text stringlengths 140 560 |
|---|
<forme>-0.42<forme><bg>0.0<bg><abc>4.004 4.004 7.116<abc><angles>90.000 90.000 90.000<angles><comp>Tl1 P1 Pd5<comp><coord>Tl 0.500 0.500 0.000 P 0.000 0.000 0.500 Pd 0.000 0.000 0.000 Pd 0.500 0.000 0.697 Pd 0.000 0.500 0.697 Pd 0.500 0.000 0.303 Pd 0.000 0.500 0.303 <coord> |
<forme>-0.68<forme><bg>0.0<bg><abc>3.102 5.518 9.551<abc><angles>89.987 90.000 90.000<angles><comp>Ce2 B4 Ir3 Rh3<comp><coord>Ce 0.000 1.000 1.000 Ce 0.000 0.500 0.500 B 0.000 1.000 0.333 B 0.000 0.500 0.834 B 0.000 0.500 0.167 B 0.000 1.000 0.666 Ir 0.500 0.000 0.500 Ir 0.500 0.500 1.000 Ir 0.500 0.250 0.250 Rh 0.500 0.750 0.750 Rh 0.500 0.750 0.250 Rh 0.500 0.250 0.750 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>4.459 4.459 4.459<abc><angles>60.000 60.000 60.000<angles><comp>Zn1 Ag1 Pd2<comp><coord>Zn 0.000 0.000 0.000 Ag 0.500 0.500 0.500 Pd 0.750 0.750 0.750 Pd 0.250 0.250 0.250 <coord> |
<forme>-2.17<forme><bg>1.02<bg><abc>5.234 5.234 6.130<abc><angles>115.273 115.273 90.000<angles><comp>Li2 Cu2 F8<comp><coord>Li 0.750 0.750 0.500 Li 0.250 0.250 0.500 Cu 0.500 0.000 0.000 Cu 1.000 0.500 0.000 F 0.454 0.954 0.256 F 0.954 0.802 0.256 F 0.198 0.698 0.744 F 0.302 0.454 0.256 F 0.698 0.546 0.744 F 0.802 0.302 0.256 F 0.046 0.198 0.744 F 0.546 0.046 0.744 <coord> |
<forme>-3.83<forme><bg>3.08<bg><abc>4.072 5.842 10.451<abc><angles>90.000 90.000 110.396<angles><comp>Er4 Ti2 O10<comp><coord>Er 0.857 0.715 0.069 Er 0.857 0.715 0.431 Er 0.143 0.285 0.931 Er 0.143 0.285 0.569 Ti 0.827 0.654 0.750 Ti 0.173 0.346 0.250 O 0.948 0.897 0.623 O 0.948 0.897 0.877 O 0.292 0.583 0.090 O 0.292 0.583 0.410 O 0.728 0.457 0.250 O 0.272 0.543 0.750 O 0.708 0.417 0.910 O 0.708 0.417 0.590 O 0.052 0.103 0.377 O 0.052 0.103 0.123 <coord> |
<forme>-0.8<forme><bg>0.0<bg><abc>4.413 4.425 11.769<abc><angles>90.000 100.806 90.000<angles><comp>La2 Ga2 Sb4<comp><coord>La 0.862 0.250 0.725 La 0.138 0.750 0.275 Ga 0.160 1.000 1.000 Ga 0.840 0.500 0.000 Sb 0.590 0.250 0.179 Sb 0.410 0.750 0.821 Sb 0.250 0.250 0.499 Sb 0.750 0.750 0.501 <coord> |
<forme>-0.15<forme><bg>0.0<bg><abc>5.244 5.280 9.302<abc><angles>73.513 87.174 79.997<angles><comp>Al12 W3<comp><coord>Al 0.512 0.855 1.000 Al 0.150 0.497 1.000 Al 0.686 0.264 0.154 Al 0.686 0.417 0.846 Al 0.214 0.068 0.237 Al 0.214 0.305 0.763 Al 0.808 0.695 0.247 Al 0.808 0.942 0.753 Al 0.584 0.079 0.470 Al 0.584 0.549 0.530 Al 0.074 0.727 0.500 Al 0.074 0.227 0.500 W 0.992 0.010 1.000 W 0.331 0.534 0.274 W 0.331 0.808 0.726 <coord> |
<forme>-1.21<forme><bg>1.08<bg><abc>3.890 3.890 6.423<abc><angles>90.000 90.000 120.000<angles><comp>Yb1 Cu2 S2<comp><coord>Yb 0.000 0.000 0.000 Cu 0.333 0.667 0.368 Cu 0.667 0.333 0.632 S 0.333 0.667 0.744 S 0.667 0.333 0.256 <coord> |
<forme>-1.87<forme><bg>4.44<bg><abc>7.071 7.161 10.105<abc><angles>90.000 90.000 90.000<angles><comp>Mg4 Tl4 Cl12<comp><coord>Mg 0.000 0.000 0.000 Mg 0.500 0.500 0.000 Mg 0.000 0.000 0.500 Mg 0.500 0.500 0.500 Tl 0.017 0.449 0.250 Tl 0.983 0.551 0.750 Tl 0.517 0.051 0.750 Tl 0.483 0.949 0.250 Cl 0.282 0.218 0.025 Cl 0.718 0.782 0.975 Cl 0.782 0.282 0.975 Cl 0.718 0.782 0.525 Cl 0.218 0.718 0.025 Cl 0.282 0.218 0.475 Cl 0.218 0.718 0.475 Cl 0.782 0.282 0.525 Cl 0.551 0.501 0.250 Cl 0.449 0.499 0.750 Cl 0.051 0.999 0.750 Cl 0.949 0.001 0.250 <coord> |
<forme>-0.33<forme><bg>0.0<bg><abc>7.810 7.810 7.810<abc><angles>73.361 68.921 110.732<angles><comp>Sc12 In2 Co4<comp><coord>Sc 0.216 0.981 0.235 Sc 0.784 0.019 0.765 Sc 0.784 0.548 0.235 Sc 0.216 0.452 0.765 Sc 0.299 0.687 0.014 Sc 0.701 0.313 0.986 Sc 0.701 0.687 0.612 Sc 0.299 0.313 0.388 Sc 0.475 0.190 0.716 Sc 0.525 0.810 0.284 Sc 0.906 0.190 0.284 Sc 0.094 0.810 0.716 In 0.000 0.500 0.500 In 0.000 0.000 0.000 Co 0.370 0.370 1.000 Co 0.630 0.630 1.000 Co 0.500 0.882 0.618 Co 0.500 0.118 0.382 <coord> |
<forme>-3.43<forme><bg>4.37<bg><abc>6.773 6.773 7.352<abc><angles>117.064 117.064 90.704<angles><comp>Sr5 Ca1 Al2 O8 F2<comp><coord>Sr 0.252 0.252 0.500 Sr 0.752 0.752 0.500 Sr 0.165 0.665 0.000 Sr 0.668 0.831 1.000 Sr 0.331 0.168 0.000 Ca 0.825 0.325 0.000 Al 0.751 0.251 0.500 Al 0.251 0.751 0.500 O 0.210 0.710 0.706 O 0.501 0.001 0.708 O 0.992 0.210 0.706 O 0.710 0.492 0.706 O 0.793 0.293 0.292 O 0.504 0.004 0.294 O 0.004 0.787 0.294 O 0.287 0.504 0.294 F 0.507 0.496 0.000 F 0.996 0.007 0.000 <coord> |
<forme>0.03<forme><bg>0.0<bg><abc>6.318 6.318 10.234<abc><angles>90.000 90.000 120.000<angles><comp>Mg15 Si1<comp><coord>Mg 0.333 0.667 0.500 Mg 0.835 0.165 0.000 Mg 0.833 0.167 0.500 Mg 0.835 0.670 0.000 Mg 0.833 0.666 0.500 Mg 0.330 0.165 1.000 Mg 0.334 0.167 0.500 Mg 0.004 0.502 0.755 Mg 0.004 0.502 0.245 Mg 0.498 0.996 0.755 Mg 0.498 0.996 0.245 Mg 0.498 0.502 0.755 Mg 0.498 0.502 0.245 Mg 0.000 0.000 0.749 Mg 0.000 0.000 0.251 Si 0.333 0.667 1.000 <coord> |
<forme>-0.7<forme><bg>0.0<bg><abc>6.463 8.837 8.840<abc><angles>119.990 90.000 90.000<angles><comp>Tm10 Sn6<comp><coord>Tm 0.500 0.333 0.667 Tm 0.500 0.667 0.333 Tm 0.000 0.667 0.333 Tm 0.000 0.333 0.667 Tm 0.750 0.239 0.000 Tm 0.750 0.761 0.761 Tm 0.750 1.000 0.239 Tm 0.250 0.761 0.000 Tm 0.250 0.239 0.239 Tm 0.250 0.000 0.761 Sn 0.750 0.605 0.000 Sn 0.750 0.395 0.395 Sn 0.750 0.000 0.605 Sn 0.250 0.395 0.000 Sn 0.250 0.605 0.605 Sn 0.250 1.000 0.395 <coord> |
<forme>-0.06<forme><bg>0.0<bg><abc>3.997 5.281 5.281<abc><angles>60.000 90.000 90.000<angles><comp>Sr1 Cu5<comp><coord>Sr 0.000 0.000 0.000 Cu 0.500 0.500 0.500 Cu 0.000 0.333 0.333 Cu 1.000 0.667 0.667 Cu 0.500 0.000 0.500 Cu 0.500 0.500 0.000 <coord> |
<forme>-0.42<forme><bg>4.26<bg><abc>6.250 6.250 6.250<abc><angles>81.652 64.697 115.303<angles><comp>Cs2 N6<comp><coord>Cs 0.000 0.250 0.750 Cs 1.000 0.750 0.250 N 0.500 0.500 0.000 N 0.500 0.374 0.874 N 0.752 0.126 0.374 N 0.248 0.874 0.626 N 0.500 0.626 0.126 N 0.500 0.000 0.500 <coord> |
<forme>-1.91<forme><bg>3.65<bg><abc>7.662 7.662 14.624<abc><angles>90.000 90.000 90.000<angles><comp>Sr4 Ca2 I12<comp><coord>Sr 0.000 0.000 0.334 Sr 0.000 0.000 0.666 Sr 0.500 0.500 0.166 Sr 0.500 0.500 0.834 Ca 0.000 0.000 0.000 Ca 0.500 0.500 0.500 I 0.194 0.806 0.160 I 0.194 0.806 0.840 I 0.205 0.795 0.500 I 0.295 0.295 0.000 I 0.306 0.306 0.340 I 0.306 0.306 0.660 I 0.694 0.694 0.340 I 0.694 0.694 0.660 I 0.705 0.705 0.000 I 0.795 0.205 0.500 I 0.806 0.194 0.160 I 0.806 0.194 0.840 <coord> |
<forme>-0.09<forme><bg>0.0<bg><abc>5.417 5.417 5.417<abc><angles>60.000 60.000 60.000<angles><comp>Pr1 Tm1 Mg2<comp><coord>Pr 0.500 0.500 0.500 Tm 0.000 0.000 0.000 Mg 0.750 0.750 0.750 Mg 0.250 0.250 0.250 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>5.634 7.850 7.850<abc><angles>75.124 68.970 68.970<angles><comp>Ho4 Si10 Ni6<comp><coord>Ho 0.869 0.368 0.895 Ho 0.131 0.632 0.105 Ho 0.631 0.105 0.632 Ho 0.369 0.895 0.368 Si 0.250 0.000 0.000 Si 0.750 0.000 0.000 Si 0.517 0.733 0.733 Si 0.983 0.267 0.267 Si 0.483 0.267 0.267 Si 0.017 0.733 0.733 Si 0.607 0.546 0.240 Si 0.107 0.240 0.546 Si 0.893 0.760 0.454 Si 0.393 0.454 0.760 Ni 0.135 0.978 0.753 Ni 0.750 0.500 0.500 Ni 0.635 0.753 0.978 Ni 0.365 0.247 0.022 Ni 0.865 0.022 0.247 Ni 0.250 0.500 0.500 <coord> |
<forme>-1.26<forme><bg>0.0<bg><abc>3.005 3.005 5.031<abc><angles>72.621 72.621 60.000<angles><comp>Ti1 Cr1 N2<comp><coord>Ti 0.500 0.500 0.500 Cr 0.000 0.000 0.000 N 0.748 0.748 0.756 N 0.252 0.252 0.244 <coord> |
<forme>-0.01<forme><bg>0.0<bg><abc>5.607 5.607 5.607<abc><angles>83.852 83.852 83.852<angles><comp>Sn2 P6<comp><coord>Sn 0.257 0.257 0.257 Sn 0.743 0.743 0.743 P 0.253 0.799 0.799 P 0.799 0.799 0.253 P 0.799 0.253 0.799 P 0.747 0.201 0.201 P 0.201 0.201 0.747 P 0.201 0.747 0.201 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>3.956 5.927 7.138<abc><angles>90.000 90.000 109.494<angles><comp>Ce2 Si2 Os4 C2<comp><coord>Ce 0.448 0.895 0.750 Ce 0.552 0.105 0.250 Si 0.728 0.455 0.750 Si 0.272 0.545 0.250 Os 0.165 0.331 0.943 Os 0.835 0.669 0.057 Os 0.835 0.669 0.443 Os 0.165 0.331 0.557 C 0.000 0.000 0.000 C 0.000 0.000 0.500 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>3.946 4.881 4.881<abc><angles>60.000 90.000 90.000<angles><comp>Gd1 Ni5<comp><coord>Gd 0.000 0.000 0.000 Ni 0.500 0.500 0.500 Ni 0.000 0.333 0.333 Ni 0.000 0.667 0.667 Ni 0.500 0.000 0.500 Ni 0.500 0.500 0.000 <coord> |
<forme>-0.37<forme><bg>0.0<bg><abc>3.738 7.515 7.515<abc><angles>90.000 90.000 90.000<angles><comp>Yb4 In2 Cu4<comp><coord>Yb 0.500 0.677 0.177 Yb 0.500 0.177 0.323 Yb 0.500 0.823 0.677 Yb 0.500 0.323 0.823 In 0.000 0.000 0.000 In 0.000 0.500 0.500 Cu 0.000 0.117 0.617 Cu 1.000 0.617 0.883 Cu 0.000 0.383 0.117 Cu 1.000 0.883 0.383 <coord> |
<forme>-1.71<forme><bg>0.0<bg><abc>5.780 5.780 5.825<abc><angles>60.252 60.252 60.000<angles><comp>Li4 Mg1 Ni3 O8<comp><coord>Li 0.500 0.500 0.000 Li 0.500 1.000 0.000 Li 0.000 0.000 0.000 Li 0.000 0.500 0.000 Mg 0.500 0.500 0.500 Ni 0.000 0.000 0.500 Ni 0.000 0.500 0.500 Ni 0.500 1.000 0.500 O 0.748 0.748 0.282 O 0.252 0.252 0.718 O 0.252 0.778 0.718 O 0.748 0.222 0.282 O 0.753 0.753 0.742 O 0.247 0.247 0.258 O 0.222 0.748 0.282 O 0.778 0.252 0.718 <coord> |
<forme>-0.09<forme><bg>0.0<bg><abc>6.991 6.991 6.991<abc><angles>109.471 109.471 109.471<angles><comp>Pu4 U4 C12<comp><coord>Pu 0.099 0.000 0.000 Pu 0.000 0.500 0.599 Pu 0.500 0.099 0.500 Pu 0.401 0.401 0.901 U 0.000 0.500 0.098 U 0.598 0.000 0.000 U 0.500 0.598 0.500 U 0.902 0.902 0.402 C 0.288 0.750 0.038 C 0.212 0.250 0.462 C 0.037 0.250 0.287 C 0.463 0.750 0.213 C 0.750 0.538 0.788 C 0.250 0.962 0.712 C 0.250 0.787 0.537 C 0.750 0.713 0.963 C 0.538 0.288 0.250 C 0.962 0.212 0.750 C 0.787 0.037 0.750 C 0.713 0.463 0.250 <coord> |
<forme>-0.95<forme><bg>0.0<bg><abc>4.343 4.352 12.916<abc><angles>90.000 99.679 90.000<angles><comp>Lu1 U1 Te6<comp><coord>Lu 0.832 0.000 0.664 U 0.168 0.500 0.335 Te 0.426 1.000 0.851 Te 0.574 0.500 0.149 Te 0.706 0.000 0.411 Te 0.294 0.500 0.588 Te 0.074 1.000 0.149 Te 0.926 0.500 0.852 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>4.511 4.511 4.511<abc><angles>60.000 60.000 60.000<angles><comp>Tm1 Co2 Sn1<comp><coord>Tm 0.000 0.000 0.000 Co 0.250 0.250 0.250 Co 0.750 0.750 0.750 Sn 0.500 0.500 0.500 <coord> |
<forme>-0.62<forme><bg>0.06<bg><abc>5.609 5.639 5.695<abc><angles>70.076 79.627 74.684<angles><comp>Ca2 P6<comp><coord>Ca 0.676 0.643 0.648 Ca 0.324 0.357 0.352 P 0.599 0.800 0.102 P 0.401 0.200 0.898 P 0.005 0.199 0.999 P 0.995 0.801 0.001 P 0.127 0.822 0.606 P 0.873 0.178 0.394 <coord> |
<forme>-3.03<forme><bg>1.0<bg><abc>5.506 5.506 5.506<abc><angles>60.000 60.000 60.000<angles><comp>Mn1 O6 Sr2 Ti1<comp><coord>Mn 0.500 0.500 0.500 O 0.253 0.747 0.253 O 0.747 0.253 0.747 O 0.253 0.253 0.747 O 0.747 0.747 0.253 O 0.747 0.253 0.253 O 0.253 0.747 0.747 Sr 0.250 0.250 0.250 Sr 0.750 0.750 0.750 Ti 0.000 0.000 0.000 <coord> |
<forme>-0.22<forme><bg>0.0<bg><abc>4.629 4.629 4.629<abc><angles>60.000 60.000 60.000<angles><comp>Zr1 Sc1 Tc2<comp><coord>Zr 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Tc 0.750 0.750 0.750 Tc 0.250 0.250 0.250 <coord> |
<forme>0.04<forme><bg>0.0<bg><abc>5.054 5.054 5.054<abc><angles>90.000 90.000 90.000<angles><comp>Sm1 Th3<comp><coord>Sm 0.000 0.000 0.000 Th 0.000 0.500 0.500 Th 0.500 0.000 0.500 Th 0.500 0.500 0.000 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>6.811 10.830 10.830<abc><angles>120.000 90.000 90.000<angles><comp>Eu14 Au6<comp><coord>Eu 0.462 0.333 0.667 Eu 0.962 0.667 0.333 Eu 0.252 0.125 0.875 Eu 0.252 0.749 0.875 Eu 0.252 0.125 0.251 Eu 0.752 0.875 0.125 Eu 0.752 0.251 0.125 Eu 0.752 0.875 0.749 Eu 0.456 0.540 0.460 Eu 0.456 0.920 0.460 Eu 0.456 0.540 0.080 Eu 0.956 0.460 0.540 Eu 0.956 0.080 0.540 Eu 0.956 0.460 0.920 Au 0.191 0.811 0.189 Au 0.191 0.378 0.189 Au 0.191 0.811 0.622 Au 0.691 0.189 0.811 Au 0.691 0.622 0.811 Au 0.691 0.189 0.378 <coord> |
<forme>-0.02<forme><bg>0.0<bg><abc>4.718 4.718 5.704<abc><angles>65.567 65.567 60.000<angles><comp>Mg1 Zn5<comp><coord>Mg 0.500 0.500 0.500 Zn 0.670 0.000 0.000 Zn 0.835 0.835 0.495 Zn 0.330 0.670 0.000 Zn 0.000 0.330 0.000 Zn 0.165 0.165 0.505 <coord> |
<forme>-2.53<forme><bg>4.13<bg><abc>5.517 5.517 5.624<abc><angles>90.000 90.000 120.000<angles><comp>Zr1 P2 H2 O6<comp><coord>Zr 0.000 0.000 0.000 P 0.333 0.667 0.292 P 0.667 0.333 0.708 H 0.333 0.667 0.541 H 0.667 0.333 0.459 O 0.640 0.803 0.213 O 0.197 0.837 0.213 O 0.163 0.360 0.213 O 0.360 0.197 0.787 O 0.803 0.163 0.787 O 0.837 0.640 0.787 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>5.351 5.351 5.351<abc><angles>60.000 60.000 60.000<angles><comp>Na1 Ce1 Hg2<comp><coord>Na 0.000 0.000 0.000 Ce 0.500 0.500 0.500 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 <coord> |
<forme>-1.02<forme><bg>0.0<bg><abc>5.155 5.155 6.198<abc><angles>90.000 90.000 120.000<angles><comp>K1 Cu1 I1 O6<comp><coord>K 0.000 0.000 0.000 Cu 0.667 0.333 0.500 I 0.333 0.667 0.500 O 0.615 0.624 0.324 O 0.010 0.385 0.324 O 0.376 0.990 0.324 O 0.010 0.624 0.676 O 0.376 0.385 0.676 O 0.615 0.990 0.676 <coord> |
<forme>-2.24<forme><bg>2.21<bg><abc>7.132 7.160 7.161<abc><angles>90.000 61.269 90.000<angles><comp>K4 Sr4 O6<comp><coord>K 0.907 0.654 0.873 K 0.407 0.846 0.873 K 0.593 0.154 0.127 K 0.093 0.346 0.127 Sr 0.576 0.377 0.662 Sr 0.924 0.877 0.338 Sr 0.076 0.123 0.662 Sr 0.424 0.623 0.338 O 0.500 0.500 0.000 O 0.000 0.000 0.000 O 0.739 0.078 0.648 O 0.761 0.578 0.352 O 0.239 0.422 0.648 O 0.261 0.922 0.352 <coord> |
<forme>-3.32<forme><bg>0.0<bg><abc>5.653 5.653 5.653<abc><angles>60.000 60.000 60.000<angles><comp>Ca1 Eu1 Ti1 Nb1 O6<comp><coord>Ca 0.750 0.750 0.750 Eu 0.250 0.250 0.250 Ti 0.500 0.500 0.500 Nb 0.000 0.000 0.000 O 0.253 0.747 0.253 O 0.747 0.253 0.747 O 0.747 0.253 0.253 O 0.253 0.747 0.747 O 0.747 0.747 0.253 O 0.253 0.253 0.747 <coord> |
<forme>-2.36<forme><bg>2.32<bg><abc>7.276 7.276 7.276<abc><angles>70.634 70.476 109.524<angles><comp>Ca2 Tb4 S8<comp><coord>Ca 0.500 0.250 0.250 Ca 0.000 0.000 0.000 Tb 0.122 0.497 0.125 Tb 0.622 0.125 0.753 Tb 0.878 0.753 0.625 Tb 0.378 0.625 0.497 S 0.751 0.014 0.381 S 0.105 0.236 0.514 S 0.395 0.381 0.869 S 0.605 0.736 0.014 S 0.251 0.869 0.236 S 0.895 0.381 0.869 S 0.249 0.869 0.736 S 0.749 0.514 0.381 <coord> |
<forme>-1.25<forme><bg>0.73<bg><abc>3.630 6.025 6.329<abc><angles>106.963 96.412 90.838<angles><comp>La2 V2 N6<comp><coord>La 0.551 0.789 0.271 La 0.626 0.333 0.728 V 0.148 0.818 0.753 V 0.077 0.288 0.252 N 0.970 0.947 0.050 N 0.677 0.835 0.887 N 0.066 0.468 0.081 N 0.553 0.222 0.311 N 0.107 0.524 0.565 N 0.111 0.002 0.585 <coord> |
<forme>-0.48<forme><bg>0.17<bg><abc>4.448 4.448 4.448<abc><angles>90.000 90.000 90.000<angles><comp>Fe4 Si4<comp><coord>Fe 0.864 0.636 0.364 Fe 0.636 0.364 0.864 Fe 0.364 0.864 0.636 Fe 0.136 0.136 0.136 Si 0.159 0.341 0.659 Si 0.341 0.659 0.159 Si 0.659 0.159 0.341 Si 0.841 0.841 0.841 <coord> |
<forme>-0.38<forme><bg>0.09<bg><abc>3.223 6.027 6.743<abc><angles>90.000 90.000 90.000<angles><comp>Sb4 Ru2<comp><coord>Sb 0.500 0.683 0.142 Sb 0.500 0.317 0.858 Sb 0.000 0.183 0.358 Sb 0.000 0.817 0.642 Ru 0.500 0.500 0.500 Ru 0.000 0.000 0.000 <coord> |
<forme>-0.92<forme><bg>0.0<bg><abc>4.127 7.501 7.501<abc><angles>120.000 90.000 90.000<angles><comp>Sm3 Mg3 Pt3<comp><coord>Sm 0.000 0.410 0.000 Sm 0.000 0.590 0.590 Sm 1.000 0.000 0.410 Mg 0.500 1.000 0.757 Mg 0.500 0.757 0.000 Mg 0.500 0.243 0.243 Pt 0.000 0.000 0.000 Pt 0.500 0.667 0.333 Pt 0.500 0.333 0.667 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>4.724 4.724 4.724<abc><angles>60.000 60.000 60.000<angles><comp>Sc2 Al1 Cu1<comp><coord>Sc 0.750 0.750 0.750 Sc 0.250 0.250 0.250 Al 0.500 0.500 0.500 Cu 0.000 0.000 0.000 <coord> |
<forme>-3.65<forme><bg>3.4<bg><abc>5.308 7.202 7.202<abc><angles>76.469 70.686 70.686<angles><comp>La2 Ta2 Ti2 O12<comp><coord>La 0.500 0.195 0.805 La 0.000 0.805 0.195 Ta 0.300 0.816 0.653 Ta 0.700 0.347 0.184 Ti 0.201 0.182 0.347 Ti 0.799 0.653 0.818 O 0.719 0.403 0.888 O 0.281 0.112 0.597 O 0.781 0.603 0.111 O 0.219 0.889 0.397 O 0.104 0.184 0.099 O 0.896 0.901 0.816 O 0.398 0.815 0.902 O 0.602 0.098 0.185 O 0.794 0.277 0.440 O 0.206 0.560 0.723 O 0.710 0.721 0.562 O 0.290 0.438 0.279 <coord> |
<forme>-2.0<forme><bg>0.44<bg><abc>3.079 5.091 9.944<abc><angles>103.072 90.000 90.000<angles><comp>Li4 Mn3 Co1 O8<comp><coord>Li 0.000 0.749 0.250 Li 0.500 0.000 0.500 Li 0.000 0.251 0.750 Li 0.500 0.500 0.000 Mn 0.500 0.250 0.248 Mn 0.000 0.500 0.500 Mn 0.500 0.750 0.752 Co 0.000 0.000 0.000 O 0.000 0.148 0.377 O 0.500 0.397 0.628 O 0.000 0.647 0.878 O 0.500 0.899 0.125 O 0.000 0.353 0.122 O 0.500 0.603 0.372 O 0.000 0.852 0.623 O 0.500 0.101 0.875 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>4.430 5.884 5.884<abc><angles>120.000 90.000 90.000<angles><comp>Pu2 Si6<comp><coord>Pu 0.250 0.667 0.333 Pu 0.750 0.333 0.667 Si 0.750 0.856 0.144 Si 0.750 0.289 0.144 Si 0.750 0.856 0.711 Si 0.250 0.144 0.856 Si 0.250 0.711 0.856 Si 0.250 0.144 0.289 <coord> |
<forme>-2.08<forme><bg>0.0<bg><abc>3.780 8.058 13.249<abc><angles>90.000 90.000 90.000<angles><comp>La4 Ti4 S12<comp><coord>La 0.250 0.927 0.170 La 0.750 0.073 0.830 La 0.750 0.573 0.670 La 0.250 0.427 0.330 Ti 0.250 0.651 0.949 Ti 0.750 0.349 0.051 Ti 0.750 0.849 0.449 Ti 0.250 0.151 0.551 S 0.250 0.527 0.112 S 0.750 0.473 0.888 S 0.750 0.973 0.612 S 0.250 0.027 0.388 S 0.250 0.664 0.508 S 0.750 0.336 0.492 S 0.750 0.836 0.008 S 0.250 0.164 0.992 S 0.250 0.793 0.786 S 0.750 0.207 0.214 S 0.750 0.707 0.286 S 0.250 0.293 0.714 <coord> |
<forme>-4.05<forme><bg>2.66<bg><abc>5.244 5.244 6.452<abc><angles>113.976 113.976 90.000<angles><comp>Sc2 Pa2 O8<comp><coord>Sc 0.000 0.000 0.000 Sc 0.750 0.250 0.500 Pa 0.500 0.500 0.000 Pa 0.250 0.750 0.500 O 0.375 0.877 0.250 O 0.875 0.373 0.250 O 0.123 0.625 0.750 O 0.627 0.625 0.750 O 0.875 0.877 0.250 O 0.627 0.125 0.750 O 0.123 0.125 0.750 O 0.375 0.373 0.250 <coord> |
<forme>-2.31<forme><bg>3.43<bg><abc>4.453 8.070 8.070<abc><angles>120.000 90.000 90.000<angles><comp>Pr2 Br6<comp><coord>Pr 0.250 0.333 0.667 Pr 0.750 0.667 0.333 Br 0.250 0.388 0.087 Br 0.750 0.087 0.699 Br 0.750 0.612 0.913 Br 0.250 0.913 0.301 Br 0.250 0.699 0.612 Br 0.750 0.301 0.388 <coord> |
<forme>-0.89<forme><bg>0.0<bg><abc>6.410 6.605 6.748<abc><angles>105.610 105.399 116.127<angles><comp>Cr5 Ni1 S8<comp><coord>Cr 0.236 0.720 0.477 Cr 0.233 0.708 0.977 Cr 0.767 0.292 0.023 Cr 0.764 0.280 0.523 Cr 0.000 0.000 0.500 Ni 0.000 0.000 0.000 S 0.208 0.445 0.156 S 0.215 0.449 0.655 S 0.785 0.551 0.345 S 0.792 0.555 0.844 S 0.706 0.978 0.673 S 0.707 0.976 0.171 S 0.293 0.024 0.829 S 0.294 0.022 0.327 <coord> |
<forme>-0.82<forme><bg>0.0<bg><abc>4.473 4.473 7.291<abc><angles>90.000 90.000 120.000<angles><comp>Ho2 Ge2 Au2<comp><coord>Ho 0.000 0.000 0.539 Ho 0.000 0.000 0.039 Ge 0.667 0.333 0.246 Ge 0.333 0.667 0.746 Au 0.333 0.667 0.331 Au 0.667 0.333 0.831 <coord> |
<forme>-0.7<forme><bg>0.0<bg><abc>3.992 7.465 7.465<abc><angles>120.000 90.000 90.000<angles><comp>Nd3 Zn3 Pd3<comp><coord>Nd 0.000 0.591 0.000 Nd 1.000 0.409 0.409 Nd 0.000 0.000 0.591 Zn 0.500 0.242 0.000 Zn 0.500 0.758 0.758 Zn 0.500 1.000 0.242 Pd 0.000 0.000 0.000 Pd 0.500 0.333 0.667 Pd 0.500 0.667 0.333 <coord> |
<forme>-0.7<forme><bg>0.0<bg><abc>3.146 5.468 5.468<abc><angles>120.000 90.000 90.000<angles><comp>Ho1 B2 Ir3<comp><coord>Ho 0.500 0.000 0.000 B 0.500 0.333 0.667 B 0.500 0.667 0.333 Ir 1.000 0.500 0.500 Ir 0.000 0.500 0.000 Ir 0.000 0.000 0.500 <coord> |
<forme>-0.55<forme><bg>0.0<bg><abc>4.421 7.193 8.473<abc><angles>115.119 105.125 90.000<angles><comp>Sm3 Ag4 Ge4<comp><coord>Sm 0.127 0.627 0.255 Sm 0.873 0.373 0.745 Sm 0.000 0.000 0.000 Ag 0.669 0.974 0.338 Ag 0.331 0.026 0.662 Ag 0.669 0.364 0.338 Ag 0.331 0.636 0.662 Ge 0.783 0.783 0.567 Ge 0.217 0.217 0.433 Ge 0.500 0.682 1.000 Ge 0.500 0.318 1.000 <coord> |
<forme>-2.68<forme><bg>4.4<bg><abc>5.378 6.596 9.014<abc><angles>90.000 90.000 90.000<angles><comp>Ba4 C4 O12<comp><coord>Ba 0.250 0.754 0.584 Ba 0.750 0.246 0.416 Ba 0.250 0.254 0.916 Ba 0.750 0.746 0.084 C 0.250 0.922 0.244 C 0.750 0.078 0.756 C 0.250 0.422 0.256 C 0.750 0.578 0.744 O 0.040 0.421 0.184 O 0.540 0.579 0.816 O 0.460 0.921 0.316 O 0.960 0.079 0.684 O 0.750 0.585 0.600 O 0.250 0.415 0.400 O 0.750 0.085 0.900 O 0.250 0.915 0.100 O 0.960 0.579 0.816 O 0.460 0.421 0.184 O 0.540 0.079 0.684 O 0.040 0.921 0.316 <coord> |
<forme>-0.87<forme><bg>0.0<bg><abc>5.485 5.485 7.961<abc><angles>90.000 90.000 120.000<angles><comp>Ce3 B3 Pt6<comp><coord>Ce 0.500 1.000 0.667 Ce 0.000 0.500 0.333 Ce 0.500 0.500 1.000 B 0.000 0.500 0.833 B 0.500 1.000 0.167 B 0.500 0.500 0.500 Pt 0.696 0.848 0.333 Pt 0.848 0.696 0.667 Pt 0.152 0.848 1.000 Pt 0.152 0.304 0.667 Pt 0.848 0.152 1.000 Pt 0.304 0.152 0.333 <coord> |
<forme>-1.36<forme><bg>1.04<bg><abc>4.949 6.603 6.604<abc><angles>79.671 83.285 83.284<angles><comp>Li2 Co6 O12<comp><coord>Li 0.991 0.334 0.667 Li 0.509 0.833 0.166 Co 0.750 0.083 0.417 Co 0.250 0.583 0.917 Co 0.250 0.250 0.250 Co 0.750 0.750 0.750 Co 0.750 0.417 0.083 Co 0.250 0.916 0.584 O 0.651 0.479 0.812 O 0.118 0.990 0.323 O 0.849 0.688 0.021 O 0.382 0.177 0.510 O 0.394 0.844 0.846 O 0.888 0.343 0.351 O 0.106 0.322 0.987 O 0.612 0.823 0.482 O 0.106 0.654 0.656 O 0.612 0.149 0.157 O 0.394 0.513 0.178 O 0.888 0.018 0.676 <coord> |
<forme>-2.66<forme><bg>4.77<bg><abc>6.087 6.087 8.272<abc><angles>90.000 90.000 120.000<angles><comp>Cs1 Tm1 W2 O8<comp><coord>Cs 0.000 0.000 0.000 Tm 0.000 0.000 0.500 W 0.667 0.333 0.730 W 0.333 0.667 0.270 O 0.831 0.663 0.661 O 0.169 0.337 0.339 O 0.831 0.169 0.661 O 0.169 0.831 0.339 O 0.337 0.169 0.661 O 0.663 0.831 0.339 O 0.667 0.333 0.944 O 0.333 0.667 0.056 <coord> |
<forme>-1.91<forme><bg>1.23<bg><abc>3.643 3.643 6.584<abc><angles>90.000 90.000 120.000<angles><comp>Hf1 S2<comp><coord>Hf 0.000 0.000 0.000 S 0.333 0.667 0.219 S 0.667 0.333 0.781 <coord> |
<forme>-1.01<forme><bg>0.0<bg><abc>7.805 9.566 9.566<abc><angles>120.000 90.000 90.000<angles><comp>Ba10 As6<comp><coord>Ba 0.250 0.000 0.257 Ba 0.750 0.000 0.743 Ba 0.750 0.743 0.000 Ba 0.250 0.743 0.743 Ba 0.250 0.257 0.000 Ba 0.750 0.257 0.257 Ba 0.500 0.667 0.333 Ba 0.000 0.333 0.667 Ba 0.500 0.333 0.667 Ba 1.000 0.667 0.333 As 0.250 0.393 0.393 As 0.750 0.393 0.000 As 0.750 0.000 0.393 As 0.250 0.000 0.607 As 0.250 0.607 0.000 As 0.750 0.607 0.607 <coord> |
<forme>-2.93<forme><bg>5.04<bg><abc>5.454 5.454 5.454<abc><angles>96.188 96.188 96.188<angles><comp>Cs1 Sb1 F6<comp><coord>Cs 0.500 0.500 0.500 Sb 0.000 0.000 0.000 F 0.285 0.919 0.201 F 0.919 0.201 0.285 F 0.799 0.715 0.081 F 0.081 0.799 0.715 F 0.715 0.081 0.799 F 0.201 0.285 0.919 <coord> |
<forme>-2.62<forme><bg>4.31<bg><abc>5.434 5.434 7.016<abc><angles>112.783 112.783 90.000<angles><comp>Na1 La1 W2 O8<comp><coord>Na 0.000 0.000 0.000 La 0.250 0.750 0.500 W 0.750 0.250 0.500 W 0.500 0.500 1.000 O 0.985 0.574 0.666 O 0.681 0.092 0.666 O 0.826 0.444 0.174 O 0.349 0.731 0.174 O 0.269 0.174 0.826 O 0.556 0.651 0.826 O 0.426 0.319 0.334 O 0.908 0.015 0.334 <coord> |
<forme>-2.02<forme><bg>0.29<bg><abc>2.939 5.894 6.808<abc><angles>103.587 102.099 91.980<angles><comp>Li2 Cr2 Co1 O6<comp><coord>Li 0.001 0.528 0.032 Li 0.332 0.139 0.634 Cr 0.012 0.997 0.004 Cr 0.322 0.669 0.662 Co 0.667 0.333 0.333 O 0.543 0.239 0.028 O 0.117 0.557 0.346 O 0.216 0.110 0.321 O 0.854 0.911 0.694 O 0.790 0.427 0.639 O 0.479 0.756 0.973 <coord> |
<forme>-3.98<forme><bg>4.34<bg><abc>4.994 4.994 4.994<abc><angles>97.962 97.962 97.962<angles><comp>Ba1 Ti1 F6<comp><coord>Ba 0.000 0.000 0.000 Ti 0.500 0.500 0.500 F 0.576 0.229 0.229 F 0.229 0.229 0.576 F 0.424 0.771 0.771 F 0.771 0.424 0.771 F 0.771 0.771 0.424 F 0.229 0.576 0.229 <coord> |
<forme>-0.47<forme><bg>6.19<bg><abc>4.703 4.703 7.294<abc><angles>90.000 90.000 120.000<angles><comp>K1 Na1 B2 H8<comp><coord>K 0.000 0.000 0.841 Na 0.667 0.333 0.311 B 0.667 0.333 0.660 B 0.333 0.667 0.151 H 0.667 0.333 0.829 H 0.333 0.667 0.983 H 0.191 0.809 0.208 H 0.524 0.476 0.606 H 0.191 0.382 0.208 H 0.618 0.809 0.208 H 0.952 0.476 0.606 H 0.524 0.048 0.606 <coord> |
<forme>-2.19<forme><bg>0.14<bg><abc>4.902 4.902 4.902<abc><angles>88.288 60.984 119.016<angles><comp>Li1 Cu1 P1 O4<comp><coord>Li 1.000 0.500 0.500 Cu 0.000 0.000 0.000 P 0.500 0.250 0.250 O 0.865 0.302 0.194 O 0.496 0.194 0.941 O 0.504 0.563 0.302 O 0.135 0.941 0.563 <coord> |
<forme>-0.39<forme><bg>0.0<bg><abc>4.018 5.392 5.392<abc><angles>60.952 68.126 68.126<angles><comp>Dy2 Al1 Co2<comp><coord>Dy 0.796 0.704 0.704 Dy 0.204 0.296 0.296 Al 0.000 0.000 0.000 Co 0.500 0.277 0.723 Co 0.500 0.723 0.277 <coord> |
<forme>-0.97<forme><bg>0.0<bg><abc>5.711 7.837 7.837<abc><angles>114.299 104.058 104.058<angles><comp>Er6 Pd8<comp><coord>Er 0.720 0.746 0.124 Er 0.596 0.876 0.622 Er 0.974 0.378 0.254 Er 0.280 0.254 0.876 Er 0.404 0.124 0.378 Er 0.026 0.622 0.746 Pd 0.000 0.000 0.000 Pd 0.500 0.000 0.000 Pd 0.448 0.510 0.674 Pd 0.774 0.326 0.836 Pd 0.938 0.164 0.490 Pd 0.552 0.490 0.326 Pd 0.226 0.674 0.164 Pd 0.062 0.836 0.510 <coord> |
<forme>-2.13<forme><bg>0.0<bg><abc>6.263 6.263 7.471<abc><angles>65.217 65.217 60.000<angles><comp>Zr2 Cl6<comp><coord>Zr 0.333 0.333 0.000 Zr 0.667 0.667 0.000 Cl 0.417 0.077 0.767 Cl 0.923 0.262 0.233 Cl 0.738 0.417 0.767 Cl 0.262 0.583 0.233 Cl 0.077 0.738 0.767 Cl 0.583 0.923 0.233 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>3.907 3.907 6.000<abc><angles>109.002 109.002 90.000<angles><comp>Y1 Mn2 Si1 Ge1<comp><coord>Y 0.998 0.998 0.995 Mn 0.754 0.254 0.508 Mn 0.254 0.754 0.508 Si 0.378 0.378 0.755 Ge 0.617 0.617 0.233 <coord> |
<forme>-0.04<forme><bg>0.0<bg><abc>3.753 3.781 7.043<abc><angles>105.393 105.453 90.000<angles><comp>Mg1 Pm2<comp><coord>Mg 0.500 0.500 1.000 Pm 0.159 0.158 0.318 Pm 0.841 0.842 0.682 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>4.146 4.146 4.146<abc><angles>60.000 60.000 60.000<angles><comp>Mn1 Co1 Te1<comp><coord>Mn 0.000 0.000 0.000 Co 0.750 0.750 0.750 Te 0.500 0.500 0.500 <coord> |
<forme>-2.53<forme><bg>0.0<bg><abc>3.290 3.832 6.595<abc><angles>106.891 104.444 90.000<angles><comp>Ca2 Cu1 O3<comp><coord>Ca 0.649 0.149 0.298 Ca 0.351 0.851 0.702 Cu 0.000 0.500 0.000 O 0.000 0.000 0.000 O 0.161 0.661 0.321 O 0.839 0.339 0.679 <coord> |
<forme>-0.69<forme><bg>0.0<bg><abc>4.557 7.335 7.805<abc><angles>90.000 90.000 90.000<angles><comp>Ca4 Al4 Au4<comp><coord>Ca 0.250 0.014 0.317 Ca 0.250 0.514 0.183 Ca 0.750 0.986 0.683 Ca 0.750 0.486 0.817 Al 0.750 0.845 0.068 Al 0.250 0.155 0.932 Al 0.250 0.655 0.568 Al 0.750 0.345 0.432 Au 0.250 0.792 0.888 Au 0.750 0.208 0.112 Au 0.750 0.708 0.388 Au 0.250 0.292 0.612 <coord> |
<forme>-3.03<forme><bg>1.32<bg><abc>5.435 5.681 7.830<abc><angles>90.000 90.014 90.000<angles><comp>Sm4 V2 Fe2 O12<comp><coord>Sm 0.483 0.563 0.250 Sm 0.017 0.063 0.250 Sm 0.517 0.437 0.750 Sm 0.983 0.937 0.750 V 0.500 0.000 0.500 V 0.000 0.500 0.000 Fe 0.500 0.000 0.000 Fe 0.000 0.500 0.500 O 0.197 0.799 0.053 O 0.303 0.299 0.447 O 0.804 0.201 0.553 O 0.696 0.701 0.947 O 0.803 0.201 0.947 O 0.697 0.701 0.553 O 0.196 0.799 0.447 O 0.304 0.299 0.053 O 0.602 0.967 0.248 O 0.898 0.467 0.252 O 0.398 0.033 0.752 O 0.102 0.533 0.748 <coord> |
<forme>-1.44<forme><bg>0.07<bg><abc>7.801 7.801 7.801<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 As1 Br1 Cl6<comp><coord>Cs 0.750 0.750 0.750 Cs 0.250 0.250 0.250 As 0.000 0.000 0.000 Br 0.500 0.500 0.500 Cl 0.786 0.214 0.786 Cl 0.214 0.786 0.786 Cl 0.786 0.214 0.214 Cl 0.786 0.786 0.214 Cl 0.214 0.214 0.786 Cl 0.214 0.786 0.214 <coord> |
<forme>-0.45<forme><bg>0.0<bg><abc>4.074 6.634 7.572<abc><angles>106.798 105.603 90.000<angles><comp>Mg1 Mn10 N8<comp><coord>Mg 0.500 0.500 0.000 Mn 0.217 0.177 0.435 Mn 0.783 0.823 0.565 Mn 0.042 0.218 0.084 Mn 0.958 0.782 0.916 Mn 0.320 0.579 0.641 Mn 0.680 0.421 0.359 Mn 0.402 0.035 0.804 Mn 0.598 0.965 0.196 Mn 0.150 0.713 0.300 Mn 0.850 0.287 0.700 N 0.099 0.954 0.198 N 0.901 0.046 0.802 N 0.176 0.428 0.352 N 0.824 0.572 0.648 N 0.354 0.292 0.708 N 0.646 0.708 0.292 N 0.452 0.777 0.904 N 0.548 0.223 0.096 <coord> |
<forme>-0.26<forme><bg>0.0<bg><abc>5.031 5.031 7.024<abc><angles>90.000 90.000 119.967<angles><comp>Tm2 Fe8 B2<comp><coord>Tm 0.000 0.000 0.000 Tm 0.000 0.000 0.500 Fe 0.667 0.333 0.000 Fe 0.333 0.667 0.000 Fe 0.500 0.500 0.714 Fe 0.500 0.000 0.714 Fe 0.000 0.500 0.714 Fe 0.500 0.500 0.286 Fe 0.500 0.000 0.286 Fe 0.000 0.500 0.286 B 0.667 0.333 0.500 B 0.333 0.667 0.500 <coord> |
<forme>-3.04<forme><bg>0.0<bg><abc>4.009 4.009 6.924<abc><angles>106.826 106.826 90.000<angles><comp>La2 Cu1 O4<comp><coord>La 0.650 0.650 0.299 La 0.350 0.350 0.701 Cu 0.000 0.000 0.000 O 0.000 0.500 0.000 O 0.500 0.000 0.000 O 0.750 0.250 0.500 O 0.250 0.750 0.500 <coord> |
<forme>-2.08<forme><bg>1.7<bg><abc>2.986 5.416 7.359<abc><angles>70.151 90.003 73.993<angles><comp>Cr2 Li4 O4<comp><coord>Cr 0.000 1.000 0.009 Cr 1.000 0.000 0.491 Li 0.284 0.432 0.642 Li 0.283 0.433 0.142 Li 0.717 0.567 0.358 Li 0.716 0.568 0.858 O 0.644 0.711 0.571 O 0.644 0.712 0.073 O 0.356 0.288 0.427 O 0.356 0.289 0.929 <coord> |
<forme>-0.98<forme><bg>0.0<bg><abc>5.102 5.102 7.341<abc><angles>90.000 90.000 91.277<angles><comp>Ir4 O12<comp><coord>Ir 0.500 0.000 0.500 Ir 0.000 0.500 0.500 Ir 0.500 0.000 0.000 Ir 0.000 0.500 1.000 O 0.329 0.329 0.500 O 0.671 0.671 0.000 O 0.671 0.671 0.500 O 0.329 0.329 0.000 O 0.828 0.172 0.926 O 0.172 0.828 0.074 O 0.172 0.828 0.426 O 0.828 0.172 0.574 O 0.598 0.052 0.250 O 0.948 0.402 0.250 O 0.402 0.948 0.750 O 0.052 0.598 0.750 <coord> |
<forme>-0.56<forme><bg>0.0<bg><abc>6.780 7.416 9.182<abc><angles>95.993 111.664 90.000<angles><comp>La10 Ir4<comp><coord>La 0.201 0.912 0.186 La 0.014 0.588 0.814 La 0.799 0.088 0.814 La 0.986 0.412 0.186 La 0.787 0.817 0.431 La 0.356 0.683 0.569 La 0.213 0.183 0.569 La 0.644 0.317 0.431 La 0.578 0.750 0.000 La 0.422 0.250 0.000 Ir 0.407 0.580 0.223 Ir 0.184 0.920 0.777 Ir 0.593 0.420 0.777 Ir 0.816 0.080 0.223 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>4.131 4.823 11.499<abc><angles>90.000 90.000 90.000<angles><comp>Sr1 Ca3 Ag4<comp><coord>Sr 0.500 0.750 0.356 Ca 0.000 0.750 0.861 Ca 0.000 0.250 0.132 Ca 0.500 0.250 0.645 Ag 0.500 0.750 0.067 Ag 0.000 0.750 0.582 Ag 0.000 0.250 0.432 Ag 0.500 0.250 0.925 <coord> |
<forme>-0.17<forme><bg>0.0<bg><abc>4.744 4.744 4.744<abc><angles>60.000 60.000 60.000<angles><comp>Li2 Mg1 Cd1<comp><coord>Li 0.750 0.750 0.750 Li 0.250 0.250 0.250 Mg 0.000 0.000 0.000 Cd 0.500 0.500 0.500 <coord> |
<forme>-1.35<forme><bg>2.85<bg><abc>8.424 8.585 10.306<abc><angles>90.000 108.159 90.000<angles><comp>Rb4 Cd2 I8<comp><coord>Rb 0.218 0.250 0.551 Rb 0.782 0.750 0.449 Rb 0.261 0.250 0.067 Rb 0.739 0.750 0.933 Cd 0.775 0.250 0.701 Cd 0.225 0.750 0.299 I 0.591 0.250 0.420 I 0.409 0.750 0.580 I 1.000 0.005 0.238 I 0.000 0.995 0.762 I 0.000 0.505 0.762 I 1.000 0.495 0.238 I 0.572 0.250 0.873 I 0.428 0.750 0.127 <coord> |
<forme>-1.64<forme><bg>1.87<bg><abc>5.292 5.642 5.830<abc><angles>61.058 82.256 73.833<angles><comp>Na4 Fe2 O6<comp><coord>Na 0.492 0.410 0.185 Na 0.502 0.753 0.506 Na 0.002 0.259 0.494 Na 0.992 0.595 0.815 Fe 0.517 0.040 0.875 Fe 0.017 0.914 0.125 O 0.769 0.715 0.146 O 0.269 0.861 0.854 O 0.672 0.043 0.580 O 0.746 0.242 0.903 O 0.172 0.623 0.420 O 0.246 0.146 0.097 <coord> |
<forme>-0.62<forme><bg>0.0<bg><abc>9.048 9.048 10.808<abc><angles>114.746 114.746 90.000<angles><comp>Ba10 Sn6<comp><coord>Ba 0.178 0.036 0.714 Ba 0.464 0.322 0.286 Ba 0.000 0.000 0.000 Ba 0.500 0.500 0.000 Ba 0.536 0.678 0.714 Ba 0.036 0.536 0.714 Ba 0.678 0.178 0.714 Ba 0.964 0.464 0.286 Ba 0.322 0.822 0.286 Ba 0.822 0.964 0.286 Sn 0.750 0.750 0.500 Sn 0.250 0.250 0.500 Sn 0.115 0.385 1.000 Sn 0.615 0.115 0.000 Sn 0.385 0.885 0.000 Sn 0.885 0.615 0.000 <coord> |
<forme>-0.24<forme><bg>0.0<bg><abc>4.599 4.599 4.599<abc><angles>60.000 60.000 60.000<angles><comp>Ta2 Nb1 Re1<comp><coord>Ta 0.750 0.750 0.750 Ta 0.250 0.250 0.250 Nb 0.500 0.500 0.500 Re 0.000 0.000 0.000 <coord> |
<forme>-0.74<forme><bg>1.68<bg><abc>5.457 5.457 6.562<abc><angles>114.569 114.569 90.000<angles><comp>Cu2 W1 S4<comp><coord>Cu 0.500 0.000 0.000 Cu 1.000 0.500 1.000 W 0.000 0.000 0.000 S 0.885 0.885 0.245 S 0.360 0.360 0.245 S 0.115 0.640 0.755 S 0.640 0.115 0.755 <coord> |
<forme>-0.85<forme><bg>0.37<bg><abc>8.496 8.496 8.496<abc><angles>109.471 109.471 109.471<angles><comp>Pr6 Cu6 Sb8<comp><coord>Pr 0.875 0.125 0.750 Pr 0.625 0.375 0.250 Pr 0.125 0.250 0.375 Pr 0.375 0.750 0.125 Pr 0.750 0.625 0.875 Pr 0.250 0.875 0.625 Cu 0.375 0.625 0.750 Cu 0.125 0.875 0.250 Cu 0.625 0.250 0.875 Cu 0.875 0.750 0.625 Cu 0.750 0.125 0.375 Cu 0.250 0.375 0.125 Sb 1.000 0.500 0.660 Sb 0.340 0.340 0.840 Sb 0.500 0.160 0.500 Sb 0.160 0.000 0.000 Sb 0.840 0.840 0.340 Sb 1.000 0.500 0.160 Sb 0.500 0.660 0.500 Sb 0.660 0.000 0.000 <coord> |
<forme>-0.82<forme><bg>0.0<bg><abc>6.155 8.274 8.274<abc><angles>119.991 90.000 90.000<angles><comp>Er10 Ir6<comp><coord>Er 0.500 0.667 0.333 Er 0.500 0.333 0.667 Er 0.000 0.333 0.667 Er 0.000 0.667 0.333 Er 0.250 0.738 0.738 Er 0.250 0.262 1.000 Er 0.250 1.000 0.262 Er 0.750 0.262 0.262 Er 0.750 0.738 0.000 Er 0.750 0.000 0.738 Ir 0.250 0.389 0.389 Ir 0.250 0.611 0.000 Ir 0.250 0.000 0.611 Ir 0.750 0.611 0.611 Ir 0.750 0.389 1.000 Ir 0.750 1.000 0.389 <coord> |
<forme>-0.24<forme><bg>0.0<bg><abc>4.984 4.984 5.280<abc><angles>61.838 61.838 60.000<angles><comp>Ce2 Fe3 Rh1<comp><coord>Ce 0.121 0.121 0.636 Ce 0.879 0.879 0.364 Fe 0.000 0.500 0.000 Fe 0.500 0.000 0.000 Fe 0.500 0.500 0.000 Rh 0.500 0.500 0.500 <coord> |
<forme>-2.2<forme><bg>0.0<bg><abc>3.888 3.918 12.628<abc><angles>89.818 90.000 90.000<angles><comp>Ba1 Sr1 Nd1 Tl1 Cu2 O7<comp><coord>Ba 0.500 0.484 0.798 Sr 0.500 0.483 0.207 Nd 0.500 0.497 0.495 Tl 0.000 0.914 0.008 Cu 0.000 0.995 0.632 Cu 0.000 0.996 0.354 O 0.500 0.995 0.617 O 0.000 0.495 0.618 O 0.500 0.996 0.373 O 0.000 0.495 0.371 O 0.000 0.994 0.839 O 0.000 0.006 0.175 O 0.500 0.570 0.012 <coord> |
<forme>-0.25<forme><bg>0.0<bg><abc>3.874 3.874 16.227<abc><angles>83.145 83.145 60.000<angles><comp>Cu9 S5<comp><coord>Cu 0.500 0.500 0.500 Cu 0.052 0.052 0.844 Cu 0.948 0.948 0.156 Cu 0.137 0.137 0.589 Cu 0.863 0.863 0.411 Cu 0.248 0.248 0.256 Cu 0.752 0.752 0.744 Cu 0.352 0.352 0.945 Cu 0.648 0.648 0.055 S 0.000 0.000 0.000 S 0.201 0.201 0.396 S 0.799 0.799 0.604 S 0.400 0.400 0.800 S 0.600 0.600 0.200 <coord> |
<forme>-0.81<forme><bg>0.0<bg><abc>4.019 4.019 5.566<abc><angles>111.163 111.163 90.000<angles><comp>Sm1 Si2 Ni2<comp><coord>Sm 0.000 0.000 0.000 Si 0.629 0.629 0.258 Si 0.371 0.371 0.742 Ni 0.250 0.750 0.500 Ni 0.750 0.250 0.500 <coord> |
<forme>-0.41<forme><bg>2.44<bg><abc>4.253 4.253 4.253<abc><angles>98.464 98.464 98.465<angles><comp>Nd1 Al1 H6<comp><coord>Nd 0.500 0.500 0.500 Al 0.000 0.000 0.000 H 0.062 0.702 0.702 H 0.702 0.702 0.062 H 0.702 0.062 0.702 H 0.938 0.298 0.298 H 0.298 0.298 0.938 H 0.298 0.938 0.298 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>4.767 4.767 4.767<abc><angles>60.000 60.000 60.000<angles><comp>Pm1 In1 Cu2<comp><coord>Pm 0.500 0.500 0.500 In 0.000 0.000 0.000 Cu 0.750 0.750 0.750 Cu 0.250 0.250 0.250 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>2.558 2.558 8.343<abc><angles>90.000 90.000 120.000<angles><comp>Cu4<comp><coord>Cu 0.000 0.000 0.000 Cu 0.667 0.333 0.750 Cu 0.000 0.000 0.500 Cu 0.333 0.667 0.250 <coord> |
<forme>-0.71<forme><bg>0.0<bg><abc>3.122 5.411 5.411<abc><angles>120.000 90.000 90.000<angles><comp>Tm1 B2 Rh3<comp><coord>Tm 0.500 0.000 0.000 B 0.500 0.333 0.667 B 0.500 0.667 0.333 Rh 1.000 0.500 0.500 Rh 0.000 0.500 0.000 Rh 0.000 1.000 0.500 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.