text
stringlengths 140
560
|
|---|
<forme>-0.86<forme><bg>0.0<bg><abc>7.847 7.847 7.847<abc><angles>71.731 71.731 71.731<angles><comp>Eu9 Pt6<comp><coord>Eu 0.000 0.000 0.000 Eu 0.202 0.202 0.202 Eu 0.798 0.798 0.798 Eu 0.396 0.667 0.156 Eu 0.667 0.156 0.396 Eu 0.156 0.396 0.667 Eu 0.604 0.333 0.844 Eu 0.333 0.844 0.604 Eu 0.844 0.604 0.333 Pt 0.043 0.842 0.410 Pt 0.842 0.410 0.043 Pt 0.410 0.043 0.842 Pt 0.957 0.158 0.590 Pt 0.158 0.590 0.957 Pt 0.590 0.957 0.158 <coord>
|
<forme>-3.61<forme><bg>6.5<bg><abc>6.335 6.335 6.335<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Na1 Er1 F6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Na 0.000 0.000 0.000 Er 0.500 0.500 0.500 F 0.741 0.741 0.259 F 0.741 0.259 0.259 F 0.259 0.741 0.741 F 0.259 0.741 0.259 F 0.259 0.259 0.741 F 0.741 0.259 0.741 <coord>
|
<forme>-1.86<forme><bg>0.0<bg><abc>4.057 4.057 5.175<abc><angles>113.066 113.066 90.018<angles><comp>Li2 Mn1 Ni1 O4<comp><coord>Li 0.750 0.250 0.500 Li 0.500 0.500 1.000 Mn 0.250 0.750 0.500 Ni 0.000 1.000 1.000 O 0.473 0.973 0.946 O 0.027 0.527 0.054 O 0.761 0.761 0.521 O 0.239 0.239 0.479 <coord>
|
<forme>-0.54<forme><bg>0.0<bg><abc>4.437 4.437 6.188<abc><angles>111.010 111.010 90.000<angles><comp>Nd1 Ge2 Au2<comp><coord>Nd 0.000 0.000 0.000 Ge 0.616 0.616 0.232 Ge 0.384 0.384 0.768 Au 0.750 0.250 0.500 Au 0.250 0.750 0.500 <coord>
|
<forme>-0.12<forme><bg>0.0<bg><abc>3.374 3.374 6.262<abc><angles>105.631 105.631 90.000<angles><comp>Hf2 Hg1<comp><coord>Hf 0.666 0.666 0.332 Hf 0.334 0.334 0.668 Hg 0.000 0.000 0.000 <coord>
|
<forme>-1.79<forme><bg>0.53<bg><abc>2.932 4.667 6.938<abc><angles>94.606 102.201 90.000<angles><comp>Mn3 O6<comp><coord>Mn 0.000 0.000 0.000 Mn 0.658 0.537 0.315 Mn 0.342 0.463 0.685 O 0.913 0.649 0.825 O 0.087 0.351 0.175 O 0.574 0.858 0.149 O 0.426 0.142 0.851 O 0.765 0.287 0.530 O 0.235 0.713 0.470 <coord>
|
<forme>-0.46<forme><bg>0.44<bg><abc>6.588 11.228 13.003<abc><angles>101.343 90.000 90.000<angles><comp>Cs12 Ga2 Sb6<comp><coord>Cs 0.250 0.541 0.078 Cs 0.750 0.459 0.922 Cs 0.250 0.257 0.226 Cs 0.750 0.743 0.774 Cs 0.750 0.439 0.545 Cs 0.250 0.561 0.455 Cs 0.750 0.137 0.022 Cs 0.250 0.863 0.978 Cs 0.750 0.127 0.679 Cs 0.250 0.873 0.321 Cs 0.750 0.084 0.369 Cs 0.250 0.916 0.631 Ga 0.250 0.322 0.721 Ga 0.750 0.678 0.279 Sb 0.750 0.785 0.483 Sb 0.250 0.215 0.517 Sb 0.750 0.436 0.231 Sb 0.250 0.564 0.769 Sb 0.250 0.189 0.875 Sb 0.750 0.811 0.125 <coord>
|
<forme>-0.9<forme><bg>0.0<bg><abc>4.112 4.173 8.868<abc><angles>76.392 90.000 90.000<angles><comp>Pr2 Cu1 Si3 Rh2<comp><coord>Pr 0.750 0.898 0.205 Pr 0.250 0.103 0.795 Cu 0.750 0.534 0.931 Si 0.250 0.466 0.068 Si 0.750 0.676 0.649 Si 0.250 0.324 0.353 Rh 0.750 0.250 0.500 Rh 0.250 0.751 0.499 <coord>
|
<forme>-1.08<forme><bg>1.56<bg><abc>6.091 6.091 6.521<abc><angles>98.958 98.958 119.977<angles><comp>Rh2 Cl6<comp><coord>Rh 0.833 0.167 1.000 Rh 0.167 0.833 1.000 Cl 0.571 0.924 0.212 Cl 0.076 0.429 0.788 Cl 0.783 0.783 0.788 Cl 0.217 0.217 0.212 Cl 0.924 0.571 0.212 Cl 0.429 0.076 0.788 <coord>
|
<forme>-1.32<forme><bg>0.0<bg><abc>5.509 5.509 6.750<abc><angles>114.085 114.085 90.000<angles><comp>U4 P2 S2<comp><coord>U 0.500 1.000 1.000 U 0.000 0.500 0.000 U 0.750 0.750 0.500 U 0.250 0.250 0.500 P 0.250 0.750 0.500 P 0.500 0.500 1.000 S 0.000 0.000 0.000 S 0.750 0.250 0.500 <coord>
|
<forme>-0.7<forme><bg>0.0<bg><abc>2.848 3.455 6.180<abc><angles>97.315 90.000 114.341<angles><comp>Cu1 Au1 O2<comp><coord>Cu 0.500 0.000 0.000 Au 0.000 0.000 0.500 O 0.913 0.827 0.170 O 0.087 0.173 0.830 <coord>
|
<forme>-2.06<forme><bg>1.27<bg><abc>4.607 6.626 6.626<abc><angles>93.105 90.001 90.000<angles><comp>Li10 Mn2 O8<comp><coord>Li 0.776 0.955 0.962 Li 0.676 0.277 0.782 Li 0.176 0.218 0.722 Li 0.724 0.538 0.545 Li 0.750 0.981 0.519 Li 0.224 0.455 0.462 Li 0.324 0.777 0.282 Li 0.824 0.718 0.223 Li 0.276 0.038 0.045 Li 0.250 0.481 0.019 Mn 0.250 0.754 0.746 Mn 0.750 0.254 0.246 O 0.963 0.237 0.994 O 0.463 0.006 0.763 O 0.392 0.482 0.733 O 0.892 0.267 0.518 O 0.037 0.737 0.494 O 0.608 0.982 0.233 O 0.537 0.506 0.263 O 0.108 0.767 0.018 <coord>
|
<forme>0.04<forme><bg>0.0<bg><abc>7.459 7.459 7.459<abc><angles>60.000 60.000 60.000<angles><comp>Rb3 Na1<comp><coord>Rb 0.750 0.750 0.750 Rb 0.250 0.250 0.250 Rb 0.500 0.500 0.500 Na 0.000 0.000 0.000 <coord>
|
<forme>-2.61<forme><bg>1.73<bg><abc>4.746 4.746 4.746<abc><angles>99.607 99.607 99.607<angles><comp>Sr1 Ni1 F6<comp><coord>Sr 0.500 0.500 0.500 Ni 0.000 0.000 0.000 F 0.277 0.277 0.934 F 0.277 0.934 0.277 F 0.723 0.066 0.723 F 0.723 0.723 0.066 F 0.066 0.723 0.723 F 0.934 0.277 0.277 <coord>
|
<forme>-0.3<forme><bg>0.0<bg><abc>4.898 6.067 6.067<abc><angles>75.801 66.191 66.191<angles><comp>La2 Ag4<comp><coord>La 0.462 0.288 0.788 La 0.538 0.712 0.212 Ag 0.835 0.712 0.618 Ag 0.165 0.288 0.382 Ag 0.165 0.882 0.788 Ag 0.835 0.118 0.212 <coord>
|
<forme>-2.32<forme><bg>0.0<bg><abc>3.815 6.792 11.610<abc><angles>104.193 90.000 106.311<angles><comp>Ce1 Ho4 S7<comp><coord>Ce 0.000 0.000 0.000 Ho 0.888 0.775 0.577 Ho 0.112 0.225 0.423 Ho 0.700 0.399 0.811 Ho 0.300 0.601 0.189 S 0.739 0.478 0.354 S 0.261 0.522 0.646 S 0.335 0.670 0.945 S 0.665 0.330 0.055 S 0.044 0.089 0.779 S 0.956 0.911 0.221 S 0.500 0.000 0.500 <coord>
|
<forme>-0.39<forme><bg>0.59<bg><abc>4.359 4.359 17.409<abc><angles>90.000 90.000 120.000<angles><comp>Ge2 Bi2 Te5<comp><coord>Ge 0.667 0.333 0.899 Ge 0.333 0.667 0.101 Bi 0.000 0.000 0.682 Bi 0.000 0.000 0.318 Te 0.667 0.333 0.580 Te 0.333 0.667 0.420 Te 0.667 0.333 0.197 Te 0.333 0.667 0.803 Te 0.000 0.000 0.000 <coord>
|
<forme>-0.38<forme><bg>0.0<bg><abc>5.159 5.159 5.159<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Tb1 In2<comp><coord>Li 0.500 0.500 0.500 Tb 0.000 0.000 0.000 In 0.750 0.750 0.750 In 0.250 0.250 0.250 <coord>
|
<forme>-2.92<forme><bg>0.83<bg><abc>5.416 5.468 7.892<abc><angles>90.000 89.963 89.986<angles><comp>Sr2 Ca2 V4 O12<comp><coord>Sr 0.985 0.503 0.750 Sr 0.485 0.997 0.750 Ca 0.022 0.502 0.250 Ca 0.522 0.998 0.250 V 0.000 0.999 0.495 V 0.500 0.501 0.495 V 0.500 0.501 0.005 V 0.000 0.999 0.005 O 0.003 0.045 0.750 O 0.503 0.455 0.750 O 0.991 0.936 0.250 O 0.490 0.564 0.250 O 0.231 0.714 0.980 O 0.730 0.786 0.519 O 0.230 0.714 0.519 O 0.731 0.786 0.980 O 0.769 0.287 0.466 O 0.269 0.213 0.034 O 0.769 0.287 0.034 O 0.269 0.213 0.466 <coord>
|
<forme>-0.23<forme><bg>0.0<bg><abc>4.437 5.595 5.595<abc><angles>60.000 90.000 90.000<angles><comp>Re6 Pt2<comp><coord>Re 0.750 0.681 0.159 Re 0.750 0.159 0.159 Re 0.750 0.159 0.681 Re 0.250 0.319 0.841 Re 0.250 0.841 0.841 Re 0.250 0.841 0.319 Pt 0.250 0.333 0.333 Pt 0.750 0.667 0.667 <coord>
|
<forme>-0.53<forme><bg>0.0<bg><abc>3.582 6.206 6.319<abc><angles>118.239 106.466 90.000<angles><comp>Fe1 Ni2 Se4<comp><coord>Fe 0.000 0.000 0.000 Ni 0.740 0.712 0.479 Ni 0.260 0.288 0.521 Se 0.635 0.976 0.271 Se 0.365 0.024 0.729 Se 0.885 0.550 0.770 Se 0.115 0.450 0.230 <coord>
|
<forme>-2.21<forme><bg>0.26<bg><abc>3.636 6.390 6.390<abc><angles>120.000 90.000 90.000<angles><comp>Gd2 H6 O6<comp><coord>Gd 0.250 0.333 0.667 Gd 0.750 0.667 0.333 H 0.250 0.274 0.135 H 0.750 0.135 0.860 H 0.250 0.865 0.140 H 0.750 0.726 0.865 H 0.750 0.140 0.274 H 0.250 0.860 0.726 O 0.750 0.083 0.689 O 0.250 0.394 0.083 O 0.250 0.917 0.311 O 0.750 0.606 0.917 O 0.750 0.311 0.394 O 0.250 0.689 0.606 <coord>
|
<forme>-0.74<forme><bg>0.0<bg><abc>3.968 7.598 7.598<abc><angles>120.000 90.000 90.000<angles><comp>Gd3 In3 Rh3<comp><coord>Gd 0.500 0.000 0.592 Gd 0.500 0.408 0.408 Gd 0.500 0.592 1.000 In 0.000 1.000 0.254 In 1.000 0.746 0.746 In 1.000 0.254 1.000 Rh 0.500 0.000 0.000 Rh 1.000 0.333 0.667 Rh 1.000 0.667 0.333 <coord>
|
<forme>-0.92<forme><bg>0.0<bg><abc>4.192 4.276 13.141<abc><angles>99.363 99.179 90.000<angles><comp>La3 Ge4 Rh4<comp><coord>La 0.145 0.645 0.289 La 0.855 0.355 0.711 La 0.000 0.000 0.000 Ge 0.549 0.549 0.098 Ge 0.451 0.451 0.902 Ge 0.698 0.198 0.396 Ge 0.302 0.802 0.604 Rh 0.600 0.100 0.200 Rh 0.750 0.750 0.500 Rh 0.250 0.250 0.500 Rh 0.400 0.900 0.800 <coord>
|
<forme>-0.08<forme><bg>0.0<bg><abc>5.081 5.081 9.067<abc><angles>90.000 90.000 120.000<angles><comp>Mg2 Hg6<comp><coord>Mg 0.667 0.333 0.750 Mg 0.333 0.667 0.250 Hg 0.667 0.333 0.426 Hg 0.333 0.667 0.574 Hg 0.333 0.667 0.926 Hg 0.667 0.333 0.074 Hg 0.000 0.000 0.750 Hg 0.000 0.000 0.250 <coord>
|
<forme>-2.83<forme><bg>1.74<bg><abc>6.162 6.162 6.162<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 Dy1 Bi1 O6<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 Dy 0.500 0.500 0.500 Bi 0.000 0.000 0.000 O 0.244 0.756 0.756 O 0.244 0.756 0.244 O 0.756 0.244 0.756 O 0.756 0.756 0.244 O 0.244 0.244 0.756 O 0.756 0.244 0.244 <coord>
|
<forme>-0.65<forme><bg>0.0<bg><abc>3.889 3.889 5.621<abc><angles>110.242 110.242 90.000<angles><comp>Yb1 Co2 Si2<comp><coord>Yb 0.000 0.000 0.000 Co 0.750 0.250 0.500 Co 0.250 0.750 0.500 Si 0.631 0.631 0.262 Si 0.369 0.369 0.738 <coord>
|
<forme>-3.96<forme><bg>4.46<bg><abc>5.454 5.748 7.988<abc><angles>90.000 90.000 90.000<angles><comp>Dy4 Sc4 O12<comp><coord>Dy 0.980 0.062 0.750 Dy 0.480 0.438 0.250 Dy 0.520 0.562 0.750 Dy 0.020 0.938 0.250 Sc 0.000 0.500 0.500 Sc 0.500 0.000 0.500 Sc 0.500 0.000 0.000 Sc 0.000 0.500 0.000 O 0.691 0.306 0.568 O 0.191 0.194 0.432 O 0.809 0.806 0.932 O 0.309 0.694 0.068 O 0.309 0.694 0.432 O 0.809 0.806 0.568 O 0.191 0.194 0.068 O 0.691 0.306 0.932 O 0.869 0.557 0.250 O 0.369 0.943 0.750 O 0.631 0.057 0.250 O 0.131 0.443 0.750 <coord>
|
<forme>-1.99<forme><bg>2.07<bg><abc>5.184 5.184 7.549<abc><angles>105.356 105.356 98.584<angles><comp>Fe2 P2 H4 O10<comp><coord>Fe 0.500 0.000 0.500 Fe 0.000 0.500 0.000 P 0.082 0.918 0.750 P 0.918 0.082 0.250 H 0.448 0.365 0.796 H 0.635 0.552 0.704 H 0.552 0.635 0.204 H 0.365 0.448 0.296 O 0.173 0.237 0.849 O 0.763 0.827 0.651 O 0.827 0.763 0.151 O 0.237 0.173 0.349 O 0.229 0.842 0.599 O 0.158 0.771 0.901 O 0.771 0.158 0.401 O 0.842 0.229 0.099 O 0.616 0.384 0.750 O 0.384 0.616 0.250 <coord>
|
<forme>-2.55<forme><bg>2.01<bg><abc>5.878 5.878 5.878<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 Ca1 Se1 O6<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 Ca 0.000 0.000 0.000 Se 0.500 0.500 0.500 O 0.278 0.722 0.278 O 0.722 0.278 0.722 O 0.722 0.278 0.278 O 0.278 0.722 0.722 O 0.722 0.722 0.278 O 0.278 0.278 0.722 <coord>
|
<forme>-0.62<forme><bg>0.0<bg><abc>3.948 3.948 6.747<abc><angles>90.000 90.000 120.000<angles><comp>Yb1 Zn1 Cu1 P2<comp><coord>Yb 0.667 0.333 0.004 Zn 0.000 0.000 0.628 Cu 0.333 0.667 0.363 P 0.333 0.667 0.738 P 0.000 0.000 0.267 <coord>
|
<forme>-1.6<forme><bg>0.0<bg><abc>3.859 3.944 11.885<abc><angles>90.000 90.000 90.000<angles><comp>Ba2 Tl1 Cu3 O7<comp><coord>Ba 0.500 0.500 0.182 Ba 0.500 0.500 0.818 Tl 0.500 0.500 0.500 Cu 0.000 0.000 0.354 Cu 0.000 0.000 0.646 Cu 0.000 0.000 0.000 O 0.000 0.500 0.000 O 0.000 0.500 0.375 O 0.000 0.500 0.625 O 0.500 0.000 0.376 O 0.500 0.000 0.624 O 0.000 0.000 0.157 O 0.000 0.000 0.843 <coord>
|
<forme>-0.51<forme><bg>0.0<bg><abc>3.165 4.954 7.105<abc><angles>90.000 90.000 108.632<angles><comp>Cr6 P2 N2<comp><coord>Cr 0.060 0.121 0.750 Cr 0.940 0.879 0.250 Cr 0.373 0.746 0.550 Cr 0.627 0.254 0.450 Cr 0.373 0.746 0.950 Cr 0.627 0.254 0.050 P 0.748 0.496 0.750 P 0.252 0.504 0.250 N 0.000 0.000 0.500 N 0.000 0.000 0.000 <coord>
|
<forme>-2.45<forme><bg>2.38<bg><abc>5.787 5.787 5.787<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 Mo1 Ni1 O6<comp><coord>Ba 0.250 0.250 0.250 Ba 0.750 0.750 0.750 Mo 0.500 0.500 0.500 Ni 1.000 0.000 1.000 O 0.261 0.739 0.739 O 0.261 0.739 0.261 O 0.739 0.739 0.261 O 0.739 0.261 0.261 O 0.739 0.261 0.739 O 0.261 0.261 0.739 <coord>
|
<forme>-3.57<forme><bg>6.52<bg><abc>6.417 6.495 6.417<abc><angles>60.394 90.000 119.606<angles><comp>K1 Rb2 Sc1 F6<comp><coord>K 0.500 0.000 0.500 Rb 0.750 0.500 0.750 Rb 0.250 0.500 0.250 Sc 0.000 0.000 0.000 F 0.160 0.000 0.275 F 0.725 0.000 0.160 F 0.275 0.000 0.840 F 0.840 1.000 0.725 F 0.780 0.560 0.220 F 0.220 0.440 0.780 <coord>
|
<forme>-1.84<forme><bg>1.11<bg><abc>7.677 7.677 10.672<abc><angles>90.000 90.000 90.000<angles><comp>Cs4 In1 Sb1 Cl12<comp><coord>Cs 0.500 0.000 0.781 Cs 0.000 0.500 0.219 Cs 0.500 0.000 0.219 Cs 0.000 0.500 0.781 In 0.000 0.000 0.000 Sb 0.500 0.500 0.500 Cl 0.000 0.000 0.761 Cl 0.500 0.500 0.274 Cl 0.722 0.722 0.500 Cl 0.236 0.236 0.000 Cl 0.722 0.278 0.500 Cl 0.236 0.764 0.000 Cl 0.000 0.000 0.239 Cl 0.500 0.500 0.726 Cl 0.278 0.278 0.500 Cl 0.764 0.764 0.000 Cl 0.278 0.722 0.500 Cl 0.764 0.236 0.000 <coord>
|
<forme>-0.83<forme><bg>4.08<bg><abc>6.143 6.505 7.554<abc><angles>115.505 113.993 90.000<angles><comp>Be2 I4<comp><coord>Be 0.750 0.000 1.000 Be 0.250 0.000 1.000 I 0.891 0.096 0.781 I 0.391 0.686 0.781 I 0.609 0.314 0.219 I 0.109 0.904 0.219 <coord>
|
<forme>0.0<forme><bg>0.0<bg><abc>3.204 4.859 6.967<abc><angles>77.665 76.707 70.751<angles><comp>Re2 Ge4<comp><coord>Re 0.850 0.110 0.190 Re 0.150 0.890 0.810 Ge 0.852 0.758 0.538 Ge 0.148 0.242 0.462 Ge 0.600 0.686 0.114 Ge 0.400 0.314 0.886 <coord>
|
<forme>-0.64<forme><bg>0.06<bg><abc>7.142 7.488 8.755<abc><angles>90.000 90.000 90.000<angles><comp>In4 Ag4 Se8<comp><coord>In 0.613 0.073 0.629 In 0.113 0.927 0.371 In 0.113 0.427 0.129 In 0.613 0.573 0.871 Ag 0.621 0.088 0.130 Ag 0.121 0.912 0.870 Ag 0.121 0.412 0.630 Ag 0.621 0.588 0.370 Se 0.985 0.078 0.622 Se 0.485 0.922 0.378 Se 0.485 0.422 0.122 Se 0.985 0.578 0.878 Se 0.996 0.091 0.122 Se 0.496 0.909 0.878 Se 0.496 0.409 0.622 Se 0.996 0.591 0.378 <coord>
|
<forme>-2.43<forme><bg>0.5<bg><abc>3.971 3.971 15.643<abc><angles>90.000 90.000 90.000<angles><comp>Sr4 Fe3 Cl1 O8<comp><coord>Sr 0.000 0.000 0.612 Sr 0.000 0.000 0.125 Sr 0.000 0.000 0.388 Sr 0.000 0.000 0.875 Fe 0.500 0.500 0.754 Fe 0.500 0.500 0.246 Fe 0.500 0.500 0.500 Cl 0.500 0.500 0.000 O 0.500 0.000 0.500 O 0.500 0.500 0.635 O 0.000 0.500 0.788 O 0.500 0.500 0.365 O 0.500 0.000 0.212 O 0.000 0.500 0.500 O 0.000 0.500 0.212 O 0.500 0.000 0.788 <coord>
|
<forme>-0.44<forme><bg>0.0<bg><abc>4.309 4.309 4.309<abc><angles>60.000 60.000 60.000<angles><comp>Mn1 Ge1 Rh2<comp><coord>Mn 0.500 0.500 0.500 Ge 0.000 0.000 0.000 Rh 0.750 0.750 0.750 Rh 0.250 0.250 0.250 <coord>
|
<forme>-1.09<forme><bg>0.0<bg><abc>3.429 5.905 6.135<abc><angles>89.406 89.996 89.982<angles><comp>Cr2 Li1 S4<comp><coord>Cr 0.500 0.500 0.500 Cr 0.000 1.000 0.500 Li 1.000 0.000 1.000 S 1.000 0.669 0.285 S 0.500 0.167 0.280 S 0.500 0.833 0.720 S 1.000 0.331 0.715 <coord>
|
<forme>-2.68<forme><bg>0.0<bg><abc>4.073 4.073 11.358<abc><angles>100.330 100.330 90.000<angles><comp>K3 Co2 F7<comp><coord>K 0.686 0.686 0.373 K 0.500 0.500 0.000 K 0.314 0.314 0.627 Co 0.096 0.096 0.193 Co 0.904 0.904 0.807 F 0.095 0.595 0.190 F 0.808 0.808 0.616 F 0.405 0.905 0.810 F 0.905 0.405 0.810 F 0.000 0.000 0.000 F 0.192 0.192 0.384 F 0.595 0.095 0.190 <coord>
|
<forme>-2.32<forme><bg>1.2<bg><abc>5.138 5.143 7.892<abc><angles>71.027 83.758 70.364<angles><comp>Li4 Ti2 Fe4 O10<comp><coord>Li 0.500 0.902 0.198 Li 0.497 0.498 0.004 Li 0.002 0.399 0.200 Li 0.002 0.201 0.594 Ti 0.499 0.309 0.389 Ti 0.998 0.998 0.012 Fe 0.504 0.698 0.606 Fe 0.996 0.802 0.393 Fe 0.998 0.601 0.796 Fe 0.501 0.093 0.804 O 0.754 0.339 0.811 O 0.252 0.444 0.590 O 0.744 0.157 0.198 O 0.746 0.973 0.588 O 0.243 0.852 0.813 O 0.233 0.231 0.002 O 0.271 0.057 0.404 O 0.773 0.764 1.000 O 0.735 0.539 0.400 O 0.256 0.645 0.200 <coord>
|
<forme>-0.62<forme><bg>1.69<bg><abc>4.390 4.390 7.132<abc><angles>90.000 90.000 90.000<angles><comp>Na2 Cu2 Te2<comp><coord>Na 0.500 0.000 0.175 Na 0.000 0.500 0.825 Cu 0.000 0.000 0.500 Cu 0.500 0.500 0.500 Te 0.500 0.000 0.723 Te 0.000 0.500 0.277 <coord>
|
<forme>-1.49<forme><bg>0.79<bg><abc>7.784 7.784 7.784<abc><angles>60.000 60.000 60.000<angles><comp>K2 Li1 Tl1 Br6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 Li 0.500 0.500 0.500 Tl 0.000 0.000 0.000 Br 0.252 0.748 0.252 Br 0.252 0.252 0.748 Br 0.748 0.252 0.748 Br 0.252 0.748 0.748 Br 0.748 0.252 0.252 Br 0.748 0.748 0.252 <coord>
|
<forme>-0.53<forme><bg>0.0<bg><abc>3.734 4.983 7.068<abc><angles>90.000 90.000 90.000<angles><comp>Si4 Ni8<comp><coord>Si 0.250 0.289 0.614 Si 0.750 0.711 0.386 Si 0.250 0.789 0.886 Si 0.750 0.211 0.114 Ni 0.250 0.458 0.295 Ni 0.750 0.542 0.705 Ni 0.250 0.958 0.205 Ni 0.750 0.042 0.795 Ni 0.250 0.330 0.940 Ni 0.750 0.670 0.060 Ni 0.250 0.830 0.560 Ni 0.750 0.170 0.440 <coord>
|
<forme>-0.55<forme><bg>0.0<bg><abc>4.305 5.534 8.463<abc><angles>90.000 90.000 112.889<angles><comp>Nd2 Cd4 Pd2<comp><coord>Nd 0.065 0.130 0.750 Nd 0.935 0.870 0.250 Cd 0.356 0.712 0.549 Cd 0.644 0.288 0.451 Cd 0.356 0.712 0.951 Cd 0.644 0.288 0.049 Pd 0.776 0.553 0.750 Pd 0.224 0.447 0.250 <coord>
|
<forme>-0.3<forme><bg>0.0<bg><abc>3.523 3.523 6.734<abc><angles>105.165 105.165 90.000<angles><comp>U2 Pt1 C2<comp><coord>U 0.649 0.649 0.297 U 0.351 0.351 0.703 Pt 0.000 0.000 0.000 C 0.831 0.831 0.663 C 0.169 0.169 0.337 <coord>
|
<forme>-2.45<forme><bg>2.28<bg><abc>4.753 4.753 8.064<abc><angles>107.141 107.141 90.000<angles><comp>Cs2 Hg1 F4<comp><coord>Cs 0.357 0.357 0.714 Cs 0.643 0.643 0.286 Hg 0.000 0.000 0.000 F 0.155 0.155 0.310 F 0.845 0.845 0.690 F 1.000 0.500 0.000 F 0.500 0.000 0.000 <coord>
|
<forme>-2.57<forme><bg>3.27<bg><abc>5.230 5.230 8.492<abc><angles>90.000 90.000 90.000<angles><comp>Sn4 F8<comp><coord>Sn 0.004 0.004 0.500 Sn 0.496 0.504 0.750 Sn 0.504 0.496 0.250 Sn 0.996 0.996 0.000 F 0.743 0.858 0.329 F 0.257 0.142 0.829 F 0.858 0.743 0.671 F 0.358 0.757 0.079 F 0.142 0.257 0.171 F 0.243 0.642 0.421 F 0.757 0.358 0.921 F 0.642 0.243 0.579 <coord>
|
<forme>0.01<forme><bg>0.0<bg><abc>2.798 2.798 9.148<abc><angles>90.000 90.000 120.000<angles><comp>Pd4<comp><coord>Pd 0.000 0.000 0.000 Pd 0.667 0.333 0.750 Pd 0.000 0.000 0.500 Pd 0.333 0.667 0.250 <coord>
|
<forme>-0.84<forme><bg>0.0<bg><abc>3.960 9.480 9.480<abc><angles>61.580 77.944 77.944<angles><comp>Dy7 Te2 Pd2<comp><coord>Dy 0.357 0.908 0.377 Dy 0.643 0.623 0.092 Dy 0.000 0.001 0.999 Dy 0.128 0.287 0.456 Dy 0.872 0.544 0.713 Dy 0.317 0.307 0.060 Dy 0.683 0.940 0.693 Te 0.500 0.262 0.738 Te 1.000 0.663 0.337 Pd 0.237 0.691 0.835 Pd 0.763 0.165 0.309 <coord>
|
<forme>-0.46<forme><bg>0.0<bg><abc>3.937 5.801 7.302<abc><angles>90.000 90.000 109.833<angles><comp>Ho2 Re4 Si2 C2<comp><coord>Ho 0.457 0.913 0.750 Ho 0.543 0.087 0.250 Re 0.174 0.348 0.939 Re 0.826 0.652 0.061 Re 0.826 0.652 0.439 Re 0.174 0.348 0.561 Si 0.735 0.469 0.750 Si 0.265 0.531 0.250 C 0.000 0.000 0.000 C 0.000 0.000 0.500 <coord>
|
<forme>-0.42<forme><bg>0.0<bg><abc>6.063 6.090 6.090<abc><angles>75.657 60.150 60.150<angles><comp>Th4 Au2<comp><coord>Th 0.843 0.815 0.500 Th 0.157 0.185 0.500 Th 0.657 0.500 0.185 Th 0.343 0.500 0.815 Au 0.250 1.000 0.000 Au 0.750 0.000 0.000 <coord>
|
<forme>-1.57<forme><bg>0.94<bg><abc>5.064 5.064 9.559<abc><angles>105.361 105.361 90.000<angles><comp>Sr4 Bi2 O1<comp><coord>Sr 0.167 0.167 0.334 Sr 0.833 0.833 0.666 Sr 0.500 0.000 0.000 Sr 0.000 0.500 0.000 Bi 0.361 0.361 0.723 Bi 0.639 0.639 0.277 O 0.000 0.000 0.000 <coord>
|
<forme>-0.1<forme><bg>0.0<bg><abc>2.779 3.967 4.807<abc><angles>114.369 106.801 90.000<angles><comp>Mo1 Pd2<comp><coord>Mo 0.000 0.000 0.000 Pd 0.665 0.665 0.331 Pd 0.335 0.335 0.669 <coord>
|
<forme>-0.61<forme><bg>0.0<bg><abc>3.994 5.807 5.835<abc><angles>74.620 69.985 69.884<angles><comp>Th2 Fe2 Si2 C1<comp><coord>Th 0.441 0.820 0.298 Th 0.559 0.180 0.702 Fe 0.806 0.311 0.077 Fe 0.194 0.689 0.923 Si 0.828 0.619 0.725 Si 0.172 0.381 0.275 C 0.000 0.000 0.000 <coord>
|
<forme>-1.4<forme><bg>0.0<bg><abc>5.542 5.646 6.264<abc><angles>116.786 116.256 90.000<angles><comp>Li2 Fe2 Cu2 O8<comp><coord>Li 0.855 0.605 0.710 Li 0.145 0.395 0.290 Fe 0.500 0.000 0.000 Fe 0.500 0.500 0.000 Cu 1.000 0.000 0.500 Cu 0.500 1.000 0.500 O 0.724 0.192 0.448 O 0.713 0.738 0.976 O 0.262 0.738 0.976 O 0.724 0.756 0.448 O 0.276 0.244 0.552 O 0.287 0.262 0.024 O 0.738 0.262 0.024 O 0.276 0.808 0.552 <coord>
|
<forme>-2.44<forme><bg>2.09<bg><abc>5.371 5.371 9.242<abc><angles>90.000 90.000 90.000<angles><comp>Pb4 F12<comp><coord>Pb 0.500 0.500 0.250 Pb 0.500 0.500 0.750 Pb 0.000 0.000 0.500 Pb 0.000 0.000 0.000 F 0.205 0.795 0.346 F 0.795 0.205 0.346 F 0.795 0.795 0.154 F 0.205 0.205 0.154 F 0.280 0.720 0.000 F 0.720 0.720 0.500 F 0.280 0.280 0.500 F 0.720 0.280 0.000 F 0.205 0.205 0.846 F 0.205 0.795 0.654 F 0.795 0.205 0.654 F 0.795 0.795 0.846 <coord>
|
<forme>-1.14<forme><bg>0.27<bg><abc>9.154 10.109 9.197<abc><angles>90.000 90.000 116.920<angles><comp>Ba10 Sb8<comp><coord>Ba 0.500 1.000 0.500 Ba 0.000 0.000 0.000 Ba 0.685 0.708 0.336 Ba 0.478 0.292 0.164 Ba 0.815 0.292 0.836 Ba 0.022 0.708 0.664 Ba 0.315 0.292 0.664 Ba 0.522 0.708 0.836 Ba 0.185 0.708 0.164 Ba 0.978 0.292 0.336 Sb 0.113 1.000 0.387 Sb 0.613 1.000 0.113 Sb 0.387 0.000 0.887 Sb 0.887 1.000 0.613 Sb 0.802 0.604 1.000 Sb 0.698 0.396 0.500 Sb 0.198 0.396 1.000 Sb 0.302 0.604 0.500 <coord>
|
<forme>-2.74<forme><bg>2.2<bg><abc>5.486 5.486 5.486<abc><angles>101.034 101.034 101.034<angles><comp>Li6 U1 O6<comp><coord>Li 0.354 0.646 0.000 Li 0.646 0.354 0.000 Li 0.354 0.000 0.646 Li 0.000 0.646 0.354 Li 0.646 0.000 0.354 Li 0.000 0.354 0.646 U 0.000 0.000 0.000 O 0.900 0.269 0.269 O 0.100 0.731 0.731 O 0.731 0.731 0.100 O 0.731 0.100 0.731 O 0.269 0.269 0.900 O 0.269 0.900 0.269 <coord>
|
<forme>-2.97<forme><bg>4.07<bg><abc>6.365 6.365 7.592<abc><angles>90.000 90.000 89.528<angles><comp>Al2 Tl4 F10<comp><coord>Al 0.000 0.000 0.500 Al 0.000 0.000 0.000 Tl 0.510 0.032 0.750 Tl 0.490 0.968 0.250 Tl 0.032 0.510 0.750 Tl 0.968 0.490 0.250 F 0.200 0.200 0.488 F 0.797 0.203 1.000 F 0.010 0.010 0.750 F 0.203 0.797 0.000 F 0.203 0.797 0.500 F 0.797 0.203 0.500 F 0.800 0.800 0.512 F 0.200 0.200 0.012 F 0.800 0.800 0.988 F 0.990 0.990 0.250 <coord>
|
<forme>-0.59<forme><bg>0.0<bg><abc>3.116 5.147 5.792<abc><angles>90.000 90.000 90.000<angles><comp>Mn2 Fe2 P4<comp><coord>Mn 0.000 0.501 0.452 Mn 0.000 0.001 0.548 Fe 0.500 0.498 0.053 Fe 0.500 0.998 0.947 P 0.500 0.313 0.686 P 0.500 0.813 0.314 P 0.000 0.688 0.823 P 0.000 0.188 0.177 <coord>
|
<forme>-2.1<forme><bg>0.44<bg><abc>3.947 3.947 8.057<abc><angles>90.000 90.000 90.000<angles><comp>Er2 Se3<comp><coord>Er 0.500 0.000 0.762 Er 0.000 0.500 0.238 Se 0.000 0.500 0.866 Se 0.500 0.000 0.134 Se 0.500 0.500 0.500 <coord>
|
<forme>-0.52<forme><bg>0.0<bg><abc>4.749 4.749 4.749<abc><angles>60.000 60.000 60.000<angles><comp>Sc2 Zn1 Ga1<comp><coord>Sc 0.750 0.750 0.750 Sc 0.250 0.250 0.250 Zn 0.000 0.000 0.000 Ga 0.500 0.500 0.500 <coord>
|
<forme>-0.11<forme><bg>0.0<bg><abc>4.640 4.640 5.661<abc><angles>90.000 90.000 120.000<angles><comp>U2 Ga2 Cu2<comp><coord>U 0.000 0.000 0.500 U 0.000 0.000 0.000 Ga 0.667 0.333 0.250 Ga 0.333 0.667 0.750 Cu 0.667 0.333 0.750 Cu 0.333 0.667 0.250 <coord>
|
<forme>-3.07<forme><bg>0.0<bg><abc>5.974 5.974 5.974<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 Tm1 Mo1 O6<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 Tm 0.500 0.500 0.500 Mo 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>-2.85<forme><bg>1.56<bg><abc>4.029 4.029 4.219<abc><angles>90.000 90.000 90.000<angles><comp>K1 Nb1 O3<comp><coord>K 0.500 0.500 0.505 Nb 0.000 0.000 0.022 O 0.500 0.000 0.973 O 0.000 0.500 0.973 O 0.000 0.000 0.463 <coord>
|
<forme>-3.39<forme><bg>2.32<bg><abc>3.870 3.870 13.605<abc><angles>90.000 90.000 90.000<angles><comp>K2 La2 Ti2 O8<comp><coord>K 0.750 0.750 0.405 K 0.250 0.250 0.595 La 0.750 0.750 0.104 La 0.250 0.250 0.896 Ti 0.250 0.250 0.257 Ti 0.750 0.750 0.743 O 0.750 0.250 0.226 O 0.250 0.750 0.226 O 0.250 0.750 0.774 O 0.750 0.250 0.774 O 0.750 0.750 0.613 O 0.250 0.250 0.387 O 0.750 0.750 0.933 O 0.250 0.250 0.067 <coord>
|
<forme>-1.66<forme><bg>3.75<bg><abc>4.942 4.942 8.677<abc><angles>90.000 90.000 118.877<angles><comp>K2 I2<comp><coord>K 0.500 0.500 0.500 K 0.500 0.500 0.000 I 0.160 0.840 0.750 I 0.840 0.160 0.250 <coord>
|
<forme>-0.34<forme><bg>0.0<bg><abc>5.042 5.042 5.042<abc><angles>60.000 60.000 60.000<angles><comp>Tm2 Zn1 Ag1<comp><coord>Tm 0.250 0.250 0.250 Tm 0.750 0.750 0.750 Zn 0.000 0.000 0.000 Ag 0.500 0.500 0.500 <coord>
|
<forme>-0.81<forme><bg>0.0<bg><abc>3.493 5.888 6.700<abc><angles>90.000 90.000 90.000<angles><comp>V4 Fe4 P4<comp><coord>V 0.750 0.474 0.674 V 0.750 0.974 0.826 V 0.250 0.526 0.326 V 0.250 0.026 0.174 Fe 0.750 0.357 0.062 Fe 0.750 0.857 0.438 Fe 0.250 0.643 0.938 Fe 0.250 0.143 0.562 P 0.750 0.730 0.125 P 0.750 0.230 0.375 P 0.250 0.270 0.875 P 0.250 0.770 0.625 <coord>
|
<forme>-1.06<forme><bg>1.01<bg><abc>5.104 6.323 11.822<abc><angles>90.000 90.000 90.000<angles><comp>Cs4 Te4<comp><coord>Cs 0.500 0.822 0.364 Cs 0.500 0.178 0.636 Cs 0.500 0.322 0.136 Cs 0.500 0.678 0.864 Te 0.000 0.365 0.405 Te 0.000 0.635 0.595 Te 0.000 0.865 0.095 Te 0.000 0.135 0.905 <coord>
|
<forme>-0.74<forme><bg>0.0<bg><abc>4.246 4.263 8.638<abc><angles>75.712 90.000 90.000<angles><comp>Pr2 Ni2 Ge4<comp><coord>Pr 0.250 0.892 0.217 Pr 0.750 0.108 0.783 Ni 0.250 0.682 0.637 Ni 0.750 0.318 0.363 Ge 0.250 0.542 0.915 Ge 0.750 0.458 0.085 Ge 0.250 0.251 0.499 Ge 0.750 0.749 0.501 <coord>
|
<forme>-0.3<forme><bg>0.0<bg><abc>5.211 5.211 5.211<abc><angles>60.000 60.000 60.000<angles><comp>Sm2 Zn1 Ag1<comp><coord>Sm 0.750 0.750 0.750 Sm 0.250 0.250 0.250 Zn 0.000 0.000 0.000 Ag 0.500 0.500 0.500 <coord>
|
<forme>-0.01<forme><bg>0.0<bg><abc>3.505 3.505 4.351<abc><angles>113.752 113.752 90.000<angles><comp>Cr1 Ni3<comp><coord>Cr 0.000 0.000 0.000 Ni 0.500 0.500 0.000 Ni 0.750 0.250 0.500 Ni 0.250 0.750 0.500 <coord>
|
<forme>-3.72<forme><bg>6.6<bg><abc>6.225 6.273 8.874<abc><angles>90.000 90.000 89.608<angles><comp>K4 Ca4 F12<comp><coord>K 0.000 0.530 0.250 K 1.000 0.470 0.750 K 0.503 0.025 0.250 K 0.497 0.975 0.750 Ca 0.000 0.000 0.500 Ca 0.000 0.000 0.000 Ca 0.500 0.500 0.500 Ca 0.500 0.500 1.000 F 0.065 0.962 0.250 F 0.935 0.038 0.750 F 0.431 0.503 0.250 F 0.569 0.497 0.750 F 0.300 0.201 0.523 F 0.700 0.799 0.477 F 0.700 0.799 0.023 F 0.300 0.201 0.977 F 0.798 0.297 0.458 F 0.202 0.703 0.542 F 0.202 0.703 0.958 F 0.798 0.297 0.042 <coord>
|
<forme>-0.65<forme><bg>0.0<bg><abc>4.108 4.108 7.866<abc><angles>90.000 90.000 90.000<angles><comp>Sm2 Ti2 Ge2<comp><coord>Sm 0.000 0.500 0.345 Sm 0.500 0.000 0.655 Ti 0.500 0.500 0.000 Ti 0.000 0.000 0.000 Ge 0.500 0.000 0.233 Ge 0.000 0.500 0.767 <coord>
|
<forme>-2.13<forme><bg>1.77<bg><abc>3.058 4.345 11.046<abc><angles>101.344 97.957 90.000<angles><comp>Mg3 Fe4 O7<comp><coord>Mg 0.355 0.358 0.717 Mg 0.502 0.500 1.000 Mg 0.638 0.642 0.283 Fe 0.073 0.073 0.145 Fe 0.928 0.927 0.855 Fe 0.228 0.217 0.433 Fe 0.795 0.783 0.567 O 0.486 1.000 0.000 O 0.665 0.145 0.290 O 0.777 0.290 0.579 O 0.072 0.571 0.143 O 0.929 0.429 0.857 O 0.375 0.855 0.710 O 0.197 0.710 0.421 <coord>
|
<forme>-0.57<forme><bg>0.0<bg><abc>4.093 7.186 15.078<abc><angles>98.826 90.000 106.546<angles><comp>Ag1 Bi6 S9<comp><coord>Ag 0.500 0.000 0.500 Bi 0.147 0.294 0.064 Bi 0.441 0.883 0.190 Bi 0.853 0.706 0.936 Bi 0.250 0.500 0.617 Bi 0.750 0.500 0.383 Bi 0.559 0.117 0.810 S 0.791 0.583 0.115 S 0.385 0.770 0.353 S 0.079 0.157 0.226 S 0.615 0.230 0.647 S 0.209 0.417 0.885 S 0.143 0.287 0.458 S 0.921 0.843 0.774 S 0.500 0.000 0.000 S 0.857 0.713 0.542 <coord>
|
<forme>-2.41<forme><bg>1.94<bg><abc>3.319 5.076 5.938<abc><angles>67.787 80.320 82.431<angles><comp>Ca1 Mn2 O4<comp><coord>Ca 0.250 0.250 0.500 Mn 0.555 0.531 0.960 Mn 0.945 0.969 0.040 O 0.103 0.782 0.801 O 0.397 0.718 0.199 O 0.657 0.274 0.783 O 0.843 0.226 0.217 <coord>
|
<forme>-3.69<forme><bg>3.42<bg><abc>5.897 5.897 5.897<abc><angles>60.000 60.000 60.000<angles><comp>Sr2 Hf1 Zr1 O6<comp><coord>Sr 0.750 0.750 0.750 Sr 0.250 0.250 0.250 Hf 0.000 0.000 0.000 Zr 0.500 0.500 0.500 O 0.248 0.752 0.248 O 0.752 0.248 0.752 O 0.752 0.248 0.248 O 0.248 0.752 0.752 O 0.752 0.752 0.248 O 0.248 0.248 0.752 <coord>
|
<forme>0.02<forme><bg>0.0<bg><abc>3.162 3.162 3.162<abc><angles>92.556 92.556 92.556<angles><comp>Hg1<comp><coord>Hg 0.000 0.000 0.000 <coord>
|
<forme>-2.26<forme><bg>0.0<bg><abc>3.961 3.961 12.397<abc><angles>99.193 99.193 90.000<angles><comp>Sr3 Co2 Cl2 O5<comp><coord>Sr 0.153 0.153 0.306 Sr 0.847 0.847 0.694 Sr 0.000 0.000 0.000 Co 0.423 0.423 0.847 Co 0.577 0.577 0.153 Cl 0.701 0.701 0.402 Cl 0.299 0.299 0.598 O 0.586 0.086 0.173 O 0.414 0.914 0.827 O 0.086 0.586 0.173 O 0.500 0.500 0.000 O 0.914 0.414 0.827 <coord>
|
<forme>-2.29<forme><bg>0.0<bg><abc>3.706 6.442 11.310<abc><angles>104.178 90.000 106.719<angles><comp>Er3 Sc2 S7<comp><coord>Er 0.304 0.608 0.198 Er 0.696 0.392 0.802 Er 0.000 0.000 0.000 Sc 0.112 0.223 0.429 Sc 0.888 0.777 0.571 S 0.338 0.677 0.948 S 0.662 0.323 0.052 S 0.262 0.523 0.641 S 0.738 0.477 0.359 S 0.033 0.066 0.778 S 0.967 0.934 0.222 S 0.500 0.000 0.500 <coord>
|
<forme>-0.3<forme><bg>0.0<bg><abc>3.374 3.374 10.650<abc><angles>99.115 99.115 90.000<angles><comp>Er2 Mg2 Ru1<comp><coord>Er 0.579 0.579 0.157 Er 0.421 0.421 0.843 Mg 0.799 0.799 0.597 Mg 0.201 0.201 0.403 Ru 0.000 0.000 0.000 <coord>
|
<forme>-0.66<forme><bg>0.0<bg><abc>4.231 4.231 15.464<abc><angles>90.000 90.000 120.000<angles><comp>Ho4 Zn4 Ge4<comp><coord>Ho 0.000 0.000 0.750 Ho 0.000 0.000 0.250 Ho 0.000 0.000 0.000 Ho 0.000 0.000 0.500 Zn 0.667 0.333 0.854 Zn 0.333 0.667 0.146 Zn 0.333 0.667 0.354 Zn 0.667 0.333 0.646 Ge 0.667 0.333 0.389 Ge 0.333 0.667 0.611 Ge 0.333 0.667 0.889 Ge 0.667 0.333 0.111 <coord>
|
<forme>-1.08<forme><bg>0.0<bg><abc>2.932 5.318 5.318<abc><angles>66.900 90.000 90.001<angles><comp>Cu1 Ni3 O4<comp><coord>Cu 0.000 0.500 0.500 Ni 0.000 0.000 1.000 Ni 0.500 1.000 0.500 Ni 0.500 0.500 0.000 O 1.000 0.772 0.772 O 1.000 0.228 0.228 O 0.500 0.737 0.263 O 0.500 0.263 0.737 <coord>
|
<forme>-1.07<forme><bg>0.0<bg><abc>4.934 4.934 4.934<abc><angles>90.000 90.000 90.000<angles><comp>Sm3 Sn1 N1<comp><coord>Sm 0.500 0.000 0.000 Sm 0.000 0.500 0.000 Sm 0.000 0.000 0.500 Sn 0.500 0.500 0.500 N 0.000 0.000 0.000 <coord>
|
<forme>-1.65<forme><bg>1.87<bg><abc>5.037 5.105 6.451<abc><angles>68.709 89.738 118.594<angles><comp>Li2 Cu2 C2 O6<comp><coord>Li 0.756 0.696 0.669 Li 0.244 0.304 0.331 Cu 0.399 0.967 0.772 Cu 0.601 0.033 0.228 C 0.065 0.328 0.740 C 0.935 0.672 0.260 O 0.324 0.571 0.739 O 0.805 0.312 0.786 O 0.070 0.102 0.692 O 0.930 0.898 0.308 O 0.195 0.688 0.214 O 0.676 0.429 0.261 <coord>
|
<forme>0.08<forme><bg>0.0<bg><abc>4.243 4.243 5.529<abc><angles>112.563 112.563 90.000<angles><comp>Ga3 Hg1<comp><coord>Ga 0.750 0.250 0.500 Ga 0.250 0.750 0.500 Ga 0.500 0.500 0.000 Hg 0.000 0.000 0.000 <coord>
|
<forme>-0.22<forme><bg>0.0<bg><abc>3.273 3.273 17.530<abc><angles>90.000 90.000 90.000<angles><comp>Mg4 Cd1 Ag5<comp><coord>Mg 0.500 0.500 0.200 Mg 0.500 0.500 0.400 Mg 0.500 0.500 0.600 Mg 0.500 0.500 0.800 Cd 0.500 0.500 0.000 Ag 0.000 0.000 0.896 Ag 0.000 0.000 0.104 Ag 0.000 0.000 0.300 Ag 0.000 0.000 0.500 Ag 0.000 0.000 0.700 <coord>
|
<forme>-0.56<forme><bg>0.0<bg><abc>4.450 4.450 7.286<abc><angles>90.000 90.000 120.000<angles><comp>Gd2 Zn2 Ga2<comp><coord>Gd 0.000 0.000 0.500 Gd 0.000 0.000 0.000 Zn 0.667 0.333 0.250 Zn 0.333 0.667 0.750 Ga 0.667 0.333 0.750 Ga 0.333 0.667 0.250 <coord>
|
<forme>-2.51<forme><bg>4.64<bg><abc>7.891 7.891 7.891<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Na1 La1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Na 0.500 0.500 0.500 La 0.000 0.000 0.000 Cl 0.249 0.751 0.249 Cl 0.249 0.249 0.751 Cl 0.751 0.249 0.751 Cl 0.249 0.751 0.751 Cl 0.751 0.249 0.249 Cl 0.751 0.751 0.249 <coord>
|
<forme>-2.54<forme><bg>0.0<bg><abc>4.137 4.137 7.135<abc><angles>106.851 106.851 90.000<angles><comp>K2 Cu1 F4<comp><coord>K 0.357 0.357 0.714 K 0.643 0.643 0.286 Cu 0.000 0.000 0.000 F 0.153 0.153 0.307 F 0.000 0.500 0.000 F 0.847 0.847 0.693 F 0.500 1.000 1.000 <coord>
|
<forme>-0.4<forme><bg>0.0<bg><abc>5.233 5.233 8.813<abc><angles>90.000 90.000 120.000<angles><comp>Lu4 Ru8<comp><coord>Lu 0.667 0.333 0.567 Lu 0.333 0.667 0.433 Lu 0.333 0.667 0.067 Lu 0.667 0.333 0.933 Ru 0.828 0.172 0.250 Ru 0.828 0.657 0.250 Ru 0.657 0.828 0.750 Ru 0.172 0.828 0.750 Ru 0.343 0.172 0.250 Ru 0.000 0.000 0.000 Ru 0.172 0.343 0.750 Ru 0.000 0.000 0.500 <coord>
|
<forme>-0.43<forme><bg>0.0<bg><abc>4.647 4.647 4.647<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Cd2 Pt1<comp><coord>Li 0.500 0.500 0.500 Cd 0.250 0.250 0.250 Cd 0.750 0.750 0.750 Pt 0.000 0.000 0.000 <coord>
|
<forme>-0.81<forme><bg>0.0<bg><abc>4.382 4.382 10.823<abc><angles>90.000 90.000 90.000<angles><comp>Nd2 Cd1 Sb4<comp><coord>Nd 0.500 0.000 0.766 Nd 0.000 0.500 0.234 Cd 0.500 0.500 0.500 Sb 0.500 0.000 0.326 Sb 0.000 0.500 0.674 Sb 0.500 0.500 0.000 Sb 0.000 0.000 0.000 <coord>
|
<forme>-0.14<forme><bg>0.0<bg><abc>4.083 4.083 4.937<abc><angles>114.427 114.427 90.000<angles><comp>Hg1 Pd3<comp><coord>Hg 0.000 0.000 0.000 Pd 0.750 0.250 0.500 Pd 0.250 0.750 0.500 Pd 0.500 0.500 0.000 <coord>
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.