text stringlengths 140 560 |
|---|
<forme>-2.54<forme><bg>5.11<bg><abc>5.435 5.435 9.560<abc><angles>106.515 106.515 90.000<angles><comp>Cs2 Ca1 Cl4<comp><coord>Cs 0.356 0.356 0.712 Cs 0.644 0.644 0.288 Ca 0.000 0.000 0.000 Cl 0.156 0.156 0.313 Cl 0.844 0.844 0.687 Cl 0.500 0.000 0.000 Cl 0.000 0.500 0.000 <coord> |
<forme>-1.09<forme><bg>0.0<bg><abc>3.988 7.507 7.507<abc><angles>120.000 90.000 90.000<angles><comp>Er3 Sn3 Pt3<comp><coord>Er 0.500 0.592 1.000 Er 0.500 0.408 0.408 Er 0.500 0.000 0.592 Sn 0.000 0.258 1.000 Sn 0.000 0.742 0.742 Sn 1.000 0.000 0.258 Pt 0.000 0.333 0.667 Pt 1.000 0.667 0.333 Pt 0.500 0.000 0.000 <coord> |
<forme>-2.28<forme><bg>1.3<bg><abc>6.328 6.361 6.361<abc><angles>60.799 60.170 60.170<angles><comp>Mg2 In4 O8<comp><coord>Mg 0.000 0.000 0.500 Mg 0.500 0.000 0.500 In 0.131 0.619 0.119 In 0.869 0.381 0.881 In 0.500 1.000 1.000 In 0.500 0.500 0.500 O 0.743 0.781 0.733 O 0.743 0.233 0.281 O 0.749 0.237 0.737 O 0.723 0.763 0.263 O 0.277 0.237 0.737 O 0.251 0.763 0.263 O 0.257 0.767 0.719 O 0.257 0.219 0.267 <coord> |
<forme>-1.93<forme><bg>1.15<bg><abc>4.989 5.060 5.433<abc><angles>116.558 90.420 118.814<angles><comp>V2 Co2 O6<comp><coord>V 0.351 0.703 0.053 V 0.651 0.288 0.949 Co 0.868 0.720 0.570 Co 0.153 0.297 0.451 O 0.713 0.771 0.225 O 0.272 0.215 0.750 O 0.566 0.846 0.768 O 0.421 0.162 0.229 O 0.057 0.505 0.245 O 0.948 0.492 0.759 <coord> |
<forme>-1.22<forme><bg>1.64<bg><abc>5.829 8.030 13.360<abc><angles>85.459 77.400 68.719<angles><comp>Cs4 Nb2 Cu2 Se8<comp><coord>Cs 0.072 0.500 0.856 Cs 0.428 0.500 0.144 Cs 0.678 0.000 0.644 Cs 0.322 0.000 0.356 Nb 0.500 0.000 0.000 Nb 0.250 0.500 0.500 Cu 0.750 0.500 0.500 Cu 0.000 0.000 0.000 Se 0.705 0.187 0.893 Se 0.786 0.813 0.107 Se 0.108 0.187 0.107 Se 0.401 0.813 0.893 Se 0.642 0.313 0.393 Se 0.349 0.687 0.607 Se 0.964 0.687 0.393 Se 0.045 0.313 0.607 <coord> |
<forme>-1.54<forme><bg>0.0<bg><abc>4.508 4.508 9.189<abc><angles>90.000 90.000 90.000<angles><comp>Nd2 Te4<comp><coord>Nd 0.000 0.500 0.727 Nd 0.500 0.000 0.273 Te 0.000 0.500 0.370 Te 0.500 0.000 0.630 Te 0.500 0.500 0.000 Te 0.000 0.000 0.000 <coord> |
<forme>-2.42<forme><bg>0.52<bg><abc>5.290 5.408 7.536<abc><angles>90.000 90.000 90.000<angles><comp>Yb4 Fe4 O12<comp><coord>Yb 0.012 0.948 0.750 Yb 0.512 0.552 0.250 Yb 0.488 0.448 0.750 Yb 0.988 0.052 0.250 Fe 0.000 0.500 0.500 Fe 0.500 0.000 0.500 Fe 0.500 0.000 0.000 Fe 0.000 0.500 0.000 O 0.707 0.293 0.459 O 0.207 0.207 0.541 O 0.793 0.793 0.041 O 0.293 0.707 0.959 O 0.293 0.707 0.541 O 0.793 0.793 0.459 O 0.207 0.207 0.959 O 0.707 0.293 0.041 O 0.079 0.482 0.250 O 0.579 0.018 0.750 O 0.421 0.982 0.250 O 0.921 0.518 0.750 <coord> |
<forme>-0.63<forme><bg>0.0<bg><abc>4.843 4.843 4.843<abc><angles>60.000 60.000 60.000<angles><comp>Tb2 Ni1 Ir1<comp><coord>Tb 0.750 0.750 0.750 Tb 0.250 0.250 0.250 Ni 0.000 0.000 0.000 Ir 0.500 0.500 0.500 <coord> |
<forme>-2.74<forme><bg>0.73<bg><abc>5.731 5.743 8.190<abc><angles>89.946 90.017 89.906<angles><comp>Sr4 Ta4 N4 O8<comp><coord>Sr 0.996 0.003 0.751 Sr 0.486 0.508 0.751 Sr 0.511 0.506 0.275 Sr 0.021 0.003 0.274 Ta 0.503 0.004 0.002 Ta 0.505 0.017 0.515 Ta 0.000 0.505 0.026 Ta 0.003 0.488 0.508 N 0.997 0.539 0.262 N 0.268 0.269 0.498 N 0.768 0.229 0.497 N 0.504 0.031 0.770 O 0.490 0.949 0.264 O 0.221 0.772 0.538 O 0.220 0.777 0.996 O 0.720 0.718 0.996 O 0.721 0.723 0.537 O 0.006 0.463 0.771 O 0.279 0.276 0.038 O 0.779 0.219 0.039 <coord> |
<forme>-3.49<forme><bg>3.58<bg><abc>5.560 5.560 5.560<abc><angles>60.000 60.000 60.000<angles><comp>Sr2 Ta1 Al1 O6<comp><coord>Sr 0.250 0.250 0.250 Sr 0.750 0.750 0.750 Ta 0.000 0.000 0.000 Al 0.500 0.500 0.500 O 0.746 0.746 0.254 O 0.254 0.254 0.746 O 0.746 0.254 0.254 O 0.254 0.746 0.746 O 0.746 0.254 0.746 O 0.254 0.746 0.254 <coord> |
<forme>-1.23<forme><bg>0.0<bg><abc>3.569 6.318 7.000<abc><angles>115.656 104.769 90.000<angles><comp>Ti2 Cr1 Se4<comp><coord>Ti 0.253 0.285 0.506 Ti 0.747 0.715 0.494 Cr 0.000 0.000 0.000 Se 0.114 0.451 0.227 Se 0.886 0.549 0.773 Se 0.371 0.034 0.741 Se 0.629 0.966 0.259 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>4.422 4.422 5.265<abc><angles>114.828 114.828 90.000<angles><comp>Dy1 Ag3<comp><coord>Dy 0.000 0.000 0.000 Ag 0.750 0.250 0.500 Ag 0.250 0.750 0.500 Ag 0.500 0.500 0.000 <coord> |
<forme>-1.17<forme><bg>2.28<bg><abc>3.265 3.265 5.321<abc><angles>90.000 90.000 120.000<angles><comp>Hf1 Zn1 N2<comp><coord>Hf 0.000 0.000 0.208 Zn 0.667 0.333 0.657 N 0.667 0.333 0.023 N 0.333 0.667 0.460 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>4.121 4.121 7.960<abc><angles>90.000 90.000 120.000<angles><comp>Tl1 Cr1 Te2<comp><coord>Tl 0.000 0.000 0.000 Cr 0.000 0.000 0.500 Te 0.333 0.667 0.320 Te 0.667 0.333 0.680 <coord> |
<forme>-2.98<forme><bg>0.4<bg><abc>5.361 5.856 7.572<abc><angles>90.000 90.000 90.000<angles><comp>Gd4 Mn4 O12<comp><coord>Gd 0.517 0.578 0.250 Gd 0.983 0.078 0.250 Gd 0.483 0.422 0.750 Gd 0.017 0.922 0.750 Mn 0.500 0.000 0.000 Mn 0.000 0.500 0.500 Mn 0.500 0.000 0.500 Mn 0.000 0.500 0.000 O 0.393 0.967 0.250 O 0.107 0.467 0.250 O 0.607 0.033 0.750 O 0.893 0.533 0.750 O 0.793 0.823 0.053 O 0.707 0.323 0.447 O 0.207 0.177 0.553 O 0.293 0.677 0.947 O 0.207 0.177 0.947 O 0.293 0.677 0.553 O 0.793 0.823 0.447 O 0.707 0.323 0.053 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>5.572 5.572 5.572<abc><angles>60.000 60.000 60.000<angles><comp>Pr1 Sm1 In2<comp><coord>Pr 0.500 0.500 0.500 Sm 0.000 0.000 0.000 In 0.750 0.750 0.750 In 0.250 0.250 0.250 <coord> |
<forme>-2.91<forme><bg>0.0<bg><abc>5.246 5.246 5.582<abc><angles>61.971 61.971 60.000<angles><comp>Cr1 Mo1 F6<comp><coord>Cr 0.000 0.000 0.000 Mo 0.500 0.500 0.500 F 0.634 0.888 0.241 F 0.366 0.112 0.759 F 0.112 0.762 0.759 F 0.888 0.238 0.241 F 0.238 0.634 0.241 F 0.762 0.366 0.759 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>3.994 3.994 7.785<abc><angles>104.864 104.864 90.000<angles><comp>Dy2 Si4<comp><coord>Dy 0.750 0.250 0.500 Dy 0.000 0.000 0.000 Si 0.167 0.667 0.335 Si 0.583 0.583 0.165 Si 0.333 0.833 0.665 Si 0.417 0.417 0.835 <coord> |
<forme>-3.13<forme><bg>0.0<bg><abc>4.232 4.687 4.232<abc><angles>116.835 90.000 116.835<angles><comp>Ba1 F3<comp><coord>Ba 0.000 0.000 0.000 F 0.250 0.500 0.750 F 0.750 0.500 0.250 F 0.500 0.000 0.500 <coord> |
<forme>-2.91<forme><bg>0.41<bg><abc>5.947 5.947 5.947<abc><angles>60.000 60.000 60.000<angles><comp>K1 Tb1 Eu1 W1 O6<comp><coord>K 0.750 0.750 0.750 Tb 0.000 0.000 0.000 Eu 0.250 0.250 0.250 W 0.500 0.500 0.500 O 0.268 0.732 0.268 O 0.732 0.268 0.732 O 0.732 0.268 0.268 O 0.268 0.732 0.732 O 0.732 0.732 0.268 O 0.268 0.268 0.732 <coord> |
<forme>-2.68<forme><bg>5.18<bg><abc>4.505 5.937 12.807<abc><angles>90.000 90.000 90.000<angles><comp>K4 P4 O12<comp><coord>K 0.231 0.750 0.589 K 0.731 0.750 0.911 K 0.769 0.250 0.411 K 0.269 0.250 0.089 P 0.686 0.250 0.673 P 0.186 0.250 0.827 P 0.314 0.750 0.327 P 0.814 0.750 0.173 O 0.340 0.250 0.712 O 0.840 0.250 0.788 O 0.660 0.750 0.288 O 0.160 0.750 0.212 O 0.258 0.532 0.383 O 0.758 0.968 0.117 O 0.742 0.032 0.617 O 0.242 0.468 0.883 O 0.758 0.532 0.117 O 0.258 0.968 0.383 O 0.242 0.032 0.883 O 0.742 0.468 0.617 <coord> |
<forme>-2.97<forme><bg>0.59<bg><abc>5.970 5.970 5.970<abc><angles>60.000 60.000 60.000<angles><comp>Ba1 Ca1 Eu1 W1 O6<comp><coord>Ba 0.250 0.250 0.250 Ca 0.000 0.000 0.000 Eu 0.750 0.750 0.750 W 0.500 0.500 0.500 O 0.269 0.731 0.269 O 0.731 0.269 0.731 O 0.731 0.269 0.269 O 0.269 0.731 0.731 O 0.731 0.731 0.269 O 0.269 0.269 0.731 <coord> |
<forme>-0.64<forme><bg>1.99<bg><abc>6.124 6.163 8.629<abc><angles>110.921 110.785 90.000<angles><comp>K4 Li2 Al2 P4<comp><coord>K 0.173 0.900 0.346 K 0.827 0.100 0.654 K 0.327 0.554 0.654 K 0.673 0.446 0.346 Li 0.250 0.500 0.000 Li 0.750 0.500 0.000 Al 0.250 0.000 0.000 Al 0.750 0.000 0.000 P 0.088 0.309 0.177 P 0.588 0.867 0.177 P 0.412 0.133 0.823 P 0.912 0.691 0.823 <coord> |
<forme>-1.38<forme><bg>2.67<bg><abc>4.616 5.918 5.918<abc><angles>60.000 90.000 90.000<angles><comp>Na2 H6 Pt1 O6<comp><coord>Na 0.046 0.667 0.667 Na 0.954 0.333 0.333 H 0.407 0.675 0.140 H 0.407 0.185 0.675 H 0.407 0.140 0.185 H 0.593 0.325 0.860 H 0.593 0.815 0.325 H 0.593 0.860 0.815 Pt 0.000 0.000 0.000 O 0.248 0.705 0.015 O 0.248 0.279 0.705 O 0.248 0.015 0.279 O 0.752 0.295 0.985 O 0.752 0.721 0.295 O 0.752 0.985 0.721 <coord> |
<forme>-2.39<forme><bg>7.08<bg><abc>4.597 4.765 4.597<abc><angles>118.842 90.000 118.842<angles><comp>Be1 S1 O4<comp><coord>Be 0.750 0.500 0.250 S 0.000 0.000 0.000 O 0.354 0.240 0.993 O 0.007 0.760 0.114 O 0.886 0.240 0.247 O 0.753 0.760 0.646 <coord> |
<forme>-0.59<forme><bg>0.22<bg><abc>6.787 7.198 8.002<abc><angles>90.000 90.000 90.000<angles><comp>Mn2 Ag4 Sn2 S8<comp><coord>Mn 0.505 0.346 0.000 Mn 0.005 0.654 0.500 Ag 0.517 0.828 0.752 Ag 0.017 0.172 0.748 Ag 0.017 0.172 0.252 Ag 0.517 0.828 0.248 Sn 0.001 0.661 0.000 Sn 0.501 0.339 0.500 S 0.860 0.349 0.000 S 0.360 0.651 0.500 S 0.894 0.829 0.746 S 0.394 0.171 0.754 S 0.394 0.171 0.246 S 0.894 0.829 0.254 S 0.363 0.651 0.000 S 0.863 0.349 0.500 <coord> |
<forme>-1.91<forme><bg>0.0<bg><abc>4.017 4.017 13.064<abc><angles>81.155 81.155 60.000<angles><comp>Y4 Ge1 S3<comp><coord>Y 0.624 0.624 0.127 Y 0.873 0.873 0.381 Y 0.376 0.376 0.873 Y 0.127 0.127 0.619 Ge 0.000 0.000 0.000 S 0.753 0.753 0.742 S 0.500 0.500 0.500 S 0.247 0.247 0.258 <coord> |
<forme>-2.98<forme><bg>0.0<bg><abc>4.094 4.094 7.710<abc><angles>105.397 105.397 90.000<angles><comp>La2 Bi1 O2<comp><coord>La 0.666 0.666 0.332 La 0.334 0.334 0.668 Bi 0.000 0.000 0.000 O 0.750 0.250 0.500 O 0.250 0.750 0.500 <coord> |
<forme>-0.27<forme><bg>0.0<bg><abc>5.121 5.121 5.121<abc><angles>60.000 60.000 60.000<angles><comp>Y1 In1 Cu4<comp><coord>Y 0.000 0.000 0.000 In 0.750 0.750 0.750 Cu 0.375 0.874 0.375 Cu 0.375 0.375 0.375 Cu 0.375 0.375 0.874 Cu 0.874 0.375 0.375 <coord> |
<forme>-0.19<forme><bg>0.16<bg><abc>7.514 7.514 7.516<abc><angles>69.462 69.462 69.303<angles><comp>Li4 Ga14<comp><coord>Li 0.882 0.882 0.468 Li 0.117 0.533 0.116 Li 0.533 0.117 0.116 Li 0.118 0.118 0.534 Ga 0.299 0.816 0.291 Ga 0.816 0.299 0.291 Ga 0.294 0.294 0.818 Ga 0.701 0.186 0.706 Ga 0.186 0.701 0.706 Ga 0.703 0.703 0.182 Ga 0.509 0.825 0.513 Ga 0.825 0.509 0.513 Ga 0.512 0.512 0.828 Ga 0.491 0.173 0.492 Ga 0.173 0.491 0.492 Ga 0.491 0.491 0.172 Ga 0.922 0.922 0.923 Ga 0.080 0.080 0.075 <coord> |
<forme>-0.44<forme><bg>0.0<bg><abc>3.121 3.121 5.615<abc><angles>106.138 106.138 90.000<angles><comp>Li2 H2 Pd1<comp><coord>Li 0.647 0.647 0.293 Li 0.353 0.353 0.707 H 0.836 0.836 0.672 H 0.164 0.164 0.328 Pd 0.000 0.000 0.000 <coord> |
<forme>-1.14<forme><bg>3.46<bg><abc>4.663 5.216 7.936<abc><angles>90.000 90.000 90.000<angles><comp>Se4 O8<comp><coord>Se 0.747 0.500 0.996 Se 0.885 0.000 0.372 Se 0.253 0.500 0.496 Se 0.115 0.000 0.872 O 0.241 0.000 0.677 O 0.155 0.251 0.341 O 0.845 0.251 0.841 O 0.601 0.500 0.463 O 0.399 0.500 0.963 O 0.155 0.749 0.341 O 0.759 0.000 0.177 O 0.845 0.749 0.841 <coord> |
<forme>-1.79<forme><bg>0.0<bg><abc>6.868 6.868 7.871<abc><angles>64.133 64.133 60.000<angles><comp>Ca1 Ti4 S8<comp><coord>Ca 0.500 0.500 0.500 Ti 0.500 0.000 0.000 Ti 0.000 0.500 0.000 Ti 0.500 0.500 0.000 Ti 0.000 0.000 0.000 S 0.764 0.258 0.213 S 0.236 0.236 0.787 S 0.236 0.742 0.787 S 0.742 0.236 0.787 S 0.264 0.264 0.208 S 0.736 0.736 0.792 S 0.258 0.764 0.213 S 0.764 0.764 0.213 <coord> |
<forme>-1.94<forme><bg>1.79<bg><abc>5.179 5.179 9.966<abc><angles>94.706 94.706 118.846<angles><comp>B2 Cl2 O4 F8<comp><coord>B 0.418 0.553 0.520 B 0.553 0.418 0.020 Cl 0.855 0.326 0.753 Cl 0.326 0.855 0.253 O 0.084 0.620 0.806 O 0.864 0.082 0.805 O 0.620 0.084 0.306 O 0.082 0.864 0.305 F 0.188 0.308 0.569 F 0.497 0.361 0.871 F 0.308 0.188 0.069 F 0.361 0.497 0.371 F 0.414 0.817 0.561 F 0.695 0.577 0.561 F 0.817 0.414 0.061 F 0.577 0.695 0.061 <coord> |
<forme>-0.57<forme><bg>0.0<bg><abc>4.098 4.116 10.986<abc><angles>79.203 90.000 90.000<angles><comp>Dy2 Ni2 Ge6<comp><coord>Dy 0.500 0.169 0.662 Dy 0.500 0.831 0.338 Ni 0.000 0.390 0.220 Ni 1.000 0.610 0.780 Ge 0.000 0.284 0.433 Ge 0.000 0.716 0.567 Ge 0.500 0.443 0.115 Ge 0.500 0.557 0.885 Ge 0.000 0.057 0.885 Ge 0.000 0.943 0.115 <coord> |
<forme>-1.0<forme><bg>0.0<bg><abc>6.432 6.432 6.432<abc><angles>90.000 90.000 90.000<angles><comp>La4 Si4 Ir4<comp><coord>La 0.135 0.865 0.365 La 0.865 0.365 0.135 La 0.635 0.635 0.635 La 0.365 0.135 0.865 Si 0.660 0.840 0.160 Si 0.160 0.660 0.840 Si 0.840 0.160 0.660 Si 0.340 0.340 0.340 Ir 0.073 0.427 0.573 Ir 0.573 0.073 0.427 Ir 0.927 0.927 0.927 Ir 0.427 0.573 0.073 <coord> |
<forme>-2.31<forme><bg>3.19<bg><abc>5.328 5.328 6.797<abc><angles>113.074 113.074 90.000<angles><comp>Ca1 Cd1 W2 O8<comp><coord>Ca 0.250 0.750 0.500 Cd 0.000 0.000 0.000 W 0.750 0.250 0.500 W 0.500 0.500 0.000 O 0.905 0.316 0.323 O 0.418 0.007 0.323 O 0.568 0.169 0.823 O 0.255 0.653 0.823 O 0.347 0.432 0.177 O 0.831 0.745 0.177 O 0.684 0.582 0.677 O 0.993 0.095 0.677 <coord> |
<forme>-1.74<forme><bg>0.31<bg><abc>6.645 6.645 7.364<abc><angles>63.181 63.181 60.000<angles><comp>Na2 Mn2 Cl6<comp><coord>Na 0.145 0.145 0.564 Na 0.855 0.855 0.436 Mn 0.340 0.340 0.979 Mn 0.660 0.660 0.021 Cl 0.452 0.066 0.770 Cl 0.066 0.712 0.770 Cl 0.288 0.548 0.230 Cl 0.548 0.934 0.230 Cl 0.934 0.288 0.230 Cl 0.712 0.452 0.770 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>3.536 3.536 15.708<abc><angles>90.000 90.000 89.609<angles><comp>Lu6 B2 C6<comp><coord>Lu 0.584 0.584 0.396 Lu 0.416 0.416 0.896 Lu 0.416 0.416 0.604 Lu 0.584 0.584 0.104 Lu 0.910 0.910 0.750 Lu 0.090 0.090 0.250 B 0.000 0.000 0.500 B 0.000 0.000 0.000 C 0.096 0.096 0.412 C 0.904 0.904 0.912 C 0.904 0.904 0.588 C 0.096 0.096 0.088 C 0.598 0.598 0.250 C 0.402 0.402 0.750 <coord> |
<forme>-1.32<forme><bg>0.0<bg><abc>5.412 5.418 5.418<abc><angles>89.946 90.036 89.964<angles><comp>Tl1 In1 Cl3<comp><coord>Tl 0.010 0.006 0.994 In 0.487 0.498 0.502 Cl 0.478 0.999 0.503 Cl 0.984 0.491 0.509 Cl 0.478 0.497 0.001 <coord> |
<forme>-2.37<forme><bg>0.07<bg><abc>5.280 5.403 7.850<abc><angles>90.000 90.000 90.000<angles><comp>Mg4 Mo4 O12<comp><coord>Mg 0.510 0.036 0.750 Mg 0.010 0.464 0.250 Mg 0.990 0.536 0.750 Mg 0.490 0.964 0.250 Mo 0.000 0.000 0.500 Mo 0.500 0.500 0.500 Mo 0.500 0.500 0.000 Mo 0.000 0.000 0.000 O 0.373 0.591 0.250 O 0.873 0.909 0.750 O 0.127 0.091 0.250 O 0.627 0.409 0.750 O 0.167 0.320 0.930 O 0.667 0.180 0.070 O 0.333 0.820 0.570 O 0.833 0.680 0.430 O 0.167 0.320 0.570 O 0.667 0.180 0.430 O 0.833 0.680 0.070 O 0.333 0.820 0.930 <coord> |
<forme>-0.9<forme><bg>0.0<bg><abc>5.128 5.128 5.128<abc><angles>60.000 60.000 60.000<angles><comp>Yb1 Sm1 Au2<comp><coord>Yb 0.000 0.000 0.000 Sm 0.500 0.500 0.500 Au 0.750 0.750 0.750 Au 0.250 0.250 0.250 <coord> |
<forme>-2.14<forme><bg>0.52<bg><abc>5.041 5.041 13.407<abc><angles>100.836 100.836 90.000<angles><comp>Ba3 Zr2 S7<comp><coord>Ba 0.819 0.819 0.638 Ba 0.181 0.181 0.362 Ba 0.000 0.000 0.000 Zr 0.600 0.600 0.201 Zr 0.400 0.400 0.799 S 0.500 0.500 0.000 S 0.698 0.698 0.396 S 0.302 0.302 0.604 S 0.096 0.596 0.192 S 0.596 0.096 0.192 S 0.404 0.904 0.808 S 0.904 0.404 0.808 <coord> |
<forme>0.07<forme><bg>0.0<bg><abc>6.499 6.499 6.499<abc><angles>60.000 60.000 60.000<angles><comp>Ba1 Eu3<comp><coord>Ba 0.000 0.000 0.000 Eu 0.750 0.750 0.750 Eu 0.250 0.250 0.250 Eu 0.500 0.500 0.500 <coord> |
<forme>-0.66<forme><bg>0.05<bg><abc>4.080 7.325 10.420<abc><angles>98.303 101.291 90.000<angles><comp>Hf2 Cu4 Te6<comp><coord>Hf 0.646 0.055 0.292 Hf 0.354 0.945 0.708 Cu 0.713 0.426 0.427 Cu 0.287 0.574 0.573 Cu 0.049 0.149 0.098 Cu 0.951 0.851 0.902 Te 0.751 0.786 0.501 Te 0.919 0.180 0.837 Te 0.584 0.365 0.167 Te 0.249 0.214 0.499 Te 0.416 0.635 0.833 Te 0.081 0.820 0.163 <coord> |
<forme>-0.44<forme><bg>0.0<bg><abc>5.055 5.055 5.055<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Pm2 Ir1<comp><coord>Li 0.000 0.000 0.000 Pm 0.750 0.750 0.750 Pm 0.250 0.250 0.250 Ir 0.500 0.500 0.500 <coord> |
<forme>-1.63<forme><bg>0.55<bg><abc>6.764 6.764 6.764<abc><angles>109.471 109.471 109.471<angles><comp>Cu3 Sn4 Pb1 O12<comp><coord>Cu 0.500 0.000 0.500 Cu 0.000 0.500 0.500 Cu 0.500 0.500 0.000 Sn 0.500 0.000 0.000 Sn 0.000 0.000 0.500 Sn 0.500 0.500 0.500 Sn 1.000 0.500 0.000 Pb 0.000 0.000 0.000 O 0.140 0.314 0.827 O 0.513 0.686 0.827 O 0.827 0.513 0.686 O 0.173 0.860 0.686 O 0.314 0.173 0.487 O 0.173 0.487 0.314 O 0.487 0.314 0.173 O 0.686 0.173 0.860 O 0.314 0.827 0.140 O 0.860 0.686 0.173 O 0.827 0.140 0.314 O 0.686 0.827 0.513 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>3.941 4.959 4.959<abc><angles>60.000 90.000 90.000<angles><comp>Nd1 Ni5<comp><coord>Nd 0.000 0.000 0.000 Ni 1.000 0.667 0.667 Ni 1.000 0.333 0.333 Ni 0.500 0.500 0.000 Ni 0.500 0.000 0.500 Ni 0.500 0.500 0.500 <coord> |
<forme>-1.05<forme><bg>2.02<bg><abc>3.855 3.855 25.251<abc><angles>85.622 85.622 60.000<angles><comp>Zn8 S8<comp><coord>Zn 0.292 0.292 0.125 Zn 0.708 0.708 0.875 Zn 0.417 0.417 0.750 Zn 0.542 0.542 0.375 Zn 0.000 0.000 1.000 Zn 0.833 0.833 0.500 Zn 0.917 0.917 0.250 Zn 0.125 0.125 0.625 S 0.573 0.573 0.281 S 0.156 0.156 0.531 S 0.740 0.740 0.781 S 0.865 0.865 0.406 S 0.448 0.448 0.656 S 0.323 0.323 0.031 S 0.031 0.031 0.906 S 0.948 0.948 0.156 <coord> |
<forme>-0.51<forme><bg>0.0<bg><abc>4.193 4.193 5.942<abc><angles>110.660 110.660 90.000<angles><comp>Sr1 Ni2 Ge2<comp><coord>Sr 0.000 0.000 0.000 Ni 0.250 0.750 0.500 Ni 0.750 0.250 0.500 Ge 0.640 0.640 0.280 Ge 0.360 0.360 0.720 <coord> |
<forme>-0.79<forme><bg>0.27<bg><abc>3.358 3.358 38.297<abc><angles>90.000 90.000 120.000<angles><comp>Te4 Mo3 W1 S4<comp><coord>Te 0.333 0.667 0.955 Te 0.333 0.667 0.580 Te 0.333 0.667 0.857 Te 0.333 0.667 0.481 Mo 0.667 0.333 0.906 Mo 0.667 0.333 0.530 Mo 0.333 0.667 0.718 W 0.333 0.667 0.342 S 0.667 0.333 0.679 S 0.667 0.333 0.303 S 0.667 0.333 0.758 S 0.667 0.333 0.382 <coord> |
<forme>-0.24<forme><bg>0.0<bg><abc>5.243 5.243 5.243<abc><angles>60.000 60.000 60.000<angles><comp>La1 Ce1 Zn2<comp><coord>La 0.000 0.000 0.000 Ce 0.500 0.500 0.500 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>5.046 6.455 6.455<abc><angles>78.629 66.993 66.993<angles><comp>Dy1 Ga6 Co6<comp><coord>Dy 0.000 0.000 0.000 Ga 0.345 0.655 0.655 Ga 0.655 0.345 0.345 Ga 0.000 0.341 0.659 Ga 0.000 0.659 0.341 Ga 0.687 0.813 0.813 Ga 0.313 0.187 0.187 Co 0.500 0.761 0.239 Co 0.500 0.239 0.761 Co 1.000 0.000 0.500 Co 0.500 0.500 0.000 Co 1.000 0.500 1.000 Co 0.500 0.000 0.500 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>4.734 4.734 4.734<abc><angles>60.000 60.000 60.000<angles><comp>Sc2 Ga1 Pd1<comp><coord>Sc 0.750 0.750 0.750 Sc 0.250 0.250 0.250 Ga 0.500 0.500 0.500 Pd 0.000 0.000 0.000 <coord> |
<forme>-1.23<forme><bg>0.0<bg><abc>5.211 5.211 5.211<abc><angles>99.741 119.829 99.739<angles><comp>Na1 Ni5 O6<comp><coord>Na 0.167 0.500 0.833 Ni 0.834 0.500 0.166 Ni 0.667 1.000 0.333 Ni 0.002 0.000 0.998 Ni 0.331 1.000 0.669 Ni 0.499 0.500 0.501 O 0.431 0.234 0.098 O 0.902 0.766 0.569 O 0.258 0.760 0.280 O 0.081 0.242 0.391 O 0.609 0.758 0.919 O 0.720 0.240 0.742 <coord> |
<forme>-1.37<forme><bg>2.85<bg><abc>6.369 6.369 6.455<abc><angles>60.439 60.439 60.000<angles><comp>K2 I2 O6<comp><coord>K 0.748 0.748 0.757 K 0.248 0.248 0.257 I 0.002 0.002 0.993 I 0.502 0.502 0.493 O 0.257 0.767 0.833 O 0.767 0.143 0.833 O 0.143 0.257 0.833 O 0.643 0.267 0.333 O 0.267 0.757 0.333 O 0.757 0.643 0.333 <coord> |
<forme>-1.94<forme><bg>0.0<bg><abc>5.454 5.454 7.243<abc><angles>71.218 71.218 70.825<angles><comp>Mn6 O10 F2<comp><coord>Mn 0.674 0.674 0.844 Mn 0.328 0.328 0.669 Mn 0.656 0.656 0.320 Mn 0.331 0.331 0.163 Mn 0.004 0.004 0.508 Mn 0.005 0.005 0.991 O 0.639 0.027 0.667 O 0.971 0.362 0.335 O 0.231 0.231 0.961 O 0.103 0.103 0.705 O 0.773 0.773 0.034 O 0.431 0.431 0.372 O 0.362 0.971 0.335 O 0.027 0.639 0.667 O 0.696 0.308 1.000 O 0.308 0.696 1.000 F 0.895 0.895 0.296 F 0.567 0.567 0.633 <coord> |
<forme>-0.57<forme><bg>0.0<bg><abc>5.072 5.072 5.072<abc><angles>60.000 60.000 60.000<angles><comp>Eu1 Cd1 Au2<comp><coord>Eu 0.500 0.500 0.500 Cd 0.000 0.000 0.000 Au 0.750 0.750 0.750 Au 0.250 0.250 0.250 <coord> |
<forme>-0.81<forme><bg>1.65<bg><abc>6.535 6.535 15.169<abc><angles>90.000 90.000 120.000<angles><comp>Sc2 Ag2 P4 Se12<comp><coord>Sc 0.000 0.000 0.750 Sc 0.000 0.000 0.250 Ag 0.667 0.333 0.250 Ag 0.333 0.667 0.750 P 0.333 0.667 0.324 P 0.333 0.667 0.176 P 0.667 0.333 0.676 P 0.667 0.333 0.824 Se 0.329 0.024 0.867 Se 0.976 0.671 0.633 Se 0.976 0.305 0.867 Se 0.671 0.976 0.133 Se 0.305 0.329 0.133 Se 0.671 0.695 0.367 Se 0.305 0.976 0.367 Se 0.024 0.329 0.367 Se 0.695 0.671 0.867 Se 0.329 0.305 0.633 Se 0.024 0.695 0.133 Se 0.695 0.024 0.633 <coord> |
<forme>-1.05<forme><bg>0.0<bg><abc>4.617 7.385 8.103<abc><angles>90.000 90.000 90.000<angles><comp>Sm4 Sn4 Pt4<comp><coord>Sm 0.750 0.489 0.803 Sm 0.250 0.011 0.303 Sm 0.750 0.989 0.697 Sm 0.250 0.511 0.197 Sn 0.250 0.678 0.584 Sn 0.250 0.178 0.916 Sn 0.750 0.322 0.416 Sn 0.750 0.822 0.084 Pt 0.250 0.787 0.909 Pt 0.250 0.287 0.591 Pt 0.750 0.713 0.409 Pt 0.750 0.213 0.091 <coord> |
<forme>-0.27<forme><bg>0.06<bg><abc>4.432 4.432 14.025<abc><angles>80.910 80.910 60.000<angles><comp>Bi2 Sb2 Te3<comp><coord>Bi 0.854 0.854 0.438 Bi 0.146 0.146 0.562 Sb 0.714 0.714 0.859 Sb 0.286 0.286 0.141 Te 0.579 0.579 0.262 Te 0.421 0.421 0.738 Te 0.000 0.000 0.000 <coord> |
<forme>-0.46<forme><bg>3.42<bg><abc>5.986 6.323 6.497<abc><angles>77.406 62.571 61.749<angles><comp>Ca2 N12<comp><coord>Ca 0.000 0.000 0.000 Ca 0.750 0.500 0.500 N 0.595 0.367 0.250 N 0.213 0.633 0.750 N 0.124 0.500 0.753 N 0.376 0.500 0.247 N 0.626 0.000 0.747 N 0.374 1.000 0.253 N 0.596 0.867 0.250 N 0.713 0.133 0.750 N 0.537 0.867 0.750 N 0.155 0.133 0.250 N 0.154 0.633 0.250 N 0.037 0.367 0.750 <coord> |
<forme>0.0<forme><bg>0.0<bg><abc>3.864 4.095 3.864<abc><angles>118.151 90.000 118.151<angles><comp>Sn1 P1<comp><coord>Sn 0.002 0.004 0.002 P 0.570 0.140 0.570 <coord> |
<forme>-0.16<forme><bg>0.0<bg><abc>4.503 4.697 5.561<abc><angles>90.000 90.000 90.000<angles><comp>Zn4 Cu2 Au2<comp><coord>Zn 0.500 0.819 0.750 Zn 0.500 0.819 0.250 Zn 0.000 0.181 0.250 Zn 0.000 0.181 0.750 Cu 0.000 0.686 0.500 Cu 0.500 0.314 0.000 Au 0.500 0.322 0.500 Au 0.000 0.678 0.000 <coord> |
<forme>-3.02<forme><bg>2.19<bg><abc>3.650 7.102 8.884<abc><angles>78.052 78.145 75.110<angles><comp>Y4 Hg2 O8<comp><coord>Y 0.619 0.223 0.538 Y 0.159 0.481 0.201 Y 0.841 0.519 0.799 Y 0.381 0.777 0.462 Hg 0.887 0.066 0.161 Hg 0.113 0.934 0.839 O 0.233 0.147 0.388 O 0.797 0.352 0.055 O 0.035 0.212 0.718 O 0.582 0.488 0.347 O 0.418 0.512 0.653 O 0.965 0.788 0.282 O 0.203 0.648 0.945 O 0.767 0.853 0.612 <coord> |
<forme>0.03<forme><bg>0.0<bg><abc>5.597 6.206 6.206<abc><angles>120.000 90.000 90.000<angles><comp>Y5 Mg1<comp><coord>Y 0.500 0.324 0.324 Y 0.500 0.676 0.000 Y 0.500 0.000 0.676 Y 0.000 0.333 0.667 Y 0.000 0.667 0.333 Mg 0.000 0.000 0.000 <coord> |
<forme>-1.63<forme><bg>0.53<bg><abc>5.476 5.476 7.407<abc><angles>100.020 108.556 109.523<angles><comp>Na1 Cu2 H3 S2 O10<comp><coord>Na 1.000 0.500 0.500 Cu 0.994 0.497 0.998 Cu 0.501 0.004 0.998 H 0.516 0.707 0.223 H 0.487 0.292 0.779 H 0.491 0.517 0.008 S 0.209 0.090 0.299 S 0.791 0.910 0.700 O 0.308 0.208 0.516 O 0.692 0.792 0.484 O 0.417 0.658 0.075 O 0.584 0.343 0.928 O 0.460 0.174 0.243 O 0.069 0.783 0.243 O 0.540 0.826 0.757 O 0.931 0.217 0.757 O 0.002 0.192 0.193 O 0.998 0.808 0.806 <coord> |
<forme>-3.01<forme><bg>2.21<bg><abc>5.962 6.728 6.728<abc><angles>90.000 90.000 90.000<angles><comp>Ba2 Sm4 Pd2 O10<comp><coord>Ba 0.000 0.500 0.500 Ba 0.000 0.000 0.000 Sm 0.500 0.674 0.174 Sm 0.500 0.174 0.326 Sm 0.500 0.826 0.674 Sm 0.500 0.326 0.826 Pd 0.000 0.000 0.500 Pd 0.000 0.500 0.000 O 0.500 0.500 0.500 O 0.500 0.000 0.000 O 0.255 0.140 0.640 O 0.255 0.860 0.360 O 0.255 0.360 0.140 O 0.255 0.640 0.860 O 0.745 0.140 0.640 O 0.745 0.640 0.860 O 0.745 0.860 0.360 O 0.745 0.360 0.140 <coord> |
<forme>-0.39<forme><bg>0.0<bg><abc>3.981 4.078 8.926<abc><angles>90.000 102.885 90.000<angles><comp>Ce2 Cu4 Si2<comp><coord>Ce 0.610 0.250 0.220 Ce 0.390 0.750 0.780 Cu 0.962 0.250 0.925 Cu 0.038 0.750 0.075 Cu 0.249 0.250 0.499 Cu 0.751 0.750 0.501 Si 0.826 0.250 0.652 Si 0.174 0.750 0.348 <coord> |
<forme>-0.46<forme><bg>0.0<bg><abc>3.350 5.155 5.581<abc><angles>90.000 90.000 90.000<angles><comp>Si4 Ni4<comp><coord>Si 0.750 0.322 0.917 Si 0.750 0.822 0.583 Si 0.250 0.678 0.083 Si 0.250 0.178 0.417 Ni 0.250 0.009 0.812 Ni 0.250 0.509 0.688 Ni 0.750 0.991 0.188 Ni 0.750 0.491 0.312 <coord> |
<forme>-0.48<forme><bg>0.0<bg><abc>4.576 8.710 9.160<abc><angles>90.000 90.000 105.231<angles><comp>La4 Zn10 Sn2<comp><coord>La 0.793 0.586 0.750 La 0.207 0.414 0.250 La 0.000 0.000 0.500 La 0.000 0.000 0.000 Zn 0.185 0.370 0.608 Zn 0.815 0.630 0.392 Zn 0.185 0.370 0.892 Zn 0.815 0.630 0.108 Zn 0.344 0.688 0.514 Zn 0.656 0.312 0.486 Zn 0.344 0.688 0.986 Zn 0.656 0.312 0.014 Zn 0.602 0.205 0.750 Zn 0.398 0.795 0.250 Sn 0.444 0.887 0.750 Sn 0.556 0.113 0.250 <coord> |
<forme>-3.03<forme><bg>0.0<bg><abc>4.262 4.262 5.434<abc><angles>113.092 113.092 90.000<angles><comp>Li2 Mg1 Zr1 O4<comp><coord>Li 0.500 0.500 0.000 Li 0.750 0.250 0.500 Mg 0.250 0.750 0.500 Zr 0.000 0.000 0.000 O 0.768 0.768 0.535 O 0.013 0.513 0.026 O 0.487 0.987 0.974 O 0.232 0.232 0.465 <coord> |
<forme>0.03<forme><bg>0.0<bg><abc>2.500 2.500 4.144<abc><angles>90.000 90.000 120.000<angles><comp>Cu1 Ni1<comp><coord>Cu 0.667 0.333 0.500 Ni 0.000 0.000 0.000 <coord> |
<forme>-3.74<forme><bg>4.03<bg><abc>5.154 5.519 5.345<abc><angles>90.000 83.420 90.000<angles><comp>Dy2 Ta2 O8<comp><coord>Dy 0.000 0.233 0.250 Dy 0.000 0.767 0.750 Ta 0.500 0.307 0.750 Ta 0.500 0.693 0.250 O 0.731 0.435 0.995 O 0.269 0.435 0.505 O 0.269 0.565 0.005 O 0.731 0.565 0.495 O 0.250 0.914 0.399 O 0.750 0.914 0.101 O 0.750 0.086 0.601 O 0.250 0.086 0.899 <coord> |
<forme>-0.37<forme><bg>0.0<bg><abc>5.135 5.135 5.135<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Pr2 Ir1<comp><coord>Li 0.000 0.000 0.000 Pr 0.750 0.750 0.750 Pr 0.250 0.250 0.250 Ir 0.500 0.500 0.500 <coord> |
<forme>-1.0<forme><bg>0.81<bg><abc>3.755 5.734 11.410<abc><angles>90.000 90.000 109.111<angles><comp>Na4 Pd2 Se4<comp><coord>Na 0.564 0.128 0.371 Na 0.436 0.872 0.871 Na 0.175 0.351 0.097 Na 0.825 0.649 0.597 Pd 0.864 0.727 0.251 Pd 0.136 0.273 0.751 Se 0.278 0.557 0.372 Se 0.722 0.443 0.872 Se 0.451 0.901 0.130 Se 0.549 0.099 0.630 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>3.414 3.499 11.767<abc><angles>92.639 96.060 90.146<angles><comp>Lu4 B3 C4<comp><coord>Lu 0.805 0.025 0.650 Lu 0.385 0.554 0.859 Lu 0.615 0.446 0.141 Lu 0.195 0.975 0.350 B 0.267 0.507 0.540 B 0.733 0.493 0.460 B 0.000 0.000 0.000 C 0.886 0.064 0.879 C 0.688 0.472 0.331 C 0.312 0.528 0.669 C 0.114 0.936 0.121 <coord> |
<forme>-1.04<forme><bg>0.0<bg><abc>4.036 6.392 9.667<abc><angles>90.000 96.790 90.000<angles><comp>Ce4 P8<comp><coord>Ce 0.217 0.682 0.138 Ce 0.783 0.318 0.862 Ce 0.283 0.182 0.362 Ce 0.717 0.818 0.638 P 0.208 0.150 0.671 P 0.792 0.850 0.329 P 0.148 0.630 0.449 P 0.352 0.130 0.051 P 0.708 0.350 0.171 P 0.648 0.870 0.949 P 0.852 0.370 0.551 P 0.292 0.650 0.829 <coord> |
<forme>-0.51<forme><bg>0.0<bg><abc>5.403 5.403 7.462<abc><angles>90.000 90.000 90.000<angles><comp>Er2 B8 Ir8<comp><coord>Er 0.000 0.000 0.000 Er 0.500 0.500 0.500 B 0.827 0.500 0.153 B 0.173 0.500 0.153 B 0.000 0.327 0.653 B 0.000 0.673 0.653 B 0.673 0.000 0.347 B 0.327 0.000 0.347 B 0.500 0.173 0.847 B 0.500 0.827 0.847 Ir 0.251 0.500 0.855 Ir 0.749 0.500 0.855 Ir 0.000 0.751 0.355 Ir 0.000 0.249 0.355 Ir 0.249 0.000 0.645 Ir 0.751 0.000 0.645 Ir 0.500 0.749 0.145 Ir 0.500 0.251 0.145 <coord> |
<forme>-0.94<forme><bg>0.0<bg><abc>3.627 4.481 4.482<abc><angles>119.986 90.000 90.000<angles><comp>Sm1 Ge1 Pd1<comp><coord>Sm 0.000 1.000 0.999 Ge 0.500 0.333 0.667 Pd 0.500 0.667 0.334 <coord> |
<forme>-0.74<forme><bg>0.19<bg><abc>7.234 7.410 8.938<abc><angles>114.489 113.870 90.000<angles><comp>Ba4 Zn2 Bi4<comp><coord>Ba 0.135 0.927 0.270 Ba 0.865 0.073 0.730 Ba 0.365 0.657 0.730 Ba 0.635 0.343 0.270 Zn 0.750 0.500 0.000 Zn 0.250 0.500 0.000 Bi 0.387 0.177 0.773 Bi 0.613 0.823 0.227 Bi 0.113 0.403 0.227 Bi 0.887 0.597 0.773 <coord> |
<forme>-0.51<forme><bg>0.0<bg><abc>3.981 7.700 7.700<abc><angles>90.000 90.000 90.000<angles><comp>Eu2 B8 Ir8<comp><coord>Eu 0.500 0.000 0.000 Eu 0.000 0.500 0.500 B 0.608 0.658 0.779 B 0.892 0.158 0.279 B 0.108 0.279 0.842 B 0.108 0.721 0.158 B 0.608 0.342 0.221 B 0.892 0.842 0.721 B 0.392 0.221 0.658 B 0.392 0.779 0.342 Ir 0.108 0.344 0.111 Ir 0.108 0.656 0.889 Ir 0.608 0.611 0.156 Ir 0.892 0.111 0.656 Ir 0.392 0.156 0.389 Ir 0.392 0.844 0.611 Ir 0.892 0.889 0.344 Ir 0.608 0.389 0.844 <coord> |
<forme>0.06<forme><bg>0.0<bg><abc>4.360 4.360 4.360<abc><angles>60.000 60.000 60.000<angles><comp>Cu3 Sn1<comp><coord>Cu 0.500 0.500 0.500 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750 Sn 0.000 0.000 0.000 <coord> |
<forme>-3.02<forme><bg>0.0<bg><abc>3.938 3.938 16.036<abc><angles>90.000 90.000 90.000<angles><comp>Ba2 Nd2 Ti2 Cu2 O11<comp><coord>Ba 0.500 0.500 0.234 Ba 0.500 0.500 0.766 Nd 0.500 0.500 0.000 Nd 0.500 0.500 0.500 Ti 0.000 0.000 0.626 Ti 0.000 0.000 0.374 Cu 0.000 0.000 0.107 Cu 0.000 0.000 0.893 O 0.500 0.000 0.613 O 0.000 0.500 0.613 O 0.500 0.000 0.904 O 0.000 0.500 0.096 O 0.500 0.000 0.096 O 0.000 0.500 0.387 O 0.000 0.000 0.258 O 0.000 0.000 0.742 O 0.000 0.000 0.500 O 0.500 0.000 0.387 O 0.000 0.500 0.904 <coord> |
<forme>-0.2<forme><bg>0.0<bg><abc>4.352 5.203 6.572<abc><angles>90.000 90.000 90.000<angles><comp>Fe4 Co8 B4<comp><coord>Fe 0.869 0.528 0.250 Fe 0.631 0.028 0.250 Fe 0.131 0.472 0.750 Fe 0.369 0.972 0.750 Co 0.353 0.686 0.060 Co 0.147 0.186 0.440 Co 0.647 0.314 0.560 Co 0.853 0.814 0.940 Co 0.647 0.314 0.940 Co 0.853 0.814 0.560 Co 0.353 0.686 0.440 Co 0.147 0.186 0.060 B 0.071 0.883 0.250 B 0.429 0.383 0.250 B 0.929 0.117 0.750 B 0.571 0.617 0.750 <coord> |
<forme>-2.64<forme><bg>0.0<bg><abc>5.669 5.669 5.669<abc><angles>60.000 60.000 60.000<angles><comp>Sr1 Eu1 Cr1 Sb1 O6<comp><coord>Sr 0.250 0.250 0.250 Eu 0.750 0.750 0.750 Cr 0.000 0.000 0.000 Sb 0.500 0.500 0.500 O 0.252 0.748 0.252 O 0.748 0.252 0.748 O 0.748 0.252 0.252 O 0.252 0.748 0.748 O 0.748 0.748 0.252 O 0.252 0.252 0.748 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>2.467 2.467 3.830<abc><angles>90.000 90.000 120.000<angles><comp>C2<comp><coord>C 0.667 0.333 1.000 C 0.333 0.667 1.000 <coord> |
<forme>-0.95<forme><bg>0.0<bg><abc>4.520 4.520 4.520<abc><angles>60.000 60.000 60.000<angles><comp>Sc1 Al1 Pd2<comp><coord>Sc 0.500 0.500 0.500 Al 0.000 0.000 0.000 Pd 0.250 0.250 0.250 Pd 0.750 0.750 0.750 <coord> |
<forme>-2.22<forme><bg>0.0<bg><abc>7.406 7.406 7.406<abc><angles>70.689 70.449 109.551<angles><comp>Na1 Ce5 S8<comp><coord>Na 0.500 0.250 0.250 Ce 0.378 0.369 0.751 Ce 0.000 0.500 0.500 Ce 0.120 0.751 0.871 Ce 0.622 0.871 0.009 Ce 0.880 0.009 0.369 S 0.902 0.276 0.970 S 0.243 0.483 0.120 S 0.397 0.759 0.483 S 0.754 0.626 0.276 S 0.757 0.637 0.759 S 0.603 0.120 0.637 S 0.246 0.970 0.128 S 0.098 0.128 0.626 <coord> |
<forme>-1.98<forme><bg>3.98<bg><abc>3.853 4.863 6.197<abc><angles>89.681 73.723 89.753<angles><comp>C2 Mn2 O6<comp><coord>C 0.500 0.813 0.250 C 0.500 0.187 0.750 Mn 0.006 0.315 0.250 Mn 0.994 0.685 0.750 O 0.505 0.081 0.249 O 0.495 0.919 0.751 O 0.761 0.675 0.116 O 0.239 0.325 0.884 O 0.766 0.319 0.616 O 0.234 0.681 0.384 <coord> |
<forme>-1.53<forme><bg>0.0<bg><abc>4.061 4.114 4.114<abc><angles>120.000 90.000 90.000<angles><comp>Y1 Te1<comp><coord>Y 1.000 0.667 0.333 Te 0.500 0.333 0.667 <coord> |
<forme>-0.54<forme><bg>0.0<bg><abc>5.877 8.679 8.679<abc><angles>120.000 90.000 90.000<angles><comp>Zr10 Cu2 Sn6<comp><coord>Zr 0.500 0.333 0.667 Zr 0.500 0.667 0.333 Zr 1.000 0.667 0.333 Zr 1.000 0.333 0.667 Zr 0.750 0.266 0.000 Zr 0.750 0.734 0.734 Zr 0.750 1.000 0.266 Zr 0.250 0.734 1.000 Zr 0.250 0.266 0.266 Zr 0.250 0.000 0.734 Cu 0.500 0.000 0.000 Cu 0.000 0.000 0.000 Sn 0.750 0.616 1.000 Sn 0.750 0.384 0.384 Sn 0.750 0.000 0.616 Sn 0.250 0.384 1.000 Sn 0.250 0.616 0.616 Sn 0.250 1.000 0.384 <coord> |
<forme>-1.04<forme><bg>2.15<bg><abc>7.048 7.372 8.740<abc><angles>114.944 113.780 90.000<angles><comp>K4 Zn2 Te4<comp><coord>K 0.141 0.824 0.281 K 0.859 0.176 0.719 K 0.359 0.543 0.719 K 0.641 0.457 0.281 Zn 0.250 1.000 0.000 Zn 0.750 1.000 1.000 Te 0.393 0.087 0.786 Te 0.607 0.913 0.214 Te 0.107 0.300 0.214 Te 0.893 0.700 0.786 <coord> |
<forme>-1.66<forme><bg>0.89<bg><abc>3.951 7.164 15.189<abc><angles>93.464 97.351 105.967<angles><comp>K2 Dy4 Cu4 S9<comp><coord>K 0.744 0.709 0.768 K 0.259 0.283 0.229 Dy 0.400 0.743 0.055 Dy 0.603 0.254 0.945 Dy 0.628 0.862 0.396 Dy 0.368 0.139 0.605 Cu 0.987 0.736 0.229 Cu 0.022 0.262 0.772 Cu 0.884 0.322 0.461 Cu 0.108 0.680 0.539 S 0.283 0.150 0.425 S 0.711 0.850 0.576 S 0.432 0.079 0.778 S 0.983 0.593 0.374 S 0.200 0.495 0.897 S 0.801 0.502 0.104 S 0.571 0.921 0.222 S 0.013 0.409 0.627 S 0.001 0.997 1.000 <coord> |
<forme>-1.87<forme><bg>0.07<bg><abc>4.300 4.300 7.385<abc><angles>73.074 73.074 60.000<angles><comp>Na1 Ce1 Se2<comp><coord>Na 0.500 0.500 0.500 Ce 0.000 0.000 0.000 Se 0.746 0.746 0.763 Se 0.254 0.254 0.237 <coord> |
<forme>-0.79<forme><bg>0.0<bg><abc>5.612 5.785 8.240<abc><angles>80.493 70.092 60.985<angles><comp>Ca4 Ge2 Pd4<comp><coord>Ca 0.730 0.331 0.906 Ca 0.967 0.669 0.094 Ca 0.811 0.169 0.406 Ca 0.386 0.831 0.594 Ge 0.105 0.500 0.500 Ge 0.355 1.000 0.000 Pd 0.311 0.322 0.752 Pd 0.386 0.678 0.248 Pd 0.383 0.178 0.252 Pd 0.814 0.822 0.748 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>4.443 4.443 4.443<abc><angles>60.000 60.000 60.000<angles><comp>Zn1 In1 Rh2<comp><coord>Zn 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>-3.25<forme><bg>8.26<bg><abc>4.995 4.995 11.233<abc><angles>90.000 90.000 120.000<angles><comp>Li3 B3 F12<comp><coord>Li 1.000 0.463 0.333 Li 0.537 0.537 0.667 Li 0.463 0.000 0.000 B 0.461 0.000 0.500 B 1.000 0.461 0.833 B 0.539 0.539 0.167 F 0.425 0.324 0.071 F 0.899 0.575 0.738 F 0.676 0.101 0.405 F 0.324 0.425 0.262 F 0.575 0.899 0.595 F 0.101 0.676 0.929 F 0.754 0.174 0.873 F 0.420 0.246 0.540 F 0.826 0.580 0.206 F 0.174 0.754 0.460 F 0.246 0.420 0.794 F 0.580 0.826 0.127 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>5.475 5.475 6.439<abc><angles>115.162 115.162 90.000<angles><comp>Fe8 Co2 Si2 B4<comp><coord>Fe 0.197 0.029 0.726 Fe 0.529 0.697 0.726 Fe 0.697 0.197 0.726 Fe 0.029 0.529 0.726 Fe 0.803 0.971 0.274 Fe 0.471 0.303 0.274 Fe 0.303 0.803 0.274 Fe 0.971 0.471 0.274 Co 0.500 0.500 0.000 Co 0.000 0.000 0.000 Si 0.250 0.250 0.500 Si 0.750 0.750 0.500 B 0.121 0.379 0.000 B 0.879 0.621 0.000 B 0.621 0.121 0.000 B 0.379 0.879 0.000 <coord> |
<forme>-0.27<forme><bg>0.0<bg><abc>3.892 5.018 5.018<abc><angles>60.000 90.000 90.000<angles><comp>Tm1 Al1 Co4<comp><coord>Tm 0.000 0.333 0.333 Al 0.000 0.667 0.667 Co 0.000 0.000 0.000 Co 0.500 0.327 0.836 Co 0.500 0.836 0.836 Co 0.500 0.836 0.327 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.