text stringlengths 140 560 |
|---|
<forme>-0.4<forme><bg>0.0<bg><abc>3.561 3.561 17.804<abc><angles>90.000 90.000 90.000<angles><comp>Al4 Ni15 Ge1<comp><coord>Al 0.000 0.000 0.200 Al 0.000 0.000 0.400 Al 0.000 0.000 0.600 Al 0.000 0.000 0.800 Ni 0.500 0.500 0.000 Ni 0.500 0.500 0.200 Ni 0.500 0.500 0.400 Ni 0.500 0.500 0.600 Ni 0.500 0.500 0.800 Ni 0.500 0.000 0.100 Ni 0.500 0.000 0.300 Ni 0.500 0.000 0.500 Ni 0.500 0.000 0.700 Ni 0.500 0.000 0.900 Ni 0.000 0.500 0.100 Ni 0.000 0.500 0.300 Ni 0.000 0.500 0.500 Ni 0.000 0.500 0.700 Ni 0.000 0.500 0.900 Ge 0.000 0.000 0.000 <coord> |
<forme>-2.31<forme><bg>0.0<bg><abc>4.016 4.016 16.414<abc><angles>82.973 82.973 60.000<angles><comp>Yb1 Sm4 S5<comp><coord>Yb 0.000 0.000 0.000 Sm 0.599 0.599 0.204 Sm 0.201 0.201 0.396 Sm 0.799 0.799 0.604 Sm 0.401 0.401 0.796 S 0.699 0.699 0.902 S 0.500 0.500 0.500 S 0.100 0.100 0.700 S 0.301 0.301 0.098 S 0.900 0.900 0.300 <coord> |
<forme>-1.03<forme><bg>0.0<bg><abc>3.577 5.971 5.971<abc><angles>120.000 90.000 90.000<angles><comp>Ti3 Fe3 P3<comp><coord>Ti 0.000 0.420 1.000 Ti 0.000 0.580 0.580 Ti 1.000 0.000 0.420 Fe 0.500 0.757 0.000 Fe 0.500 0.243 0.243 Fe 0.500 0.000 0.757 P 0.000 0.000 0.000 P 0.500 0.333 0.667 P 0.500 0.667 0.333 <coord> |
<forme>-0.84<forme><bg>0.0<bg><abc>3.224 9.313 9.313<abc><angles>120.000 90.000 90.000<angles><comp>V12 P7<comp><coord>V 0.000 0.801 0.795 V 0.000 0.868 0.489 V 1.000 0.993 0.199 V 0.000 0.511 0.378 V 0.500 0.735 0.987 V 0.000 0.622 0.132 V 0.000 0.205 0.007 V 0.500 0.374 0.871 V 0.500 0.497 0.626 V 0.500 0.013 0.748 V 0.500 0.129 0.503 V 0.500 0.252 0.265 P 0.500 0.716 0.557 P 0.500 0.841 0.284 P 0.500 0.443 0.159 P 0.000 0.538 0.829 P 0.500 0.000 0.000 P 0.000 0.171 0.709 P 0.000 0.291 0.462 <coord> |
<forme>-1.28<forme><bg>0.0<bg><abc>3.512 6.119 6.501<abc><angles>89.818 90.000 90.000<angles><comp>Ta1 Ti1 Se4<comp><coord>Ta 0.000 0.000 0.000 Ti 0.500 0.500 0.000 Se 0.000 0.663 0.756 Se 0.500 0.169 0.751 Se 0.500 0.831 0.249 Se 0.000 0.337 0.244 <coord> |
<forme>-0.62<forme><bg>0.81<bg><abc>5.801 5.801 5.801<abc><angles>97.663 115.679 115.679<angles><comp>Pb2 S4<comp><coord>Pb 0.000 0.750 0.750 Pb 0.000 0.250 0.250 S 0.261 0.881 0.381 S 0.739 0.119 0.619 S 0.500 0.381 0.119 S 0.500 0.619 0.881 <coord> |
<forme>-0.92<forme><bg>2.14<bg><abc>6.225 6.840 7.878<abc><angles>64.272 90.000 90.000<angles><comp>Cs2 Cd2 Au2 S4<comp><coord>Cs 0.769 0.250 0.500 Cs 0.231 0.750 0.500 Cd 0.500 0.250 0.000 Cd 0.500 0.750 0.000 Au 0.000 0.000 0.000 Au 1.000 0.500 0.000 S 0.290 0.105 0.790 S 0.290 0.395 0.210 S 0.710 0.605 0.790 S 0.710 0.895 0.210 <coord> |
<forme>-2.28<forme><bg>2.47<bg><abc>3.609 5.710 11.535<abc><angles>90.000 90.000 108.425<angles><comp>V4 O10<comp><coord>V 0.295 0.590 0.397 V 0.705 0.410 0.603 V 0.705 0.410 0.897 V 0.295 0.590 0.103 O 0.237 0.473 0.250 O 0.443 0.885 0.385 O 0.751 0.501 0.432 O 0.249 0.499 0.568 O 0.557 0.115 0.615 O 0.763 0.527 0.750 O 0.557 0.115 0.885 O 0.443 0.885 0.115 O 0.249 0.499 0.932 O 0.751 0.501 0.068 <coord> |
<forme>-2.63<forme><bg>0.1<bg><abc>4.887 4.887 9.493<abc><angles>90.000 90.000 92.651<angles><comp>Mn6 O3 F9<comp><coord>Mn 0.958 0.958 1.000 Mn 0.029 0.029 0.667 Mn 0.029 0.029 0.333 Mn 0.492 0.492 0.167 Mn 0.492 0.492 0.833 Mn 0.499 0.499 0.500 O 0.325 0.325 0.666 O 0.325 0.325 0.334 O 0.660 0.660 0.000 F 0.195 0.789 0.832 F 0.212 0.821 0.500 F 0.195 0.789 0.168 F 0.275 0.275 0.000 F 0.708 0.708 0.660 F 0.708 0.708 0.340 F 0.789 0.195 0.832 F 0.821 0.212 0.500 F 0.789 0.195 0.168 <coord> |
<forme>-1.62<forme><bg>3.2<bg><abc>3.773 6.749 7.645<abc><angles>64.439 77.909 75.721<angles><comp>Mo2 H4 O8<comp><coord>Mo 0.270 0.156 0.795 Mo 0.740 0.833 0.202 H 0.504 0.215 0.324 H 0.508 0.775 0.672 H 0.275 0.684 0.878 H 0.762 0.297 0.124 O 0.345 0.254 0.542 O 0.663 0.736 0.454 O 0.235 0.922 0.125 O 0.775 0.066 0.872 O 0.133 0.396 0.837 O 0.879 0.591 0.162 O 0.421 0.800 0.794 O 0.596 0.190 0.202 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>5.157 5.157 8.121<abc><angles>90.003 90.003 119.994<angles><comp>Lu1 Mn6 Ga1 Ge5<comp><coord>Lu 0.000 0.000 0.001 Mn 0.000 0.500 0.751 Mn 0.500 0.500 0.751 Mn 0.500 0.000 0.751 Mn 0.000 0.500 0.249 Mn 0.500 0.500 0.249 Mn 0.500 0.000 0.249 Ga 0.000 0.000 0.344 Ge 0.667 0.333 0.001 Ge 0.333 0.667 0.001 Ge 0.667 0.333 0.498 Ge 0.333 0.667 0.498 Ge 1.000 1.000 0.659 <coord> |
<forme>-0.85<forme><bg>0.0<bg><abc>4.387 4.387 4.387<abc><angles>60.000 60.000 60.000<angles><comp>Ti2 Tc1 Ir1<comp><coord>Ti 0.750 0.750 0.750 Ti 0.250 0.250 0.250 Tc 0.000 0.000 0.000 Ir 0.500 0.500 0.500 <coord> |
<forme>-2.26<forme><bg>4.8<bg><abc>5.005 5.005 8.639<abc><angles>106.841 106.841 90.000<angles><comp>K2 Mg1 Cl4<comp><coord>K 0.643 0.643 0.285 K 0.357 0.357 0.715 Mg 0.000 0.000 0.000 Cl 0.841 0.841 0.681 Cl 0.159 0.159 0.319 Cl 0.500 0.000 0.000 Cl 0.000 0.500 0.000 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>4.580 4.580 7.423<abc><angles>90.000 90.000 120.000<angles><comp>Eu1 Zn2 Sb2<comp><coord>Eu 0.000 0.000 0.000 Zn 0.333 0.667 0.641 Zn 0.667 0.333 0.359 Sb 0.333 0.667 0.263 Sb 0.667 0.333 0.737 <coord> |
<forme>-0.68<forme><bg>0.0<bg><abc>4.269 4.269 8.725<abc><angles>90.000 90.000 120.000<angles><comp>La2 Cu2 I1<comp><coord>La 0.667 0.333 0.788 La 0.667 0.333 0.212 Cu 0.333 0.667 0.000 Cu 0.000 0.000 0.000 I 0.000 0.000 0.500 <coord> |
<forme>-0.41<forme><bg>0.99<bg><abc>5.720 5.720 9.300<abc><angles>72.092 72.092 60.000<angles><comp>K4 Be1 As2<comp><coord>K 0.624 0.624 0.128 K 0.376 0.376 0.872 K 0.209 0.209 0.374 K 0.791 0.791 0.626 Be 0.000 0.000 0.000 As 0.920 0.920 0.240 As 0.080 0.080 0.760 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>4.229 5.126 5.126<abc><angles>120.000 90.000 90.000<angles><comp>Ta1 Ti1 Ni6<comp><coord>Ta 0.500 0.333 0.667 Ti 0.000 0.667 0.333 Ni 0.500 0.327 0.164 Ni 0.500 0.836 0.673 Ni 0.500 0.836 0.164 Ni 0.000 0.676 0.838 Ni 1.000 0.162 0.324 Ni 0.000 0.162 0.838 <coord> |
<forme>-3.26<forme><bg>0.0<bg><abc>3.587 3.587 6.472<abc><angles>73.914 73.914 60.000<angles><comp>Y1 Sc1 O2<comp><coord>Y 0.500 0.500 0.500 Sc 0.000 0.000 0.000 O 0.110 0.110 0.670 O 0.890 0.890 0.330 <coord> |
<forme>-1.31<forme><bg>0.0<bg><abc>4.293 6.118 7.491<abc><angles>114.101 106.649 90.000<angles><comp>Ce3 Sb1 As2<comp><coord>Ce 0.000 0.000 0.000 Ce 0.322 0.322 0.645 Ce 0.678 0.678 0.355 Sb 1.000 0.500 1.000 As 0.338 0.838 0.675 As 0.662 0.162 0.325 <coord> |
<forme>-0.12<forme><bg>0.0<bg><abc>6.292 6.292 6.292<abc><angles>90.000 90.000 90.000<angles><comp>Al4 Cu16<comp><coord>Al 0.436 0.936 0.564 Al 0.936 0.564 0.436 Al 0.564 0.436 0.936 Al 0.064 0.064 0.064 Cu 0.810 0.310 0.190 Cu 0.310 0.190 0.810 Cu 0.190 0.810 0.310 Cu 0.690 0.690 0.690 Cu 0.046 0.877 0.702 Cu 0.298 0.546 0.623 Cu 0.377 0.798 0.954 Cu 0.546 0.623 0.298 Cu 0.798 0.954 0.377 Cu 0.877 0.702 0.046 Cu 0.954 0.377 0.798 Cu 0.702 0.046 0.877 Cu 0.623 0.298 0.546 Cu 0.454 0.123 0.202 Cu 0.202 0.454 0.123 Cu 0.123 0.202 0.454 <coord> |
<forme>-1.75<forme><bg>0.73<bg><abc>2.843 2.843 4.993<abc><angles>73.459 73.459 60.000<angles><comp>Li1 Co1 O2<comp><coord>Li 0.000 0.000 0.000 Co 0.500 0.500 0.500 O 0.760 0.760 0.719 O 0.240 0.240 0.281 <coord> |
<forme>-2.53<forme><bg>2.78<bg><abc>3.535 5.194 7.055<abc><angles>105.130 90.000 109.898<angles><comp>Mg1 V2 O6<comp><coord>Mg 0.000 0.000 0.500 V 0.779 0.557 0.823 V 0.221 0.443 0.177 O 0.287 0.574 0.917 O 0.713 0.426 0.083 O 0.076 0.152 0.260 O 0.633 0.266 0.623 O 0.924 0.848 0.740 O 0.367 0.734 0.377 <coord> |
<forme>-0.09<forme><bg>0.0<bg><abc>4.674 6.418 6.418<abc><angles>81.855 68.645 68.645<angles><comp>Tm1 Ti1 Fe11<comp><coord>Tm 0.994 0.006 0.006 Ti 0.368 0.632 0.632 Fe 0.271 0.229 0.229 Fe 0.724 0.776 0.776 Fe 0.500 0.216 0.783 Fe 0.500 0.783 0.216 Fe 0.499 0.002 0.500 Fe 0.998 0.002 0.500 Fe 0.499 0.500 0.002 Fe 0.998 0.500 0.002 Fe 0.647 0.353 0.353 Fe 0.000 0.644 0.356 Fe 0.000 0.356 0.644 <coord> |
<forme>-0.39<forme><bg>0.0<bg><abc>4.242 6.767 7.378<abc><angles>90.000 90.000 90.000<angles><comp>Hf4 Fe4 Sb4<comp><coord>Hf 0.250 0.504 0.205 Hf 0.750 0.496 0.795 Hf 0.750 0.996 0.705 Hf 0.250 0.004 0.295 Fe 0.250 0.644 0.562 Fe 0.750 0.356 0.438 Fe 0.750 0.856 0.062 Fe 0.250 0.144 0.938 Sb 0.250 0.770 0.891 Sb 0.750 0.230 0.109 Sb 0.750 0.730 0.391 Sb 0.250 0.270 0.609 <coord> |
<forme>-0.62<forme><bg>0.0<bg><abc>3.129 6.049 8.210<abc><angles>90.000 90.000 90.000<angles><comp>Nb4 Ni4 B8<comp><coord>Nb 0.750 0.368 0.633 Nb 0.750 0.868 0.867 Nb 0.250 0.632 0.367 Nb 0.250 0.132 0.133 Ni 0.750 0.501 0.115 Ni 0.750 0.001 0.385 Ni 0.250 0.499 0.885 Ni 0.250 0.999 0.615 B 0.750 0.259 0.923 B 0.750 0.759 0.577 B 0.250 0.741 0.077 B 0.250 0.241 0.423 B 0.750 0.329 0.333 B 0.750 0.829 0.167 B 0.250 0.671 0.667 B 0.250 0.171 0.833 <coord> |
<forme>-0.61<forme><bg>0.0<bg><abc>7.019 7.021 7.034<abc><angles>90.000 89.941 90.000<angles><comp>Mg2 Mn2 Te8<comp><coord>Mg 0.000 0.500 0.500 Mg 0.500 0.000 0.500 Mn 0.500 0.500 0.000 Mn 0.000 0.000 0.000 Te 0.381 0.119 0.110 Te 0.119 0.619 0.890 Te 0.888 0.888 0.379 Te 0.612 0.388 0.621 Te 0.619 0.881 0.890 Te 0.881 0.381 0.110 Te 0.112 0.112 0.621 Te 0.388 0.612 0.379 <coord> |
<forme>-3.61<forme><bg>4.33<bg><abc>4.737 5.404 5.404<abc><angles>74.711 82.230 97.770<angles><comp>Sc2 Si2 O7<comp><coord>Sc 0.000 0.310 0.310 Sc 0.000 0.690 0.690 Si 0.407 0.224 0.776 Si 0.593 0.776 0.224 O 0.788 0.923 0.392 O 0.212 0.392 0.923 O 0.212 0.077 0.608 O 0.788 0.608 0.077 O 0.500 0.000 0.000 O 0.280 0.605 0.395 O 0.720 0.395 0.605 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>4.615 7.387 8.801<abc><angles>114.815 105.199 90.000<angles><comp>Y3 Ag4 Sn4<comp><coord>Y 0.128 0.628 0.256 Y 0.872 0.372 0.744 Y 0.000 0.000 0.000 Ag 0.672 0.369 0.343 Ag 0.328 0.631 0.657 Ag 0.672 0.974 0.343 Ag 0.328 0.026 0.657 Sn 0.786 0.786 0.572 Sn 0.214 0.214 0.428 Sn 0.500 0.304 0.000 Sn 0.500 0.696 0.000 <coord> |
<forme>-0.61<forme><bg>0.24<bg><abc>4.007 4.007 19.893<abc><angles>90.000 90.000 120.000<angles><comp>Tb2 Zn6 P6<comp><coord>Tb 0.000 0.000 0.000 Tb 0.000 0.000 0.500 Zn 0.667 0.333 0.250 Zn 0.333 0.667 0.750 Zn 0.667 0.333 0.871 Zn 0.333 0.667 0.129 Zn 0.333 0.667 0.371 Zn 0.667 0.333 0.629 P 0.667 0.333 0.416 P 0.333 0.667 0.584 P 0.333 0.667 0.916 P 0.667 0.333 0.084 P 0.667 0.333 0.750 P 0.333 0.667 0.250 <coord> |
<forme>-0.45<forme><bg>0.0<bg><abc>4.401 4.401 4.401<abc><angles>60.000 60.000 60.000<angles><comp>Li2 Cd1 Pt1<comp><coord>Li 0.750 0.750 0.750 Li 0.250 0.250 0.250 Cd 0.500 0.500 0.500 Pt 0.000 0.000 0.000 <coord> |
<forme>-2.31<forme><bg>3.66<bg><abc>4.844 4.844 8.326<abc><angles>73.091 73.091 60.005<angles><comp>Li2 Ni2 P2 O8<comp><coord>Li 0.995 0.995 0.015 Li 0.429 0.429 0.712 Ni 0.874 0.874 0.379 Ni 0.551 0.551 0.348 P 0.137 0.137 0.588 P 0.287 0.287 0.138 O 0.074 0.074 0.779 O 0.351 0.351 0.947 O 0.179 0.457 0.520 O 0.581 0.245 0.207 O 0.844 0.179 0.520 O 0.246 0.967 0.207 O 0.967 0.581 0.207 O 0.457 0.844 0.520 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>3.767 3.767 4.936<abc><angles>112.429 112.429 90.000<angles><comp>Al3 V1<comp><coord>Al 0.500 0.500 0.000 Al 0.750 0.250 0.500 Al 0.250 0.750 0.500 V 0.000 0.000 0.000 <coord> |
<forme>-0.2<forme><bg>1.44<bg><abc>3.309 3.309 4.685<abc><angles>90.000 90.000 90.000<angles><comp>B2 As1 P1<comp><coord>B 0.500 0.000 0.764 B 0.000 0.500 0.236 As 0.500 0.500 0.500 P 0.000 0.000 0.000 <coord> |
<forme>-3.06<forme><bg>4.14<bg><abc>4.889 4.889 6.326<abc><angles>112.729 112.729 90.000<angles><comp>Hf2 Ge2 O8<comp><coord>Hf 0.000 0.000 0.000 Hf 0.750 0.250 0.500 Ge 0.500 0.500 0.000 Ge 0.250 0.750 0.500 O 0.343 0.399 0.336 O 0.687 0.593 0.836 O 0.149 0.243 0.836 O 0.993 0.937 0.336 O 0.757 0.313 0.164 O 0.601 0.007 0.664 O 0.063 0.657 0.664 O 0.407 0.851 0.164 <coord> |
<forme>-0.35<forme><bg>0.0<bg><abc>5.227 5.227 8.538<abc><angles>90.000 90.000 119.102<angles><comp>Lu4 Al4 Fe4<comp><coord>Lu 0.333 0.667 0.553 Lu 0.669 0.331 0.426 Lu 0.669 0.331 0.074 Lu 0.333 0.667 0.947 Al 0.994 0.006 0.485 Al 0.994 0.006 0.015 Al 0.341 0.165 0.750 Al 0.835 0.659 0.750 Fe 0.833 0.167 0.750 Fe 0.644 0.820 0.250 Fe 0.180 0.356 0.250 Fe 0.174 0.826 0.250 <coord> |
<forme>-0.47<forme><bg>0.43<bg><abc>8.952 9.219 8.952<abc><angles>119.046 90.000 119.046<angles><comp>Tl8 Sn1 Te6 Pb1<comp><coord>Tl 0.488 0.683 0.987 Tl 0.195 0.683 0.696 Tl 0.987 0.683 0.195 Tl 0.696 0.683 0.488 Tl 0.512 0.317 0.013 Tl 0.805 0.317 0.304 Tl 0.013 0.317 0.805 Tl 0.304 0.317 0.512 Sn 0.000 0.000 0.000 Te 0.838 0.000 0.332 Te 0.162 1.000 0.668 Te 0.332 1.000 0.162 Te 0.668 0.000 0.838 Te 0.247 0.494 0.247 Te 0.753 0.506 0.753 Pb 0.500 0.000 0.500 <coord> |
<forme>-0.76<forme><bg>0.0<bg><abc>6.184 6.413 7.507<abc><angles>90.000 90.000 90.000<angles><comp>Mn2 Cu4 Si2 S8<comp><coord>Mn 0.330 0.155 0.000 Mn 0.830 0.845 0.500 Cu 0.321 0.678 0.748 Cu 0.821 0.322 0.752 Cu 0.321 0.678 0.252 Cu 0.821 0.322 0.248 Si 0.331 0.176 0.500 Si 0.831 0.824 0.000 S 0.982 0.188 0.500 S 0.482 0.812 0.000 S 0.450 0.336 0.267 S 0.950 0.664 0.233 S 0.941 0.143 0.000 S 0.441 0.857 0.500 S 0.450 0.336 0.733 S 0.950 0.664 0.767 <coord> |
<forme>-0.03<forme><bg>0.0<bg><abc>4.852 4.864 4.864<abc><angles>75.595 60.081 60.081<angles><comp>Mn2 Ge4<comp><coord>Mn 0.750 1.000 1.000 Mn 0.250 1.000 0.000 Ge 0.345 0.811 0.500 Ge 0.845 0.500 0.811 Ge 0.155 0.500 0.189 Ge 0.655 0.189 0.500 <coord> |
<forme>-1.8<forme><bg>3.17<bg><abc>7.467 7.467 7.467<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Na1 As1 Cl6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Na 0.500 0.500 0.500 As 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>-0.43<forme><bg>0.0<bg><abc>4.028 4.028 7.488<abc><angles>90.000 90.000 90.000<angles><comp>Eu1 Cu4 P3<comp><coord>Eu 0.000 0.000 0.500 Cu 0.000 0.500 0.825 Cu 0.500 0.000 0.825 Cu 0.000 0.500 0.175 Cu 0.500 0.000 0.175 P 0.000 0.000 0.000 P 0.500 0.500 0.652 P 0.500 0.500 0.348 <coord> |
<forme>-0.52<forme><bg>0.0<bg><abc>4.498 4.498 6.957<abc><angles>108.860 108.860 90.000<angles><comp>Ba1 Sb2 Ru2<comp><coord>Ba 0.000 0.000 0.000 Sb 0.644 0.644 0.288 Sb 0.356 0.356 0.712 Ru 0.750 0.250 0.500 Ru 0.250 0.750 0.500 <coord> |
<forme>-0.54<forme><bg>0.31<bg><abc>3.452 3.452 39.424<abc><angles>90.000 90.000 120.000<angles><comp>Te6 Mo1 W3 S2<comp><coord>Te 0.000 0.000 0.671 Te 0.667 0.333 0.953 Te 0.667 0.333 0.578 Te 0.667 0.333 0.859 Te 0.667 0.333 0.483 Te 0.000 0.000 0.765 Mo 0.000 0.000 0.906 W 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 0.305 S 0.000 0.000 0.380 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>4.954 4.954 8.590<abc><angles>73.239 73.239 60.000<angles><comp>Dy3 Ni9<comp><coord>Dy 0.861 0.861 0.418 Dy 0.139 0.139 0.582 Dy 0.000 0.000 0.000 Ni 0.418 0.918 0.246 Ni 0.418 0.418 0.246 Ni 0.918 0.418 0.246 Ni 0.582 0.082 0.754 Ni 0.582 0.582 0.754 Ni 0.082 0.582 0.754 Ni 0.667 0.667 1.000 Ni 0.333 0.333 0.000 Ni 0.500 0.500 0.500 <coord> |
<forme>-0.03<forme><bg>0.0<bg><abc>2.854 2.854 2.854<abc><angles>90.000 90.000 90.000<angles><comp>Mn1 Co1<comp><coord>Mn 0.000 0.000 0.000 Co 0.500 0.500 0.500 <coord> |
<forme>-0.6<forme><bg>0.0<bg><abc>4.344 4.344 8.315<abc><angles>90.000 90.000 90.000<angles><comp>Eu2 B1 Pd6<comp><coord>Eu 0.000 0.000 0.989 Eu 0.000 0.000 0.511 B 0.500 0.500 0.250 Pd 0.000 0.500 0.250 Pd 0.000 0.500 0.750 Pd 0.500 0.500 0.994 Pd 0.500 0.500 0.506 Pd 0.500 0.000 0.250 Pd 0.500 0.000 0.750 <coord> |
<forme>-2.07<forme><bg>1.77<bg><abc>4.161 4.161 8.408<abc><angles>75.674 75.674 60.000<angles><comp>Cs1 Gd1 S2<comp><coord>Cs 0.000 0.000 0.000 Gd 0.500 0.500 0.500 S 0.773 0.773 0.682 S 0.227 0.227 0.318 <coord> |
<forme>-0.64<forme><bg>0.09<bg><abc>4.415 4.415 7.642<abc><angles>73.212 73.212 60.000<angles><comp>Cd1 Hg1 Se2<comp><coord>Cd 0.500 0.500 0.501 Hg 0.000 0.000 1.000 Se 0.126 0.126 0.623 Se 0.624 0.624 0.127 <coord> |
<forme>-0.94<forme><bg>0.0<bg><abc>5.730 7.891 7.891<abc><angles>114.339 104.007 104.007<angles><comp>Dy6 Pd8<comp><coord>Dy 0.719 0.745 0.123 Dy 0.597 0.877 0.623 Dy 0.974 0.377 0.255 Dy 0.281 0.255 0.877 Dy 0.403 0.123 0.377 Dy 0.026 0.623 0.745 Pd 0.000 0.000 0.000 Pd 0.500 1.000 1.000 Pd 0.449 0.509 0.672 Pd 0.776 0.328 0.837 Pd 0.940 0.163 0.491 Pd 0.551 0.491 0.328 Pd 0.224 0.672 0.163 Pd 0.060 0.837 0.509 <coord> |
<forme>-1.24<forme><bg>4.54<bg><abc>6.217 6.217 6.217<abc><angles>81.195 64.848 114.955<angles><comp>Cs2 C2 N2 O2<comp><coord>Cs 0.249 0.249 0.000 Cs 0.249 0.749 0.500 C 0.749 0.501 0.252 C 0.753 0.001 0.748 N 0.751 0.629 0.378 N 0.007 0.129 0.622 O 0.750 0.371 0.120 O 0.491 0.871 0.880 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.235 5.402 5.402<abc><angles>77.817 66.921 66.921<angles><comp>Yb2 Cu4<comp><coord>Yb 0.457 0.293 0.793 Yb 0.543 0.707 0.207 Cu 0.837 0.718 0.607 Cu 0.163 0.282 0.393 Cu 0.163 0.893 0.782 Cu 0.837 0.107 0.218 <coord> |
<forme>-3.3<forme><bg>0.77<bg><abc>4.041 4.041 7.106<abc><angles>90.000 90.000 90.000<angles><comp>Th2 Se2 O2<comp><coord>Th 0.500 0.000 0.188 Th 0.000 0.500 0.812 Se 0.500 0.000 0.636 Se 0.000 0.500 0.364 O 0.000 0.000 0.000 O 0.500 0.500 0.000 <coord> |
<forme>-0.94<forme><bg>0.0<bg><abc>4.154 4.154 8.051<abc><angles>104.951 104.951 90.000<angles><comp>Y1 Al2 Pd5<comp><coord>Y 0.000 0.000 0.000 Al 0.747 0.747 0.494 Al 0.253 0.253 0.506 Pd 0.500 0.500 0.000 Pd 0.855 0.355 0.711 Pd 0.355 0.855 0.711 Pd 0.145 0.645 0.289 Pd 0.645 0.145 0.289 <coord> |
<forme>-1.1<forme><bg>0.0<bg><abc>3.385 3.385 8.260<abc><angles>90.000 90.000 120.000<angles><comp>Nb1 In1 S2<comp><coord>Nb 0.000 0.000 0.500 In 0.000 0.000 0.000 S 0.667 0.333 0.310 S 0.667 0.333 0.690 <coord> |
<forme>-0.91<forme><bg>0.0<bg><abc>4.992 4.992 4.992<abc><angles>60.000 60.000 60.000<angles><comp>Yb2 Pd1 Au1<comp><coord>Yb 0.750 0.750 0.750 Yb 0.250 0.250 0.250 Pd 0.000 0.000 0.000 Au 0.500 0.500 0.500 <coord> |
<forme>-0.05<forme><bg>0.0<bg><abc>3.947 4.986 4.986<abc><angles>120.000 90.000 90.000<angles><comp>Ho1 Fe5<comp><coord>Ho 0.000 0.000 0.000 Fe 1.000 0.667 0.333 Fe 1.000 0.333 0.667 Fe 0.500 0.500 0.500 Fe 0.500 0.500 0.000 Fe 0.500 0.000 0.500 <coord> |
<forme>-1.42<forme><bg>0.0<bg><abc>3.371 3.371 4.331<abc><angles>90.000 90.000 90.000<angles><comp>Li1 Tl1 O2<comp><coord>Li 0.000 0.000 0.000 Tl 0.500 0.500 0.500 O 0.000 0.000 0.500 O 0.500 0.500 0.000 <coord> |
<forme>-0.97<forme><bg>0.0<bg><abc>5.001 7.150 9.251<abc><angles>105.362 105.682 90.000<angles><comp>Ca8 Mn3 N8<comp><coord>Ca 0.028 0.260 0.056 Ca 0.972 0.740 0.944 Ca 0.333 0.527 0.666 Ca 0.667 0.473 0.334 Ca 0.402 0.042 0.804 Ca 0.598 0.958 0.196 Ca 0.199 0.805 0.398 Ca 0.801 0.195 0.602 Mn 0.500 0.500 0.000 Mn 0.187 0.205 0.373 Mn 0.813 0.795 0.627 N 0.102 0.003 0.204 N 0.898 0.997 0.796 N 0.176 0.439 0.352 N 0.824 0.561 0.648 N 0.281 0.171 0.561 N 0.719 0.829 0.439 N 0.474 0.716 0.947 N 0.526 0.284 0.053 <coord> |
<forme>-0.42<forme><bg>0.0<bg><abc>4.247 4.247 10.959<abc><angles>90.000 90.000 90.000<angles><comp>Lu2 Ga8 Fe1<comp><coord>Lu 0.000 0.000 0.696 Lu 0.000 0.000 0.304 Ga 0.500 0.000 0.884 Ga 0.000 0.500 0.884 Ga 0.500 0.000 0.116 Ga 0.000 0.500 0.116 Ga 0.500 0.000 0.500 Ga 0.000 0.500 0.500 Ga 0.500 0.500 0.696 Ga 0.500 0.500 0.304 Fe 0.000 0.000 0.000 <coord> |
<forme>-0.74<forme><bg>0.0<bg><abc>5.560 5.560 6.164<abc><angles>104.870 104.870 115.531<angles><comp>Sm2 B4 Ir4<comp><coord>Sm 0.500 0.500 0.000 Sm 0.750 0.250 0.500 B 0.179 0.821 0.000 B 0.071 0.929 0.500 B 0.821 0.179 0.000 B 0.429 0.571 0.500 Ir 0.872 0.872 0.743 Ir 0.128 0.128 0.257 Ir 0.378 0.878 0.757 Ir 0.122 0.622 0.243 <coord> |
<forme>-0.38<forme><bg>3.66<bg><abc>5.601 5.601 5.601<abc><angles>91.393 91.393 91.393<angles><comp>Li6 Al2 H12<comp><coord>Li 0.251 0.433 0.939 Li 0.939 0.251 0.433 Li 0.749 0.567 0.061 Li 0.061 0.749 0.567 Li 0.433 0.939 0.251 Li 0.567 0.061 0.749 Al 0.500 0.500 0.500 Al 0.000 0.000 0.000 H 0.911 0.048 0.705 H 0.089 0.952 0.295 H 0.795 0.574 0.430 H 0.430 0.795 0.574 H 0.574 0.430 0.795 H 0.205 0.426 0.570 H 0.570 0.205 0.426 H 0.426 0.570 0.205 H 0.295 0.089 0.952 H 0.048 0.705 0.911 H 0.705 0.911 0.048 H 0.952 0.295 0.089 <coord> |
<forme>-0.77<forme><bg>0.0<bg><abc>3.183 3.318 4.693<abc><angles>110.698 90.000 90.000<angles><comp>Nb2 B2<comp><coord>Nb 0.250 0.145 0.291 Nb 0.750 0.855 0.709 B 0.250 0.442 0.884 B 0.750 0.558 0.116 <coord> |
<forme>-0.63<forme><bg>0.0<bg><abc>4.069 4.323 5.836<abc><angles>68.259 90.000 90.000<angles><comp>Ho2 Ga2<comp><coord>Ho 0.750 0.862 0.276 Ho 0.250 0.138 0.724 Ga 0.750 0.577 0.847 Ga 0.250 0.423 0.153 <coord> |
<forme>-2.75<forme><bg>0.0<bg><abc>6.235 6.235 6.235<abc><angles>60.000 60.000 60.000<angles><comp>Na4 Ti4 O8<comp><coord>Na 0.375 0.875 0.375 Na 0.875 0.375 0.375 Na 0.375 0.375 0.375 Na 0.375 0.375 0.875 Ti 0.875 0.875 0.375 Ti 0.375 0.875 0.875 Ti 0.875 0.875 0.875 Ti 0.875 0.375 0.875 O 0.639 0.639 0.084 O 0.111 0.666 0.111 O 0.639 0.639 0.639 O 0.084 0.639 0.639 O 0.666 0.111 0.111 O 0.111 0.111 0.111 O 0.639 0.084 0.639 O 0.111 0.111 0.666 <coord> |
<forme>-1.31<forme><bg>0.0<bg><abc>3.377 3.377 6.311<abc><angles>90.000 90.000 120.000<angles><comp>Nb1 S2<comp><coord>Nb 0.000 0.000 0.000 S 0.333 0.667 0.246 S 0.667 0.333 0.754 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>6.111 6.111 6.111<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Hg1 Au1<comp><coord>Rb 0.750 0.750 0.750 Rb 0.250 0.250 0.250 Hg 0.000 0.000 0.000 Au 0.500 0.500 0.500 <coord> |
<forme>-0.59<forme><bg>0.0<bg><abc>4.370 4.454 8.405<abc><angles>105.365 90.000 90.000<angles><comp>Dy2 Sn4<comp><coord>Dy 0.250 0.097 0.194 Dy 0.750 0.903 0.806 Sn 0.250 0.434 0.868 Sn 0.750 0.566 0.132 Sn 0.250 0.749 0.497 Sn 0.750 0.251 0.503 <coord> |
<forme>-1.91<forme><bg>3.02<bg><abc>7.541 7.541 7.541<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Li1 Sb1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Li 0.500 0.500 0.500 Sb 0.000 0.000 0.000 Cl 0.251 0.749 0.251 Cl 0.251 0.251 0.749 Cl 0.749 0.251 0.749 Cl 0.251 0.749 0.749 Cl 0.749 0.251 0.251 Cl 0.749 0.749 0.251 <coord> |
<forme>-1.84<forme><bg>0.22<bg><abc>4.044 7.946 11.368<abc><angles>90.000 90.000 90.000<angles><comp>La4 Sn2 S10<comp><coord>La 0.500 0.574 0.169 La 0.500 0.426 0.831 La 0.500 0.074 0.331 La 0.500 0.926 0.669 Sn 0.000 0.500 0.500 Sn 0.000 0.000 0.000 S 0.500 0.690 0.431 S 0.500 0.310 0.569 S 0.500 0.190 0.069 S 0.500 0.810 0.931 S 0.000 0.856 0.203 S 0.000 0.144 0.797 S 0.000 0.500 0.000 S 0.000 0.000 0.500 S 0.000 0.644 0.703 S 0.000 0.356 0.297 <coord> |
<forme>-0.35<forme><bg>0.0<bg><abc>6.393 9.650 9.650<abc><angles>83.701 70.657 70.657<angles><comp>La10 Tl6<comp><coord>La 0.917 0.304 0.861 La 0.083 0.696 0.139 La 0.417 0.861 0.304 La 0.583 0.139 0.696 La 0.221 0.861 0.696 La 0.779 0.139 0.304 La 0.279 0.304 0.139 La 0.721 0.696 0.861 La 0.750 0.500 0.500 La 0.250 0.500 0.500 Tl 0.837 0.827 0.500 Tl 0.163 0.173 0.500 Tl 0.337 0.500 0.827 Tl 0.663 0.500 0.173 Tl 0.750 0.000 0.000 Tl 0.250 0.000 0.000 <coord> |
<forme>-0.78<forme><bg>0.0<bg><abc>4.911 4.911 4.911<abc><angles>60.000 60.000 60.000<angles><comp>Yb1 Th1 Rh2<comp><coord>Yb 0.000 0.000 0.000 Th 0.500 0.500 0.500 Rh 0.750 0.750 0.750 Rh 0.250 0.250 0.250 <coord> |
<forme>-0.43<forme><bg>0.0<bg><abc>5.647 5.647 5.647<abc><angles>60.000 60.000 60.000<angles><comp>Ba1 Hg2 Pb1<comp><coord>Ba 0.500 0.500 0.500 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 Pb 0.000 0.000 0.000 <coord> |
<forme>-2.44<forme><bg>0.03<bg><abc>5.097 5.500 8.862<abc><angles>74.418 89.942 62.400<angles><comp>V4 Cr4 O12<comp><coord>V 0.277 0.448 0.427 V 0.475 0.050 0.827 V 0.974 0.054 0.323 V 0.723 0.552 0.574 Cr 0.773 0.452 0.924 Cr 0.025 0.951 0.677 Cr 0.524 0.952 0.173 Cr 0.227 0.546 0.076 O 0.224 0.250 0.276 O 0.724 0.250 0.777 O 0.179 0.248 0.626 O 0.322 0.748 0.876 O 0.777 0.749 0.026 O 0.276 0.753 0.528 O 0.724 0.245 0.475 O 0.221 0.252 0.974 O 0.675 0.252 0.122 O 0.821 0.752 0.372 O 0.279 0.748 0.224 O 0.779 0.748 0.723 <coord> |
<forme>0.03<forme><bg>0.0<bg><abc>5.174 5.174 8.098<abc><angles>90.000 90.000 108.963<angles><comp>Cs1 Rb1<comp><coord>Cs 0.000 0.000 0.000 Rb 0.500 0.500 0.500 <coord> |
<forme>-0.8<forme><bg>0.0<bg><abc>4.124 4.124 8.846<abc><angles>90.000 90.000 90.000<angles><comp>Np2 Te2 As2<comp><coord>Np 0.000 0.500 0.750 Np 0.500 0.000 0.250 Te 0.500 0.000 0.632 Te 0.000 0.500 0.368 As 0.000 0.000 0.000 As 0.500 0.500 0.000 <coord> |
<forme>-3.4<forme><bg>2.96<bg><abc>5.602 5.707 7.957<abc><angles>90.000 89.943 90.000<angles><comp>La4 Ti2 Zn2 O12<comp><coord>La 0.990 0.955 0.751 La 0.510 0.455 0.749 La 0.010 0.045 0.249 La 0.490 0.545 0.251 Ti 0.000 0.500 0.500 Ti 0.500 0.000 0.000 Zn 0.000 0.500 0.000 Zn 0.500 0.000 0.500 O 0.697 0.717 0.950 O 0.782 0.198 0.954 O 0.910 0.474 0.260 O 0.590 0.974 0.240 O 0.718 0.698 0.546 O 0.803 0.217 0.550 O 0.197 0.783 0.450 O 0.282 0.302 0.454 O 0.303 0.283 0.050 O 0.090 0.526 0.740 O 0.218 0.802 0.046 O 0.410 0.026 0.760 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>5.583 8.308 8.308<abc><angles>83.517 70.366 70.366<angles><comp>Hf10 V1 Sb5<comp><coord>Hf 0.230 0.860 0.708 Hf 0.798 0.140 0.292 Hf 0.270 0.292 0.140 Hf 0.702 0.708 0.860 Hf 0.090 0.708 0.140 Hf 0.938 0.292 0.860 Hf 0.562 0.140 0.708 Hf 0.410 0.860 0.292 Hf 0.750 0.500 0.500 Hf 0.250 0.500 0.500 V 0.250 0.000 0.000 Sb 0.836 0.828 0.500 Sb 0.164 0.172 0.500 Sb 0.664 0.500 0.172 Sb 0.336 0.500 0.828 Sb 0.750 0.000 0.000 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>5.016 5.016 7.388<abc><angles>90.000 90.000 120.000<angles><comp>Sm2 Tl2 Cd2<comp><coord>Sm 0.000 0.000 0.500 Sm 0.000 0.000 0.000 Tl 0.667 0.333 0.250 Tl 0.333 0.667 0.750 Cd 0.667 0.333 0.750 Cd 0.333 0.667 0.250 <coord> |
<forme>-2.05<forme><bg>4.42<bg><abc>5.234 5.234 5.234<abc><angles>60.000 60.000 60.000<angles><comp>Cs1 Br1<comp><coord>Cs 0.000 0.000 0.000 Br 0.500 0.500 0.500 <coord> |
<forme>-0.36<forme><bg>0.0<bg><abc>5.376 5.376 5.376<abc><angles>60.000 60.000 60.000<angles><comp>Li1 La1 Tl2<comp><coord>Li 0.000 0.000 0.000 La 0.500 0.500 0.500 Tl 0.250 0.250 0.250 Tl 0.750 0.750 0.750 <coord> |
<forme>-2.82<forme><bg>2.26<bg><abc>3.970 3.970 3.970<abc><angles>60.000 60.000 60.000<angles><comp>Ba1 O1<comp><coord>Ba 0.000 0.000 0.000 O 0.500 0.500 0.500 <coord> |
<forme>-1.45<forme><bg>3.29<bg><abc>5.145 5.731 5.750<abc><angles>119.890 90.273 89.862<angles><comp>Sr1 Ca1 Al2 Si2 N6<comp><coord>Sr 0.002 0.996 0.317 Ca 0.505 0.003 0.700 Al 0.476 0.351 0.329 Al 0.978 0.652 0.670 Si 0.480 0.645 0.976 Si 0.983 0.352 0.019 N 0.503 0.982 0.227 N 0.011 0.016 0.783 N 0.122 0.443 0.330 N 0.146 0.545 0.900 N 0.620 0.577 0.670 N 0.644 0.438 0.080 <coord> |
<forme>-1.69<forme><bg>2.41<bg><abc>5.266 6.697 9.761<abc><angles>90.000 90.000 90.000<angles><comp>Na8 Sn4 O8<comp><coord>Na 0.007 0.620 0.427 Na 0.009 0.137 0.754 Na 0.491 0.863 0.254 Na 0.493 0.380 0.927 Na 0.507 0.880 0.573 Na 0.509 0.363 0.246 Na 0.991 0.637 0.746 Na 0.993 0.120 0.073 Sn 0.004 0.098 0.428 Sn 0.496 0.902 0.928 Sn 0.504 0.402 0.572 Sn 0.996 0.598 0.072 O 0.018 0.891 0.581 O 0.110 0.339 0.556 O 0.390 0.661 0.056 O 0.482 0.109 0.081 O 0.518 0.609 0.419 O 0.610 0.161 0.444 O 0.890 0.839 0.944 O 0.982 0.391 0.919 <coord> |
<forme>-1.01<forme><bg>0.0<bg><abc>7.743 7.743 7.743<abc><angles>60.000 60.000 60.000<angles><comp>Nb4 Se4 I4<comp><coord>Nb 0.205 0.598 0.598 Nb 0.598 0.598 0.598 Nb 0.598 0.598 0.205 Nb 0.598 0.205 0.598 Se 0.369 0.369 0.369 Se 0.369 0.893 0.369 Se 0.369 0.369 0.893 Se 0.893 0.369 0.369 I 0.383 0.872 0.872 I 0.872 0.872 0.383 I 0.872 0.872 0.872 I 0.872 0.383 0.872 <coord> |
<forme>-2.72<forme><bg>1.01<bg><abc>3.807 3.807 6.784<abc><angles>106.296 106.296 90.000<angles><comp>Sr1 Sm1 Co1 O4<comp><coord>Sr 0.644 0.644 0.288 Sm 0.361 0.361 0.722 Co 0.001 0.001 0.003 O 0.837 0.837 0.675 O 0.176 0.176 0.353 O 0.990 0.490 0.980 O 0.490 0.990 0.980 <coord> |
<forme>-0.47<forme><bg>0.54<bg><abc>4.325 4.325 21.250<abc><angles>90.000 90.000 120.000<angles><comp>Pr2 Cd6 P6<comp><coord>Pr 0.000 0.000 0.500 Pr 0.000 0.000 0.000 Cd 0.667 0.333 0.250 Cd 0.333 0.667 0.750 Cd 0.333 0.667 0.374 Cd 0.667 0.333 0.874 Cd 0.667 0.333 0.626 Cd 0.333 0.667 0.126 P 0.333 0.667 0.250 P 0.667 0.333 0.750 P 0.333 0.667 0.922 P 0.667 0.333 0.422 P 0.667 0.333 0.078 P 0.333 0.667 0.578 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>4.420 4.420 9.628<abc><angles>90.000 90.000 120.000<angles><comp>Sr2 Al3 Ge1<comp><coord>Sr 0.667 0.333 0.748 Sr 0.667 0.333 0.252 Al 0.333 0.667 0.500 Al 0.000 0.000 0.000 Al 0.000 0.000 0.500 Ge 0.333 0.667 1.000 <coord> |
<forme>-2.28<forme><bg>2.9<bg><abc>5.392 5.554 8.190<abc><angles>70.179 90.000 90.000<angles><comp>Si2 Bi4 O10<comp><coord>Si 0.695 0.323 0.000 Si 0.195 0.677 1.000 Bi 0.261 0.385 0.668 Bi 0.761 0.615 0.332 Bi 0.761 0.947 0.668 Bi 0.261 0.053 0.332 O 0.488 0.739 0.502 O 0.988 0.261 0.498 O 0.988 0.759 0.502 O 0.488 0.241 0.498 O 0.671 0.266 0.819 O 0.171 0.734 0.181 O 0.467 0.530 1.000 O 0.967 0.470 0.000 O 0.671 0.085 0.181 O 0.171 0.915 0.819 <coord> |
<forme>-2.85<forme><bg>0.84<bg><abc>3.903 3.903 6.863<abc><angles>106.522 106.522 90.000<angles><comp>Sr1 Nd1 Fe1 O4<comp><coord>Sr 0.645 0.645 0.290 Nd 0.361 0.361 0.722 Fe 0.005 0.005 0.010 O 0.833 0.833 0.667 O 0.173 0.173 0.346 O 0.991 0.491 0.982 O 0.491 0.991 0.982 <coord> |
<forme>-0.4<forme><bg>0.0<bg><abc>5.128 5.128 5.128<abc><angles>60.000 60.000 60.000<angles><comp>Er2 Zn1 Hg1<comp><coord>Er 0.750 0.750 0.750 Er 0.250 0.250 0.250 Zn 0.000 0.000 0.000 Hg 0.500 0.500 0.500 <coord> |
<forme>-0.45<forme><bg>0.0<bg><abc>5.492 5.492 5.492<abc><angles>60.000 60.000 60.000<angles><comp>Gd1 Dy1 In2<comp><coord>Gd 0.000 0.000 0.000 Dy 0.500 0.500 0.500 In 0.750 0.750 0.750 In 0.250 0.250 0.250 <coord> |
<forme>-1.6<forme><bg>0.01<bg><abc>5.352 5.352 5.955<abc><angles>103.362 103.362 113.366<angles><comp>Na3 Cu2 Sb1 O6<comp><coord>Na 0.173 0.827 0.500 Na 0.827 0.173 0.500 Na 0.500 0.500 0.500 Cu 0.667 0.333 1.000 Cu 0.333 0.667 1.000 Sb 0.000 0.000 0.000 O 0.361 0.032 0.226 O 0.254 0.254 0.832 O 0.746 0.746 0.168 O 0.032 0.361 0.226 O 0.639 0.968 0.774 O 0.968 0.639 0.774 <coord> |
<forme>-1.3<forme><bg>3.28<bg><abc>4.843 6.592 6.592<abc><angles>73.994 68.450 68.450<angles><comp>Sr1 Si6 N8<comp><coord>Sr 0.343 0.500 0.500 Si 0.012 0.043 0.636 Si 0.692 0.364 0.957 Si 0.012 0.636 0.043 Si 0.692 0.957 0.364 Si 0.487 0.873 0.873 Si 0.233 0.127 0.127 N 0.785 0.292 0.708 N 0.404 0.985 0.620 N 0.889 0.816 0.816 N 0.009 0.015 0.380 N 0.785 0.708 0.292 N 0.404 0.620 0.985 N 0.009 0.380 0.015 N 0.521 0.184 0.184 <coord> |
<forme>-1.49<forme><bg>1.64<bg><abc>7.725 7.725 7.725<abc><angles>86.349 61.966 117.796<angles><comp>Li4 Mn2 Br8<comp><coord>Li 1.000 1.000 0.500 Li 0.500 1.000 0.000 Li 0.500 0.000 0.500 Li 0.000 0.500 0.500 Mn 0.000 0.500 1.000 Mn 0.500 0.500 0.500 Br 0.489 0.745 0.266 Br 0.011 0.745 0.744 Br 0.006 0.253 0.752 Br 0.494 0.742 0.752 Br 0.511 0.255 0.734 Br 0.989 0.255 0.256 Br 0.994 0.747 0.248 Br 0.506 0.258 0.248 <coord> |
<forme>-1.44<forme><bg>3.03<bg><abc>3.434 9.645 9.645<abc><angles>120.000 90.000 90.000<angles><comp>In2 Cl6<comp><coord>In 0.750 0.333 0.667 In 0.250 0.667 0.333 Cl 0.250 0.218 0.436 Cl 0.250 0.564 0.782 Cl 0.250 0.218 0.782 Cl 0.750 0.782 0.564 Cl 0.750 0.436 0.218 Cl 0.750 0.782 0.218 <coord> |
<forme>-1.65<forme><bg>0.05<bg><abc>7.194 7.194 7.194<abc><angles>60.000 60.000 60.000<angles><comp>K2 In1 Cu1 Cl6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 In 0.000 0.000 0.000 Cu 0.500 0.500 0.500 Cl 0.253 0.747 0.253 Cl 0.253 0.253 0.747 Cl 0.747 0.253 0.747 Cl 0.253 0.747 0.747 Cl 0.747 0.253 0.253 Cl 0.747 0.747 0.253 <coord> |
<forme>-2.63<forme><bg>3.16<bg><abc>7.412 7.412 7.412<abc><angles>60.000 60.000 60.000<angles><comp>Fe4 F12<comp><coord>Fe 0.375 0.875 0.375 Fe 0.375 0.375 0.375 Fe 0.875 0.375 0.375 Fe 0.375 0.375 0.875 F 0.314 0.686 0.314 F 0.686 0.686 0.314 F 0.314 0.686 0.686 F 0.064 0.436 0.436 F 0.436 0.436 0.064 F 0.064 0.436 0.064 F 0.686 0.314 0.314 F 0.436 0.064 0.436 F 0.436 0.064 0.064 F 0.686 0.314 0.686 F 0.064 0.064 0.436 F 0.314 0.314 0.686 <coord> |
<forme>-2.72<forme><bg>3.17<bg><abc>5.957 6.784 7.350<abc><angles>62.518 85.914 81.118<angles><comp>Rb4 Zr2 O6<comp><coord>Rb 0.517 0.385 0.177 Rb 0.522 0.763 0.485 Rb 0.017 0.561 0.823 Rb 0.022 0.248 0.515 Zr 0.537 0.012 0.900 Zr 0.037 0.912 0.100 O 0.773 0.741 0.067 O 0.273 0.808 0.933 O 0.568 0.129 0.600 O 0.781 0.181 0.953 O 0.068 0.729 0.400 O 0.281 0.134 0.047 <coord> |
<forme>-0.7<forme><bg>0.0<bg><abc>3.975 8.329 8.329<abc><angles>120.000 90.000 90.000<angles><comp>Dy6 Fe1 Te2<comp><coord>Dy 0.500 0.397 0.397 Dy 0.500 0.603 1.000 Dy 0.500 1.000 0.603 Dy 0.000 1.000 0.235 Dy 1.000 0.235 0.000 Dy 0.000 0.765 0.765 Fe 0.500 0.000 0.000 Te 0.000 0.667 0.333 Te 1.000 0.333 0.667 <coord> |
<forme>-0.06<forme><bg>0.0<bg><abc>5.263 6.478 6.478<abc><angles>60.000 90.000 90.000<angles><comp>Na2 Cd6<comp><coord>Na 0.250 0.333 0.333 Na 0.750 0.667 0.667 Cd 0.750 0.669 0.165 Cd 0.750 0.165 0.165 Cd 0.750 0.165 0.669 Cd 0.250 0.331 0.835 Cd 0.250 0.835 0.835 Cd 0.250 0.835 0.331 <coord> |
<forme>-1.06<forme><bg>0.0<bg><abc>4.335 4.335 9.020<abc><angles>90.000 90.000 90.000<angles><comp>Pu2 Sb2 Te2<comp><coord>Pu 0.000 0.500 0.721 Pu 0.500 0.000 0.279 Sb 0.000 0.000 0.000 Sb 0.500 0.500 0.000 Te 0.000 0.500 0.362 Te 0.500 0.000 0.638 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.