><angles>90.000 90.000 90.000<angles><comp>Rb3 Au1 O1<comp><coord>Rb 0.000 0.500 0.500 Rb 0.500 0.500 0.000 Rb 0.500 0.000 0.500 Au 0.000 0.000 0.000 O 0.500 0.500 0.500 <coord> |
<forme>-1.41<forme><bg>0.0<bg><abc>6.290 6.290 6.290<abc><angles>109.414 109.406 109.440<angles><comp>Mn4 Cu3 O12<comp><coord>Mn 1.000 0.500 0.000 Mn 0.500 0.000 0.000 Mn 1.000 1.000 0.500 Mn 0.500 0.500 0.500 Cu 1.000 0.500 0.500 Cu 0.500 0.500 0.000 Cu 0.500 1.000 0.500 O 0.682 0.818 0.504 O 0.317 0.821 0.138 O 0.683 0.179 0.862 O 0.862 0.683 0.179 O 0.821 0.138 0.317 O 0.179 0.862 0.683 O 0.504 0.682 0.818 O 0.818 0.504 0.682 O 0.318 0.182 0.496 O 0.496 0.318 0.182 O 0.138 0.317 0.821 O 0.182 0.496 0.318 <coord> |
<forme>-0.93<forme><bg>0.0<bg><abc>4.202 4.202 4.202<abc><angles>90.000 90.000 90.000<angles><comp>Ti3 In1 N1<comp><coord>Ti 0.000 0.500 0.500 Ti 0.500 0.500 0.000 Ti 0.500 0.000 0.500 In 0.000 0.000 0.000 N 0.500 0.500 0.500 <coord> |
<forme>-0.21<forme><bg>0.0<bg><abc>5.085 7.890 7.890<abc><angles>84.041 71.203 71.203<angles><comp>Ti8 Cr2 Bi4<comp><coord>Ti 0.920 0.272 0.888 Ti 0.080 0.728 0.112 Ti 0.192 0.888 0.728 Ti 0.580 0.112 0.728 Ti 0.808 0.112 0.272 Ti 0.420 0.888 0.272 Ti 0.308 0.272 0.112 Ti 0.692 0.728 0.888 Cr 0.250 1.000 0.000 Cr 0.750 1.000 0.000 Bi 0.861 0.778 0.500 Bi 0.139 0.222 0.500 Bi 0.639 0.500 0.222 Bi 0.361 0.500 0.778 <coord> |
<forme>-0.88<forme><bg>0.0<bg><abc>5.139 5.139 5.139<abc><angles>66.285 66.285 66.285<angles><comp>Y2 Ge1 Rh3<comp><coord>Y 0.371 0.371 0.371 Y 0.629 0.629 0.629 Ge 0.000 0.000 0.000 Rh 0.000 0.000 0.500 Rh 0.000 0.500 0.000 Rh 0.500 0.000 0.000 <coord> |
<forme>-0.99<forme><bg>0.0<bg><abc>3.819 3.819 6.092<abc><angles>108.265 108.265 90.000<angles><comp>La1 Fe2 P2<comp><coord>La 0.000 0.000 0.000 Fe 0.750 0.250 0.500 Fe 0.250 0.750 0.500 P 0.649 0.649 0.299 P 0.351 0.351 0.701 <coord> |
<forme>-0.96<forme><bg>0.0<bg><abc>4.605 4.605 4.605<abc><angles>60.000 60.000 60.000<angles><comp>Hf1 Sc1 Rh2<comp><coord>Hf 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750 <coord> |
<forme>-0.82<forme><bg>0.0<bg><abc>4.574 4.574 4.574<abc><angles>60.000 60.000 60.000<angles><comp>Dy1 Ga1 Rh2<comp><coord>Dy 0.500 0.500 0.500 Ga 0.000 0.000 0.000 Rh 0.750 0.750 0.750 Rh 0.250 0.250 0.250 <coord> |
<forme>-0.1<forme><bg>0.0<bg><abc>4.497 4.497 4.497<abc><angles>60.000 60.000 60.000<angles><comp>Hf1 Cd1 Cu2<comp><coord>Hf 0.000 0.000 0.000 Cd 0.500 0.500 0.500 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750 <coord> |
<forme>-2.72<forme><bg>0.61<bg><abc>5.190 5.417 7.444<abc><angles>92.995 90.000 90.000<angles><comp>V4 O5 F7<comp><coord>V 0.469 0.524 0.494 V 0.469 0.476 0.006 V 0.971 0.035 0.491 V 0.971 0.965 0.009 O 0.218 0.704 0.456 O 0.218 0.296 0.044 O 0.806 0.706 0.962 O 0.806 0.294 0.538 O 0.922 1.000 0.250 F 0.087 0.000 0.750 F 0.306 0.803 0.048 F 0.306 0.197 0.452 F 0.410 0.500 0.750 F 0.610 0.500 0.250 F 0.715 0.795 0.554 F 0.715 0.205 0.946 <coord> |
<forme>-0.77<forme><bg>0.13<bg><abc>3.965 3.965 6.495<abc><angles>90.000 90.000 120.000<angles><comp>Er1 Zn1 Cu1 P2<comp><coord>Er 0.000 0.000 0.016 Zn 0.667 0.333 0.624 Cu 0.333 0.667 0.361 P 0.333 0.667 0.747 P 0.667 0.333 0.251 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>4.201 4.201 7.059<abc><angles>90.000 90.000 120.000<angles><comp>Eu1 Al2 Si2<comp><coord>Eu 0.000 0.000 0.000 Al 0.333 0.667 0.633 Al 0.667 0.333 0.367 Si 0.333 0.667 0.267 Si 0.667 0.333 0.733 <coord> |
<forme>-2.22<forme><bg>1.81<bg><abc>3.151 3.151 11.885<abc><angles>90.000 90.000 120.000<angles><comp>Al2 Rh2 O6<comp><coord>Al 0.667 0.333 0.750 Al 0.333 0.667 0.250 Rh 0.000 0.000 0.000 Rh 0.000 0.000 0.500 O 0.667 0.333 0.914 O 0.000 0.000 0.750 O 0.667 0.333 0.586 O 0.000 0.000 0.250 O 0.333 0.667 0.414 O 0.333 0.667 0.086 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>2.715 2.715 5.246<abc><angles>90.000 90.000 90.000<angles><comp>Be1 Co2 Si1<comp><coord>Be 0.000 0.000 0.000 Co 0.500 0.500 0.245 Co 0.500 0.500 0.755 Si 0.000 0.000 0.500 <coord> |
<forme>-0.61<forme><bg>0.45<bg><abc>4.324 4.324 18.272<abc><angles>90.000 90.000 120.000<angles><comp>Sr2 In4 As4<comp><coord>Sr 0.000 0.000 0.000 Sr 0.000 0.000 0.500 In 0.333 0.667 0.173 In 0.667 0.333 0.827 In 0.667 0.333 0.673 In 0.333 0.667 0.327 As 0.333 0.667 0.608 As 0.667 0.333 0.392 As 0.667 0.333 0.108 As 0.333 0.667 0.892 <coord> |
<forme>-1.7<forme><bg>0.25<bg><abc>6.701 6.709 6.709<abc><angles>60.198 60.041 60.041<angles><comp>Ca6 Ge2 O2<comp><coord>Ca 0.772 0.228 0.728 Ca 0.728 0.772 0.272 Ca 0.272 0.228 0.728 Ca 0.228 0.772 0.272 Ca 0.250 0.293 0.207 Ca 0.750 0.707 0.793 Ge 0.250 0.752 0.748 Ge 0.750 0.248 0.252 O 0.500 0.000 1.000 O 0.000 0.500 0.500 <coord> |
<forme>-1.05<forme><bg>0.04<bg><abc>7.102 7.102 7.102<abc><angles>60.000 60.000 60.000<angles><comp>Zn2 Cr4 S8<comp><coord>Zn 0.000 0.000 0.000 Zn 0.750 0.750 0.750 Cr 0.875 0.375 0.375 Cr 0.375 0.875 0.375 Cr 0.375 0.375 0.375 Cr 0.375 0.375 0.875 S 0.136 0.593 0.136 S 0.593 0.136 0.136 S 0.614 0.614 0.157 S 0.614 0.157 0.614 S 0.157 0.614 0.614 S 0.136 0.136 0.593 S 0.136 0.136 0.136 S 0.614 0.614 0.614 <coord> |
<forme>-2.75<forme><bg>1.22<bg><abc>4.008 5.824 5.824<abc><angles>90.000 90.000 90.000<angles><comp>Sr2 Ta2 N2 O4<comp><coord>Sr 0.500 0.765 0.519 Sr 0.500 0.235 0.019 Ta 0.000 0.733 0.017 Ta 0.000 0.267 0.517 N 0.000 0.488 0.759 N 0.000 0.512 0.259 O 0.500 0.770 0.989 O 0.000 0.983 0.717 O 0.000 0.017 0.217 O 0.500 0.230 0.489 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>6.750 6.932 6.871<abc><angles>90.000 71.028 90.000<angles><comp>Ho4 Si8 Mo6<comp><coord>Ho 0.561 0.331 0.809 Ho 0.939 0.831 0.191 Ho 0.439 0.669 0.191 Ho 0.061 0.169 0.809 Si 0.868 0.544 0.910 Si 0.632 0.044 0.090 Si 0.132 0.456 0.090 Si 0.368 0.956 0.910 Si 0.871 0.132 0.496 Si 0.629 0.632 0.504 Si 0.129 0.868 0.504 Si 0.371 0.368 0.496 Mo 0.000 0.500 0.500 Mo 0.500 0.000 0.500 Mo 0.749 0.837 0.751 Mo 0.751 0.337 0.249 Mo 0.251 0.163 0.249 Mo 0.249 0.663 0.751 <coord> |
<forme>-1.71<forme><bg>1.91<bg><abc>5.506 5.675 6.898<abc><angles>65.710 90.000 90.000<angles><comp>Sb2 Pb2 Cl2 O4<comp><coord>Sb 0.750 0.078 0.844 Sb 0.250 0.922 0.156 Pb 0.750 0.381 0.237 Pb 0.250 0.619 0.763 Cl 0.250 0.253 0.494 Cl 0.750 0.747 0.506 O 0.500 0.772 0.000 O 1.000 0.228 0.000 O 0.500 0.228 0.000 O 1.000 0.772 0.000 <coord> |
<forme>-0.54<forme><bg>0.0<bg><abc>4.466 4.566 8.707<abc><angles>105.199 90.000 90.000<angles><comp>Th2 Sn4<comp><coord>Th 0.250 0.102 0.205 Th 0.750 0.898 0.795 Sn 0.250 0.439 0.877 Sn 0.750 0.561 0.123 Sn 0.250 0.749 0.498 Sn 0.750 0.251 0.502 <coord> |
<forme>-2.85<forme><bg>0.0<bg><abc>5.301 5.651 7.578<abc><angles>90.005 89.727 89.998<angles><comp>Y4 Mn2 Co2 O12<comp><coord>Y 0.020 0.071 0.750 Y 0.520 0.429 0.250 Y 0.980 0.929 0.250 Y 0.480 0.571 0.750 Mn 1.000 0.500 0.500 Mn 0.500 0.000 0.000 Co 0.500 0.000 0.500 Co 0.000 0.500 0.000 O 0.890 0.461 0.744 O 0.390 0.039 0.244 O 0.110 0.539 0.256 O 0.610 0.961 0.756 O 0.703 0.687 0.447 O 0.203 0.813 0.947 O 0.297 0.313 0.553 O 0.797 0.187 0.053 O 0.818 0.208 0.442 O 0.318 0.292 0.942 O 0.182 0.792 0.558 O 0.682 0.708 0.058 <coord> |
<forme>-0.82<forme><bg>0.0<bg><abc>4.102 4.239 8.574<abc><angles>75.687 90.000 90.000<angles><comp>La2 Si4 Ni2<comp><coord>La 0.250 0.892 0.215 La 0.750 0.108 0.785 Si 0.250 0.541 0.918 Si 0.750 0.459 0.082 Si 0.250 0.250 0.500 Si 0.750 0.750 0.500 Ni 0.250 0.682 0.636 Ni 0.750 0.318 0.364 <coord> |
<forme>-3.61<forme><bg>0.0<bg><abc>5.478 5.711 7.823<abc><angles>90.000 90.000 90.000<angles><comp>La2 Y2 Ti4 O12<comp><coord>La 0.236 0.446 0.500 La 0.764 0.946 0.500 Y 0.263 0.569 0.000 Y 0.737 0.069 0.000 Ti 0.751 0.502 0.756 Ti 0.249 0.002 0.244 Ti 0.751 0.502 0.244 Ti 0.249 0.002 0.756 O 0.137 0.960 0.000 O 0.863 0.460 0.000 O 0.329 0.017 0.500 O 0.671 0.517 0.500 O 0.553 0.801 0.809 O 0.447 0.301 0.191 O 0.946 0.201 0.289 O 0.054 0.701 0.711 O 0.946 0.201 0.711 O 0.054 0.701 0.289 O 0.553 0.801 0.191 O 0.447 0.301 0.809 <coord> |
<forme>-0.17<forme><bg>0.0<bg><abc>4.716 4.716 5.759<abc><angles>90.000 90.000 120.000<angles><comp>In2 Au3<comp><coord>In 0.333 0.667 0.674 In 0.667 0.333 0.326 Au 0.333 0.667 0.185 Au 0.667 0.333 0.815 Au 0.000 0.000 0.000 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>5.547 5.547 6.478<abc><angles>115.350 115.350 90.000<angles><comp>Cr10 B4 P2<comp><coord>Cr 0.500 0.500 0.000 Cr 0.000 0.000 0.000 Cr 0.192 0.030 0.722 Cr 0.530 0.692 0.722 Cr 0.692 0.192 0.722 Cr 0.030 0.530 0.722 Cr 0.808 0.970 0.278 Cr 0.470 0.308 0.278 Cr 0.308 0.808 0.278 Cr 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>-0.52<forme><bg>0.0<bg><abc>3.995 5.964 7.194<abc><angles>90.000 90.000 109.570<angles><comp>Th2 Si2 Os4 C2<comp><coord>Th 0.447 0.893 0.750 Th 0.553 0.107 0.250 Si 0.728 0.455 0.750 Si 0.272 0.545 0.250 Os 0.166 0.331 0.944 Os 0.834 0.669 0.056 Os 0.834 0.669 0.444 Os 0.166 0.331 0.556 C 0.000 0.000 0.000 C 0.000 0.000 0.500 <coord> |
<forme>-0.09<forme><bg>0.0<bg><abc>4.369 5.537 5.537<abc><angles>120.000 90.000 90.000<angles><comp>Re2 Os6<comp><coord>Re 0.250 0.667 0.333 Re 0.750 0.333 0.667 Os 0.750 0.833 0.167 Os 0.750 0.335 0.167 Os 0.750 0.833 0.665 Os 0.250 0.167 0.833 Os 0.250 0.665 0.833 Os 0.250 0.167 0.335 <coord> |
<forme>-0.84<forme><bg>0.0<bg><abc>4.863 4.863 4.863<abc><angles>60.000 60.000 60.000<angles><comp>Gd1 Er1 Rh2<comp><coord>Gd 0.500 0.500 0.500 Er 0.000 0.000 0.000 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>5.197 5.197 5.666<abc><angles>90.000 90.000 90.000<angles><comp>Pd8 S2<comp><coord>Pd 0.768 0.353 0.843 Pd 0.853 0.268 0.343 Pd 0.147 0.732 0.343 Pd 0.647 0.768 0.157 Pd 0.268 0.147 0.657 Pd 0.732 0.853 0.657 Pd 0.232 0.647 0.843 Pd 0.353 0.232 0.157 S 0.500 0.500 0.500 S 0.000 0.000 0.000 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>3.967 4.087 4.087<abc><angles>90.000 90.000 90.000<angles><comp>In1 Pd3<comp><coord>In 0.000 0.000 0.000 Pd 0.000 0.500 0.500 Pd 0.500 0.500 0.000 Pd 0.500 0.000 0.500 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>5.437 5.437 5.437<abc><angles>60.000 60.000 60.000<angles><comp>Eu2 Cd1 Ge1<comp><coord>Eu 0.750 0.750 0.750 Eu 0.250 0.250 0.250 Cd 0.500 0.500 0.500 Ge 0.000 0.000 0.000 <coord> |
<forme>-0.48<forme><bg>0.0<bg><abc>3.847 3.847 6.168<abc><angles>90.000 90.000 120.000<angles><comp>Cr1 Te2<comp><coord>Cr 0.000 0.000 0.500 Te 0.333 0.667 0.752 Te 0.667 0.333 0.248 <coord> |
<forme>-0.34<forme><bg>0.17<bg><abc>6.936 7.261 8.216<abc><angles>90.000 90.000 90.000<angles><comp>Ag6 P2 Se8<comp><coord>Ag 0.014 0.812 0.739 Ag 0.514 0.188 0.761 Ag 0.514 0.188 0.239 Ag 0.014 0.812 0.261 Ag 0.984 0.356 0.000 Ag 0.484 0.644 0.500 P 0.996 0.317 0.500 P 0.496 0.683 0.000 Se 0.892 0.165 0.274 Se 0.392 0.835 0.226 Se 0.373 0.395 0.000 Se 0.873 0.605 0.500 Se 0.392 0.835 0.774 Se 0.892 0.165 0.726 Se 0.321 0.311 0.500 Se 0.821 0.689 0.000 <coord> |
<forme>-1.21<forme><bg>1.71<bg><abc>3.888 5.868 8.037<abc><angles>109.305 90.000 90.000<angles><comp>La2 W2 N6<comp><coord>La 0.750 0.756 0.814 La 0.250 0.244 0.186 W 0.750 0.857 0.331 W 0.250 0.143 0.669 N 0.750 0.959 0.134 N 0.250 0.041 0.866 N 0.750 0.025 0.609 N 0.250 0.975 0.391 N 0.750 0.531 0.261 N 0.250 0.469 0.739 <coord> |
<forme>-1.69<forme><bg>0.0<bg><abc>5.975 5.975 5.975<abc><angles>60.000 60.000 60.000<angles><comp>Li2 Fe4 O8<comp><coord>Li 0.375 0.875 0.875 Li 0.625 0.125 0.125 Fe 0.500 0.500 0.500 Fe 0.000 0.500 0.500 Fe 0.000 0.500 1.000 Fe 0.000 1.000 0.500 O 0.238 0.285 0.738 O 0.215 0.262 0.262 O 0.762 0.715 0.262 O 0.238 0.738 0.738 O 0.785 0.738 0.738 O 0.762 0.262 0.715 O 0.762 0.262 0.262 O 0.238 0.738 0.285 <coord> |
<forme>-0.85<forme><bg>0.0<bg><abc>6.401 8.320 8.320<abc><angles>120.000 90.000 90.000<angles><comp>Cs2 Ta2 Te6<comp><coord>Cs 0.249 0.333 0.667 Cs 0.749 0.667 0.333 Ta 0.530 1.000 1.000 Ta 0.030 0.000 0.000 Te 0.757 0.679 0.839 Te 0.757 0.161 0.321 Te 0.757 0.161 0.839 Te 0.257 0.321 0.161 Te 0.257 0.839 0.679 Te 0.257 0.839 0.161 <coord> |
<forme>-1.12<forme><bg>0.62<bg><abc>3.514 3.514 6.181<abc><angles>90.000 90.000 120.000<angles><comp>Fe1 Cl2<comp><coord>Fe 0.000 0.000 0.000 Cl 0.333 0.667 0.227 Cl 0.667 0.333 0.773 <coord> |
<forme>-2.58<forme><bg>0.0<bg><abc>5.596 5.685 7.944<abc><angles>89.748 90.039 89.948<angles><comp>La4 Zn1 Cu1 Rh2 O12<comp><coord>La 0.990 0.449 0.751 La 0.509 0.950 0.752 La 0.010 0.551 0.249 La 0.491 0.050 0.248 Zn 0.000 0.000 0.500 Cu 0.500 0.500 0.000 Rh 0.500 0.500 0.500 Rh 0.000 0.000 0.000 O 0.089 0.023 0.752 O 0.411 0.523 0.749 O 0.911 0.977 0.248 O 0.589 0.477 0.251 O 0.801 0.707 0.953 O 0.696 0.208 0.546 O 0.207 0.301 0.454 O 0.296 0.799 0.047 O 0.199 0.293 0.047 O 0.304 0.792 0.454 O 0.793 0.699 0.546 O 0.704 0.201 0.953 <coord> |
<forme>-0.15<forme><bg>0.0<bg><abc>5.588 6.793 6.793<abc><angles>120.000 90.000 90.000<angles><comp>Tm6 Tl2<comp><coord>Tm 0.750 0.832 0.168 Tm 0.750 0.336 0.168 Tm 0.750 0.832 0.664 Tm 0.250 0.168 0.832 Tm 0.250 0.664 0.832 Tm 0.250 0.168 0.336 Tl 0.250 0.667 0.333 Tl 0.750 0.333 0.667 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>4.038 5.233 5.233<abc><angles>60.000 90.000 90.000<angles><comp>Yb1 Ga2 Cu3<comp><coord>Yb 0.000 0.000 0.000 Ga 1.000 0.333 0.333 Ga 0.000 0.667 0.667 Cu 0.500 0.000 0.500 Cu 0.500 0.500 0.500 Cu 0.500 0.500 0.000 <coord> |
<forme>-0.52<forme><bg>0.0<bg><abc>4.914 4.914 4.914<abc><angles>60.000 60.000 60.000<angles><comp>Ca1 Au3<comp><coord>Ca 0.000 0.000 0.000 Au 0.750 0.750 0.750 Au 0.250 0.250 0.250 Au 0.500 0.500 0.500 <coord> |
<forme>-2.21<forme><bg>4.37<bg><abc>6.230 7.009 7.670<abc><angles>113.002 90.000 116.387<angles><comp>K4 Mo2 O8<comp><coord>K 0.490 0.981 0.765 K 0.510 0.019 0.235 K 0.843 0.687 0.251 K 0.157 0.313 0.749 Mo 0.824 0.648 0.772 Mo 0.176 0.352 0.228 O 0.621 0.714 0.922 O 0.907 0.286 0.078 O 0.379 0.286 0.078 O 0.093 0.714 0.922 O 0.089 0.178 0.362 O 0.911 0.822 0.638 O 0.667 0.334 0.616 O 0.333 0.666 0.384 <coord> |
<forme>-1.53<forme><bg>0.0<bg><abc>3.891 3.891 13.698<abc><angles>98.165 98.165 90.000<angles><comp>Ce3 Cu4 P4 O2<comp><coord>Ce 0.298 0.298 0.596 Ce 0.702 0.702 0.404 Ce 0.000 0.000 0.000 Cu 0.598 0.098 0.196 Cu 0.402 0.902 0.804 Cu 0.098 0.598 0.196 Cu 0.902 0.402 0.804 P 0.455 0.455 0.910 P 0.545 0.545 0.090 P 0.147 0.147 0.294 P 0.853 0.853 0.706 O 0.750 0.250 0.500 O 0.250 0.750 0.500 <coord> |
<forme>-0.21<forme><bg>0.0<bg><abc>4.275 4.275 4.275<abc><angles>60.000 60.000 60.000<angles><comp>Mn1 Zn1 Ir2<comp><coord>Mn 0.500 0.500 0.500 Zn 0.000 0.000 0.000 Ir 0.750 0.750 0.750 Ir 0.250 0.250 0.250 <coord> |
<forme>0.02<forme><bg>0.0<bg><abc>5.261 5.261 5.261<abc><angles>90.000 90.000 90.000<angles><comp>La1 Nd3<comp><coord>La 0.000 0.000 0.000 Nd 0.000 0.500 0.500 Nd 0.500 0.000 0.500 Nd 0.500 0.500 0.000 <coord> |
<forme>-2.66<forme><bg>1.46<bg><abc>5.125 5.480 7.363<abc><angles>90.000 90.000 90.000<angles><comp>Er4 Co4 O12<comp><coord>Er 0.022 0.924 0.750 Er 0.478 0.424 0.750 Er 0.522 0.576 0.250 Er 0.978 0.076 0.250 Co 0.500 0.000 0.500 Co 0.500 0.000 0.000 Co 0.000 0.500 0.500 Co 0.000 0.500 0.000 O 0.894 0.532 0.750 O 0.810 0.803 0.052 O 0.190 0.197 0.552 O 0.106 0.468 0.250 O 0.394 0.968 0.250 O 0.690 0.303 0.448 O 0.310 0.697 0.948 O 0.606 0.032 0.750 O 0.190 0.197 0.948 O 0.810 0.803 0.448 O 0.310 0.697 0.552 O 0.690 0.303 0.052 <coord> |
<forme>-2.61<forme><bg>2.61<bg><abc>3.758 3.758 6.122<abc><angles>72.127 72.127 60.000<angles><comp>Nd1 Cu1 O2<comp><coord>Nd 0.500 0.500 0.500 Cu 0.000 0.000 0.000 O 0.894 0.894 0.318 O 0.106 0.106 0.682 <coord> |
<forme>-0.4<forme><bg>0.0<bg><abc>4.053 5.394 5.394<abc><angles>60.711 67.931 67.931<angles><comp>Y2 Ga1 Co2<comp><coord>Y 0.207 0.293 0.293 Y 0.793 0.707 0.707 Ga 0.000 0.000 0.000 Co 0.500 0.286 0.714 Co 0.500 0.714 0.286 <coord> |
<forme>-0.46<forme><bg>0.11<bg><abc>4.128 4.128 4.128<abc><angles>90.000 90.000 90.000<angles><comp>Yb1 B6<comp><coord>Yb 0.000 0.000 0.000 B 0.799 0.500 0.500 B 0.201 0.500 0.500 B 0.500 0.500 0.799 B 0.500 0.500 0.201 B 0.500 0.201 0.500 B 0.500 0.799 0.500 <coord> |
<forme>0.0<forme><bg>0.0<bg><abc>3.333 3.333 8.685<abc><angles>78.938 78.938 60.000<angles><comp>In3<comp><coord>In 0.000 0.000 0.000 In 0.778 0.778 0.665 In 0.222 0.222 0.335 <coord> |
<forme>-2.84<forme><bg>4.15<bg><abc>7.185 7.185 7.185<abc><angles>60.000 60.000 60.000<angles><comp>Cs1 Rb2 Bi1 F6<comp><coord>Cs 0.500 0.500 0.500 Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Bi 0.000 0.000 0.000 F 0.224 0.776 0.224 F 0.224 0.224 0.776 F 0.776 0.224 0.776 F 0.224 0.776 0.776 F 0.776 0.224 0.224 F 0.776 0.776 0.224 <coord> |
<forme>0.0<forme><bg>0.58<bg><abc>4.512 4.512 5.960<abc><angles>90.000 90.000 120.000<angles><comp>Te3<comp><coord>Te 0.731 0.731 0.667 Te 0.000 0.269 0.333 Te 0.269 0.000 0.000 <coord> |
<forme>-1.83<forme><bg>0.16<bg><abc>6.644 6.648 6.648<abc><angles>109.390 109.390 109.363<angles><comp>Ca1 Cu3 Mo4 O12<comp><coord>Ca 1.000 1.000 1.000 Cu 0.500 0.000 0.500 Cu 0.500 0.500 0.000 Cu 1.000 0.500 0.500 Mo 0.500 0.500 0.500 Mo 0.000 0.000 0.500 Mo 1.000 0.500 0.000 Mo 0.500 0.000 0.000 O 0.690 0.866 0.166 O 0.310 0.134 0.834 O 0.304 0.475 0.171 O 0.133 0.834 0.309 O 0.167 0.690 0.866 O 0.830 0.696 0.526 O 0.525 0.829 0.695 O 0.833 0.310 0.134 O 0.696 0.525 0.829 O 0.867 0.166 0.691 O 0.170 0.304 0.474 O 0.475 0.171 0.305 <coord> |
<forme>-2.53<forme><bg>0.74<bg><abc>5.355 5.885 7.774<abc><angles>90.000 90.000 90.000<angles><comp>Sm4 Rh4 O12<comp><coord>Sm 0.471 0.582 0.750 Sm 0.971 0.918 0.250 Sm 0.029 0.082 0.750 Sm 0.529 0.418 0.250 Rh 0.500 0.000 0.500 Rh 0.000 0.500 0.500 Rh 0.000 0.500 0.000 Rh 0.500 0.000 0.000 O 0.820 0.193 0.442 O 0.320 0.307 0.558 O 0.680 0.693 0.058 O 0.180 0.807 0.942 O 0.180 0.807 0.558 O 0.680 0.693 0.442 O 0.320 0.307 0.942 O 0.820 0.193 0.058 O 0.376 0.044 0.250 O 0.876 0.456 0.750 O 0.124 0.544 0.250 O 0.624 0.956 0.750 <coord> |
<forme>-1.08<forme><bg>0.0<bg><abc>6.624 6.624 6.624<abc><angles>90.000 90.000 90.000<angles><comp>Ba4 P4 Pt4<comp><coord>Ba 0.640 0.360 0.860 Ba 0.360 0.860 0.640 Ba 0.140 0.140 0.140 Ba 0.860 0.640 0.360 P 0.584 0.916 0.084 P 0.084 0.584 0.916 P 0.916 0.084 0.584 P 0.416 0.416 0.416 Pt 0.151 0.349 0.651 Pt 0.651 0.151 0.349 Pt 0.849 0.849 0.849 Pt 0.349 0.651 0.151 <coord> |
<forme>-0.35<forme><bg>0.0<bg><abc>5.387 5.387 5.387<abc><angles>60.000 60.000 60.000<angles><comp>Ca1 Gd1 Cd2<comp><coord>Ca 0.500 0.500 0.500 Gd 0.000 0.000 0.000 Cd 0.250 0.250 0.250 Cd 0.750 0.750 0.750 <coord> |
<forme>-0.96<forme><bg>0.35<bg><abc>3.272 3.272 37.180<abc><angles>90.000 90.000 120.000<angles><comp>Te2 Mo2 W2 S6<comp><coord>Te 0.667 0.333 0.958 Te 0.667 0.333 0.854 Mo 0.000 0.000 0.906 Mo 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 0.677 S 0.000 0.000 0.301 S 0.667 0.333 0.572 S 0.667 0.333 0.489 S 0.000 0.000 0.760 S 0.000 0.000 0.384 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>4.992 4.992 8.554<abc><angles>73.033 73.033 60.000<angles><comp>Pr2 Mg1 Ni9<comp><coord>Pr 0.004 0.004 0.987 Pr 0.857 0.857 0.429 Mg 0.139 0.139 0.583 Ni 0.417 0.919 0.247 Ni 0.417 0.417 0.247 Ni 0.919 0.417 0.247 Ni 0.582 0.084 0.751 Ni 0.582 0.582 0.751 Ni 0.084 0.582 0.751 Ni 0.499 0.499 0.503 Ni 0.667 0.667 0.000 Ni 0.332 0.332 0.003 <coord> |
<forme>-2.56<forme><bg>2.9<bg><abc>3.902 3.902 12.052<abc><angles>90.000 90.000 120.000<angles><comp>La2 Au2 O4<comp><coord>La 0.000 0.000 0.000 La 0.000 0.000 0.500 Au 0.333 0.667 0.250 Au 0.667 0.333 0.750 O 0.333 0.667 0.419 O 0.667 0.333 0.919 O 0.667 0.333 0.581 O 0.333 0.667 0.081 <coord> |
<forme>-3.6<forme><bg>6.69<bg><abc>6.435 6.648 9.156<abc><angles>90.000 89.566 90.000<angles><comp>K6 Tb2 F12<comp><coord>K 0.500 0.500 0.000 K 0.000 0.000 0.500 K 0.487 0.049 0.246 K 0.513 0.951 0.754 K 0.013 0.549 0.254 K 0.987 0.451 0.746 Tb 0.500 0.500 0.500 Tb 0.000 0.000 0.000 F 0.333 0.775 0.432 F 0.667 0.225 0.568 F 0.167 0.275 0.068 F 0.833 0.725 0.932 F 0.611 0.445 0.275 F 0.389 0.555 0.725 F 0.889 0.945 0.225 F 0.111 0.055 0.775 F 0.218 0.326 0.449 F 0.782 0.674 0.551 F 0.282 0.826 0.051 F 0.718 0.174 0.949 <coord> |
<forme>-0.69<forme><bg>0.0<bg><abc>5.518 5.518 7.948<abc><angles>90.000 90.000 90.000<angles><comp>Al4 Pt12<comp><coord>Al 0.500 0.000 0.242 Al 0.000 0.500 0.242 Al 0.500 0.000 0.758 Al 0.000 0.500 0.758 Pt 0.278 0.222 0.000 Pt 0.778 0.278 0.000 Pt 0.222 0.722 0.000 Pt 0.722 0.778 0.000 Pt 0.000 0.000 0.252 Pt 0.500 0.500 0.252 Pt 0.696 0.196 0.500 Pt 0.196 0.304 0.500 Pt 0.804 0.696 0.500 Pt 0.304 0.804 0.500 Pt 0.000 0.000 0.748 Pt 0.500 0.500 0.748 <coord> |
<forme>-0.73<forme><bg>0.0<bg><abc>4.242 4.242 4.242<abc><angles>90.000 90.000 90.000<angles><comp>Sm1 B1 Rh3<comp><coord>Sm 0.000 0.000 0.000 B 0.500 0.500 0.500 Rh 0.500 0.500 0.000 Rh 0.500 0.000 0.500 Rh 0.000 0.500 0.500 <coord> |
<forme>-1.88<forme><bg>1.92<bg><abc>3.937 6.034 13.494<abc><angles>90.000 90.000 90.000<angles><comp>Ca4 Fe4 Se4 O4<comp><coord>Ca 0.750 0.251 0.082 Ca 0.750 0.751 0.418 Ca 0.250 0.749 0.918 Ca 0.250 0.249 0.582 Fe 0.750 0.388 0.794 Fe 0.750 0.888 0.706 Fe 0.250 0.612 0.206 Fe 0.250 0.112 0.294 Se 0.750 0.258 0.406 Se 0.750 0.758 0.094 Se 0.250 0.742 0.594 Se 0.250 0.242 0.906 O 0.750 0.207 0.673 O 0.750 0.707 0.827 O 0.250 0.793 0.327 O 0.250 0.293 0.173 <coord> |
<forme>-0.74<forme><bg>0.0<bg><abc>5.356 5.356 5.356<abc><angles>60.000 60.000 60.000<angles><comp>Tb2 Rh4<comp><coord>Tb 0.250 0.250 0.250 Tb 0.500 0.500 0.500 Rh 0.875 0.875 0.875 Rh 0.875 0.375 0.875 Rh 0.875 0.875 0.375 Rh 0.375 0.875 0.875 <coord> |
<forme>-2.22<forme><bg>0.0<bg><abc>3.891 3.957 11.507<abc><angles>90.000 90.000 90.000<angles><comp>Ba2 Er1 Cu1 Ni2 O7<comp><coord>Ba 0.500 0.500 0.182 Ba 0.500 0.500 0.818 Er 0.500 0.500 0.500 Cu 0.000 0.000 0.000 Ni 0.000 0.000 0.344 Ni 0.000 0.000 0.656 O 0.500 0.000 0.379 O 0.500 0.000 0.621 O 0.000 0.500 0.378 O 0.000 0.500 0.622 O 0.000 0.000 0.164 O 0.000 0.000 0.836 O 0.000 0.500 0.000 <coord> |
<forme>-1.74<forme><bg>1.71<bg><abc>4.056 4.056 7.888<abc><angles>75.104 75.104 60.000<angles><comp>Tb1 Tl1 S2<comp><coord>Tb 0.000 0.000 0.000 Tl 0.500 0.500 0.500 S 0.733 0.733 0.802 S 0.267 0.267 0.198 <coord> |
<forme>-2.99<forme><bg>5.24<bg><abc>6.266 6.266 6.266<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Li1 In1 F6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Li 0.500 0.500 0.500 In 0.000 0.000 0.000 F 0.241 0.759 0.241 F 0.241 0.241 0.759 F 0.759 0.241 0.759 F 0.241 0.759 0.759 F 0.759 0.241 0.241 F 0.759 0.759 0.241 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>4.349 6.395 6.395<abc><angles>90.000 90.000 90.000<angles><comp>Cu6 Se4<comp><coord>Cu 0.000 0.000 0.000 Cu 0.000 0.500 0.500 Cu 0.755 0.146 0.646 Cu 0.245 0.354 0.146 Cu 0.245 0.646 0.854 Cu 0.755 0.854 0.354 Se 0.262 0.271 0.771 Se 0.738 0.229 0.271 Se 0.738 0.771 0.729 Se 0.262 0.729 0.229 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>4.103 6.697 6.959<abc><angles>90.000 90.000 90.000<angles><comp>Lu4 Co4 Si4<comp><coord>Lu 0.750 0.514 0.807 Lu 0.750 0.014 0.693 Lu 0.250 0.486 0.193 Lu 0.250 0.986 0.307 Co 0.750 0.352 0.440 Co 0.750 0.852 0.060 Co 0.250 0.648 0.560 Co 0.250 0.148 0.940 Si 0.750 0.199 0.108 Si 0.750 0.699 0.392 Si 0.250 0.801 0.892 Si 0.250 0.301 0.608 <coord> |
<forme>-3.17<forme><bg>2.41<bg><abc>5.574 5.575 7.873<abc><angles>90.000 90.000 89.937<angles><comp>La3 Nd1 Cr4 O12<comp><coord>La 0.007 0.971 0.000 La 0.507 0.528 0.500 La 0.992 0.029 0.500 Nd 0.489 0.463 0.000 Cr 1.000 0.500 0.249 Cr 0.500 0.999 0.751 Cr 1.000 0.500 0.751 Cr 0.500 0.999 0.249 O 0.784 0.784 0.293 O 0.718 0.283 0.708 O 0.221 0.220 0.796 O 0.285 0.715 0.204 O 0.221 0.220 0.204 O 0.285 0.715 0.796 O 0.784 0.784 0.707 O 0.718 0.283 0.292 O 0.580 0.020 0.000 O 0.912 0.514 0.000 O 0.419 0.986 0.500 O 0.080 0.486 0.500 <coord> |
<forme>-1.4<forme><bg>0.0<bg><abc>6.539 7.747 8.553<abc><angles>90.000 90.000 89.772<angles><comp>La4 Cu2 Te8<comp><coord>La 0.499 0.228 0.056 La 0.005 0.763 0.941 La 0.995 0.237 0.441 La 0.501 0.772 0.556 Cu 0.683 0.586 0.203 Cu 0.317 0.414 0.703 Te 0.510 0.384 0.411 Te 0.020 0.616 0.594 Te 0.980 0.384 0.094 Te 0.490 0.616 0.911 Te 0.749 0.914 0.249 Te 0.251 0.086 0.749 Te 0.753 0.076 0.749 Te 0.247 0.924 0.249 <coord> |
<forme>-0.44<forme><bg>0.0<bg><abc>4.121 6.743 6.743<abc><angles>120.000 90.000 90.000<angles><comp>Yb3 Al3 Ni3<comp><coord>Yb 0.500 0.582 1.000 Yb 0.500 0.418 0.418 Yb 0.500 0.000 0.582 Al 0.000 0.235 0.000 Al 0.000 0.765 0.765 Al 1.000 0.000 0.235 Ni 1.000 0.333 0.667 Ni 1.000 0.667 0.333 Ni 0.500 0.000 0.000 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>8.177 8.177 8.177<abc><angles>73.324 69.779 111.554<angles><comp>Tm12 Ga2 Co4<comp><coord>Tm 0.701 0.264 0.034 Tm 0.598 0.782 0.184 Tm 0.034 0.218 0.184 Tm 0.195 0.875 0.320 Tm 0.805 0.485 0.320 Tm 0.299 0.264 0.437 Tm 0.701 0.736 0.563 Tm 0.195 0.515 0.680 Tm 0.805 0.125 0.680 Tm 0.966 0.782 0.816 Tm 0.402 0.218 0.816 Tm 0.299 0.736 0.966 Ga 0.500 0.500 0.000 Ga 0.500 1.000 0.500 Co 1.000 0.886 0.114 Co 0.136 0.500 0.364 Co 0.864 0.500 0.636 Co 0.000 0.114 0.886 <coord> |
<forme>-3.57<forme><bg>0.86<bg><abc>6.383 6.383 6.383<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 La1 U1 O6<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 La 0.500 0.500 0.500 U 0.000 0.000 0.000 O 0.238 0.762 0.238 O 0.762 0.238 0.762 O 0.238 0.762 0.762 O 0.762 0.238 0.238 O 0.238 0.238 0.762 O 0.762 0.762 0.238 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>4.503 4.503 4.503<abc><angles>60.000 60.000 60.000<angles><comp>Ta2 Tc1 Ru1<comp><coord>Ta 0.750 0.750 0.750 Ta 0.250 0.250 0.250 Tc 0.000 0.000 0.000 Ru 0.500 0.500 0.500 <coord> |
<forme>-2.63<forme><bg>2.13<bg><abc>3.277 4.721 6.552<abc><angles>90.000 89.990 90.210<angles><comp>Ca2 Mn2 O4<comp><coord>Ca 0.562 0.499 0.116 Ca 0.062 0.999 0.384 Mn 0.563 0.496 0.629 Mn 0.063 0.996 0.871 O 0.062 0.505 0.860 O 0.562 0.005 0.640 O 0.563 1.000 0.116 O 0.062 0.500 0.384 <coord> |
<forme>-0.18<forme><bg>0.0<bg><abc>4.939 4.939 9.458<abc><angles>74.865 74.865 60.000<angles><comp>Ta7 Fe6<comp><coord>Ta 0.000 0.000 0.000 Ta 0.167 0.167 0.499 Ta 0.833 0.833 0.501 Ta 0.348 0.348 0.957 Ta 0.652 0.652 0.043 Ta 0.451 0.451 0.647 Ta 0.549 0.549 0.353 Fe 0.092 0.092 0.234 Fe 0.092 0.582 0.234 Fe 0.582 0.092 0.234 Fe 0.908 0.908 0.766 Fe 0.908 0.418 0.766 Fe 0.418 0.908 0.766 <coord> |
<forme>-1.18<forme><bg>2.59<bg><abc>5.831 9.326 9.326<abc><angles>73.847 71.781 71.781<angles><comp>Rb4 Zn6 S8<comp><coord>Rb 0.735 0.379 0.621 Rb 0.265 0.621 0.379 Rb 0.765 0.879 0.121 Rb 0.235 0.121 0.879 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 Zn 0.250 0.527 0.973 Zn 0.250 0.973 0.527 Zn 0.750 0.473 0.027 Zn 0.750 0.027 0.473 S 0.568 0.285 0.019 S 0.127 0.019 0.285 S 0.932 0.481 0.215 S 0.373 0.215 0.481 S 0.432 0.715 0.981 S 0.873 0.981 0.715 S 0.068 0.519 0.785 S 0.627 0.785 0.519 <coord> |
<forme>-2.02<forme><bg>0.6<bg><abc>4.993 5.067 5.406<abc><angles>62.403 89.348 62.758<angles><comp>Fe2 Mg2 O6<comp><coord>Fe 0.653 0.699 0.960 Fe 0.347 0.301 0.039 Mg 0.857 0.283 0.575 Mg 0.143 0.717 0.425 O 0.266 0.190 0.765 O 0.075 0.202 0.247 O 0.458 0.482 0.237 O 0.542 0.518 0.763 O 0.925 0.798 0.753 O 0.734 0.810 0.234 <coord> |
<forme>-0.9<forme><bg>0.0<bg><abc>3.299 3.299 30.525<abc><angles>90.000 90.000 120.000<angles><comp>Te2 Mo2 W1 S4<comp><coord>Te 0.000 0.000 0.590 Te 0.000 0.000 0.716 Mo 0.000 0.000 0.884 Mo 0.667 0.333 0.653 W 0.000 0.000 0.422 S 0.667 0.333 0.935 S 0.667 0.333 0.472 S 0.667 0.333 0.834 S 0.667 0.333 0.371 <coord> |
<forme>-2.82<forme><bg>1.43<bg><abc>5.555 5.669 7.914<abc><angles>90.000 90.000 89.857<angles><comp>La3 Sm1 Fe4 O12<comp><coord>La 0.008 0.956 0.000 La 0.508 0.542 0.500 La 0.991 0.044 0.500 Sm 0.490 0.446 1.000 Fe 0.500 0.999 0.248 Fe 1.000 0.501 0.752 Fe 0.500 0.999 0.752 Fe 1.000 0.501 0.248 O 0.207 0.207 0.204 O 0.300 0.699 0.799 O 0.798 0.798 0.707 O 0.704 0.297 0.291 O 0.798 0.798 0.293 O 0.704 0.297 0.709 O 0.207 0.207 0.796 O 0.300 0.699 0.201 O 0.582 0.031 0.000 O 0.904 0.522 1.000 O 0.418 0.978 0.500 O 0.080 0.480 0.500 <coord> |
<forme>0.02<forme><bg>0.0<bg><abc>2.453 2.453 2.471<abc><angles>111.747 111.740 104.685<angles><comp>Fe1<comp><coord>Fe 0.000 1.000 0.000 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>6.429 8.529 8.529<abc><angles>120.000 90.000 90.000<angles><comp>Y10 Si6 B1<comp><coord>Y 0.500 0.667 0.333 Y 0.500 0.333 0.667 Y 1.000 0.333 0.667 Y 0.000 0.667 0.333 Y 0.734 1.000 0.757 Y 0.734 0.757 1.000 Y 0.734 0.243 0.243 Y 0.266 1.000 0.243 Y 0.266 0.243 0.000 Y 0.266 0.757 0.757 Si 0.749 0.000 0.397 Si 0.749 0.397 1.000 Si 0.749 0.603 0.603 Si 0.251 0.000 0.603 Si 0.251 0.603 0.000 Si 0.251 0.397 0.397 B 0.500 0.000 0.000 <coord> |
<forme>-1.44<forme><bg>0.23<bg><abc>7.875 7.875 7.875<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 In1 Ag1 Br6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 In 0.000 0.000 0.000 Ag 0.500 0.500 0.500 Br 0.245 0.755 0.245 Br 0.245 0.245 0.755 Br 0.755 0.245 0.755 Br 0.245 0.755 0.755 Br 0.755 0.245 0.245 Br 0.755 0.755 0.245 <coord> |
<forme>-2.34<forme><bg>0.47<bg><abc>7.278 7.278 7.278<abc><angles>109.811 109.302 109.302<angles><comp>Eu2 Er4 S8<comp><coord>Eu 0.500 0.750 0.250 Eu 0.000 0.500 0.500 Er 0.873 0.248 0.875 Er 0.127 0.002 0.375 Er 0.373 0.125 0.998 Er 0.627 0.625 0.752 S 0.598 0.234 0.487 S 0.752 0.016 0.113 S 0.402 0.889 0.637 S 0.098 0.737 0.984 S 0.748 0.513 0.111 S 0.252 0.363 0.766 S 0.902 0.887 0.639 S 0.248 0.361 0.263 <coord> |
<forme>-2.41<forme><bg>0.73<bg><abc>5.853 5.897 5.968<abc><angles>62.081 62.085 91.887<angles><comp>Li2 Mn1 V3 O8<comp><coord>Li 0.115 0.370 0.771 Li 0.885 0.629 0.229 Mn 0.500 0.500 1.000 V 0.500 1.000 1.000 V 1.000 1.000 0.500 V 0.500 0.000 0.500 O 0.266 0.787 0.479 O 0.254 0.230 0.040 O 0.705 0.238 0.047 O 0.238 0.212 0.510 O 0.762 0.788 0.490 O 0.295 0.762 0.953 O 0.746 0.770 0.960 O 0.734 0.213 0.521 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>4.642 7.949 9.255<abc><angles>90.000 90.000 90.000<angles><comp>Sr2 In6 Au6<comp><coord>Sr 0.500 0.000 0.729 Sr 0.000 0.500 0.271 In 0.000 0.304 0.885 In 0.500 0.196 0.115 In 0.000 0.696 0.885 In 0.000 0.000 0.366 In 0.500 0.804 0.115 In 0.500 0.500 0.634 Au 0.000 0.727 0.588 Au 0.500 0.773 0.412 Au 0.500 0.500 0.956 Au 0.000 0.000 0.044 Au 0.500 0.227 0.412 Au 0.000 0.273 0.588 <coord> |
<forme>-0.25<forme><bg>0.0<bg><abc>4.844 4.844 4.844<abc><angles>62.637 62.637 62.637<angles><comp>Zr2 Cr1 Co3<comp><coord>Zr 0.373 0.373 0.373 Zr 0.627 0.627 0.627 Cr 0.000 0.000 0.000 Co 0.500 0.000 0.000 Co 0.000 0.500 1.000 Co 0.000 0.000 0.500 <coord> |
<forme>-1.94<forme><bg>0.0<bg><abc>4.564 5.466 7.529<abc><angles>86.055 88.734 88.044<angles><comp>Mn6 O10 F2<comp><coord>Mn 0.495 0.496 0.998 Mn 0.514 0.843 0.671 Mn 0.516 0.176 0.340 Mn 0.997 0.326 0.672 Mn 0.978 0.654 0.323 Mn 0.995 0.000 0.994 O 0.804 0.366 0.439 O 0.808 0.039 0.769 O 0.803 0.705 0.098 O 0.694 0.204 0.104 O 0.694 0.536 0.768 O 0.698 0.872 0.435 O 0.305 0.129 0.564 O 0.307 0.466 0.233 O 0.306 0.796 0.898 O 0.193 0.294 0.898 F 0.193 0.631 0.562 F 0.200 0.967 0.234 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>5.306 5.306 9.121<abc><angles>90.000 90.000 120.000<angles><comp>Sm4 Ru8<comp><coord>Sm 0.667 0.333 0.568 Sm 0.333 0.667 0.432 Sm 0.333 0.667 0.068 Sm 0.667 0.333 0.932 Ru 0.000 0.000 0.500 Ru 0.000 0.000 0.000 Ru 0.171 0.342 0.750 Ru 0.171 0.829 0.750 Ru 0.658 0.829 0.750 Ru 0.829 0.658 0.250 Ru 0.829 0.171 0.250 Ru 0.342 0.171 0.250 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>3.947 7.495 7.495<abc><angles>90.000 90.000 90.000<angles><comp>Yb4 Cd2 Pd4<comp><coord>Yb 0.500 0.334 0.834 Yb 0.500 0.834 0.666 Yb 0.500 0.166 0.334 Yb 0.500 0.666 0.166 Cd 0.000 0.000 0.000 Cd 0.000 0.500 0.500 Pd 0.000 0.366 0.134 Pd 1.000 0.866 0.366 Pd 0.000 0.134 0.634 Pd 1.000 0.634 0.866 <coord> |
<forme>-0.63<forme><bg>0.42<bg><abc>3.398 3.398 39.081<abc><angles>90.000 90.000 120.000<angles><comp>Te4 W4 Se2 S2<comp><coord>Te 0.667 0.333 0.670 Te 0.333 0.667 0.578 Te 0.333 0.667 0.482 Te 0.667 0.333 0.767 W 0.667 0.333 0.906 W 0.667 0.333 0.530 W 0.333 0.667 0.718 W 0.333 0.667 0.342 Se 0.667 0.333 0.300 Se 0.667 0.333 0.385 S 0.333 0.667 0.945 S 0.333 0.667 0.868 <coord> |
<forme>-2.45<forme><bg>2.71<bg><abc>5.197 6.347 6.347<abc><angles>60.000 90.000 90.000<angles><comp>Cs2 Pt1 F6<comp><coord>Cs 0.291 0.333 0.333 Cs 0.709 0.667 0.667 Pt 0.000 0.000 0.000 F 0.209 0.849 0.302 F 0.209 0.302 0.849 F 0.209 0.849 0.849 F 0.791 0.151 0.698 F 0.791 0.698 0.151 F 0.791 0.151 0.151 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.