text stringlengths 140 560 |
|---|
<forme>-0.19<forme><bg>0.0<bg><abc>4.313 4.313 9.372<abc><angles>76.697 76.697 60.000<angles><comp>K1 Cu4 Sb2<comp><coord>K 0.000 0.000 0.000 Cu 0.857 0.857 0.428 Cu 0.143 0.143 0.572 Cu 0.548 0.548 0.355 Cu 0.452 0.452 0.645 Sb 0.757 0.757 0.728 Sb 0.243 0.243 0.272 <coord> |
<forme>-2.76<forme><bg>0.41<bg><abc>5.704 5.704 5.704<abc><angles>60.000 60.000 60.000<angles><comp>Sr1 Eu1 V1 W1 O6<comp><coord>Sr 0.750 0.750 0.750 Eu 0.250 0.250 0.250 V 0.000 0.000 0.000 W 0.500 0.500 0.500 O 0.258 0.742 0.258 O 0.742 0.258 0.742 O 0.742 0.258 0.258 O 0.258 0.742 0.742 O 0.742 0.742 0.258 O 0.258 0... |
<forme>-3.53<forme><bg>2.04<bg><abc>3.869 3.869 6.695<abc><angles>90.000 90.000 120.000<angles><comp>Gd2 S1 O2<comp><coord>Gd 0.667 0.333 0.281 Gd 0.333 0.667 0.719 S 0.000 0.000 0.000 O 0.333 0.667 0.370 O 0.667 0.333 0.630 <coord> |
<forme>-0.42<forme><bg>0.0<bg><abc>4.291 4.291 6.621<abc><angles>90.000 90.000 120.000<angles><comp>Y1 Al2 Ge2<comp><coord>Y 0.000 0.000 0.000 Al 0.333 0.667 0.647 Al 0.667 0.333 0.353 Ge 0.333 0.667 0.259 Ge 0.667 0.333 0.741 <coord> |
<forme>0.02<forme><bg>0.0<bg><abc>3.726 3.726 3.726<abc><angles>109.471 109.471 109.471<angles><comp>Yb1<comp><coord>Yb 0.000 0.000 0.000 <coord> |
<forme>-1.59<forme><bg>1.23<bg><abc>4.356 9.070 15.942<abc><angles>90.000 90.000 90.000<angles><comp>Rb12 Cl4 O4<comp><coord>Rb 0.250 0.022 0.595 Rb 0.250 0.173 1.000 Rb 0.750 0.210 0.791 Rb 0.250 0.290 0.291 Rb 0.750 0.327 0.500 Rb 0.750 0.478 0.095 Rb 0.250 0.522 0.905 Rb 0.250 0.673 0.500 Rb 0.750 0.710 0.709 Rb 0.2... |
<forme>-0.38<forme><bg>0.84<bg><abc>7.170 8.067 8.590<abc><angles>61.994 90.000 90.000<angles><comp>Cs4 Bi4 Pd2<comp><coord>Cs 0.250 0.602 0.796 Cs 0.750 0.398 0.204 Cs 0.250 0.195 0.610 Cs 0.750 0.805 0.390 Bi 0.250 0.085 0.201 Bi 0.750 0.285 0.799 Bi 0.750 0.915 0.799 Bi 0.250 0.715 0.201 Pd 0.000 0.000 0.000 Pd 0.50... |
<forme>-3.57<forme><bg>3.51<bg><abc>5.147 5.350 6.614<abc><angles>112.118 111.101 94.119<angles><comp>Dy2 Nb2 O8<comp><coord>Dy 0.622 0.372 0.743 Dy 0.378 0.628 0.257 Nb 0.142 0.892 0.784 Nb 0.858 0.108 0.216 O 0.709 0.050 0.420 O 0.211 0.370 0.420 O 0.291 0.950 0.580 O 0.789 0.630 0.580 O 0.014 0.217 0.934 O 0.421 0.7... |
<forme>-0.02<forme><bg>0.0<bg><abc>5.056 5.818 5.818<abc><angles>120.000 90.000 90.000<angles><comp>Mg5 Bi1<comp><coord>Mg 1.000 0.000 0.347 Mg 0.000 0.347 1.000 Mg 0.000 0.653 0.653 Mg 0.500 0.333 0.667 Mg 0.500 0.667 0.333 Bi 0.500 0.000 0.000 <coord> |
<forme>-0.68<forme><bg>0.0<bg><abc>4.254 8.199 8.199<abc><angles>73.817 74.965 74.965<angles><comp>Dy3 Ga9 Pt2<comp><coord>Dy 0.000 0.000 0.000 Dy 0.308 0.692 0.692 Dy 0.692 0.308 0.308 Ga 0.000 0.500 0.500 Ga 0.342 0.287 0.029 Ga 0.658 0.713 0.971 Ga 0.342 0.029 0.287 Ga 0.658 0.971 0.713 Ga 0.137 0.580 0.146 Ga 0.863... |
<forme>-0.33<forme><bg>0.0<bg><abc>3.180 3.180 4.376<abc><angles>111.304 111.304 90.000<angles><comp>Be3 Ru1<comp><coord>Be 0.750 0.250 0.500 Be 0.250 0.750 0.500 Be 0.500 0.500 0.000 Ru 0.000 0.000 0.000 <coord> |
<forme>-0.64<forme><bg>0.0<bg><abc>6.524 7.205 8.598<abc><angles>96.250 112.295 90.000<angles><comp>Tb10 Ir4<comp><coord>Tb 0.789 0.082 0.817 Tb 0.971 0.418 0.183 Tb 0.211 0.918 0.183 Tb 0.029 0.582 0.817 Tb 0.213 0.182 0.559 Tb 0.654 0.318 0.441 Tb 0.787 0.818 0.441 Tb 0.346 0.682 0.559 Tb 0.429 0.250 0.000 Tb 0.571 0... |
<forme>-1.07<forme><bg>0.88<bg><abc>4.425 4.425 7.281<abc><angles>90.000 90.000 120.000<angles><comp>Ba1 Ag2 S2<comp><coord>Ba 0.000 0.000 0.000 Ag 0.333 0.667 0.625 Ag 0.667 0.333 0.375 S 0.333 0.667 0.256 S 0.667 0.333 0.744 <coord> |
<forme>-2.22<forme><bg>0.06<bg><abc>5.371 5.503 7.670<abc><angles>90.000 91.171 89.995<angles><comp>Ca4 Fe4 O12<comp><coord>Ca 0.511 0.451 0.249 Ca 0.489 0.549 0.751 Ca 0.989 0.951 0.252 Ca 0.011 0.049 0.748 Fe 1.000 0.500 0.000 Fe 0.000 0.500 0.500 Fe 0.500 1.000 0.500 Fe 0.500 0.000 1.000 O 0.425 0.015 0.255 O 0.925 ... |
<forme>-0.37<forme><bg>0.0<bg><abc>4.416 4.416 6.361<abc><angles>110.311 110.311 90.000<angles><comp>Sr1 Al2 Ga2<comp><coord>Sr 0.000 0.000 0.000 Al 0.750 0.250 0.500 Al 0.250 0.750 0.500 Ga 0.383 0.383 0.766 Ga 0.617 0.617 0.234 <coord> |
<forme>-2.32<forme><bg>3.72<bg><abc>4.493 5.595 6.741<abc><angles>90.000 108.147 90.000<angles><comp>Sr2 Se2 O6<comp><coord>Sr 0.654 0.750 0.304 Sr 0.346 0.250 0.696 Se 0.935 0.750 0.842 Se 0.065 0.250 0.158 O 0.173 0.011 0.330 O 0.827 0.511 0.670 O 0.827 0.989 0.670 O 0.173 0.489 0.330 O 0.663 0.250 0.101 O 0.337 0.75... |
<forme>-1.28<forme><bg>0.0<bg><abc>5.299 5.590 6.110<abc><angles>90.000 90.000 115.970<angles><comp>Cu6 O4 F4<comp><coord>Cu 0.500 0.000 0.500 Cu 0.000 0.000 0.000 Cu 0.749 0.462 0.117 Cu 0.751 0.538 0.617 Cu 0.249 0.462 0.383 Cu 0.251 0.538 0.883 O 0.531 0.322 0.374 O 0.969 0.678 0.874 O 0.031 0.322 0.126 O 0.469 0.67... |
<forme>-1.19<forme><bg>0.0<bg><abc>6.959 7.058 7.058<abc><angles>60.622 60.464 60.464<angles><comp>Ti2 Cr2 Cu2 S8<comp><coord>Ti 0.750 0.263 0.737 Ti 0.250 0.237 0.763 Cr 0.756 0.250 0.250 Cr 0.744 0.750 0.750 Cu 0.125 0.625 0.125 Cu 0.375 0.875 0.375 S 0.506 0.484 0.500 S 0.978 0.003 0.511 S 0.511 1.000 0.984 S 0.508 ... |
<forme>0.01<forme><bg>0.0<bg><abc>2.677 2.677 4.448<abc><angles>72.488 72.488 60.000<angles><comp>Ni1 Ir1<comp><coord>Ni 0.500 0.500 0.500 Ir 0.000 0.000 0.000 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>4.196 4.196 6.017<abc><angles>110.408 110.408 90.000<angles><comp>Ca1 Ge2 Ir2<comp><coord>Ca 0.000 0.000 0.000 Ge 0.375 0.375 0.751 Ge 0.625 0.625 0.249 Ir 0.250 0.750 0.500 Ir 0.750 0.250 0.500 <coord> |
<forme>-1.19<forme><bg>1.08<bg><abc>5.916 7.434 7.434<abc><angles>80.892 66.555 66.555<angles><comp>Rb4 Cu4 O4<comp><coord>Rb 0.554 0.194 0.194 Rb 0.941 0.806 0.806 Rb 0.252 0.806 0.194 Rb 0.252 0.194 0.806 Cu 0.885 0.500 0.229 Cu 0.615 0.500 0.771 Cu 0.615 0.771 0.500 Cu 0.885 0.229 0.500 O 0.489 0.770 0.770 O 0.029 0... |
<forme>-3.05<forme><bg>3.82<bg><abc>3.240 5.221 9.802<abc><angles>82.832 89.828 89.878<angles><comp>Li4 Mn2 F8<comp><coord>Li 0.040 0.262 0.074 Li 0.039 0.231 0.423 Li 0.962 0.731 0.922 Li 0.961 0.758 0.572 Mn 0.472 0.245 0.748 Mn 0.528 0.747 0.248 F 0.540 0.107 0.137 F 0.972 0.115 0.621 F 0.539 0.402 0.376 F 0.030 0.6... |
<forme>-0.28<forme><bg>0.0<bg><abc>5.071 5.071 5.071<abc><angles>60.000 60.000 60.000<angles><comp>Tm1 Mg1 Cd2<comp><coord>Tm 0.000 0.000 0.000 Mg 0.500 0.500 0.500 Cd 0.250 0.250 0.250 Cd 0.750 0.750 0.750 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>6.588 9.614 9.614<abc><angles>119.904 90.000 90.000<angles><comp>Ce10 Cu2 Pb6<comp><coord>Ce 0.750 0.737 0.737 Ce 0.750 0.263 0.000 Ce 0.750 0.000 0.263 Ce 0.250 0.263 0.263 Ce 0.250 0.737 1.000 Ce 0.250 1.000 0.737 Ce 0.000 0.667 0.333 Ce 0.000 0.333 0.667 Ce 0.500 0.333 0.667 Ce 0.5... |
<forme>-1.07<forme><bg>0.0<bg><abc>4.371 4.393 12.975<abc><angles>90.000 99.696 90.000<angles><comp>Sm1 U1 Te6<comp><coord>Sm 0.832 1.000 0.664 U 0.165 0.500 0.331 Te 0.429 1.000 0.859 Te 0.575 0.500 0.150 Te 0.702 1.000 0.404 Te 0.292 0.500 0.584 Te 0.075 1.000 0.150 Te 0.930 0.500 0.859 <coord> |
<forme>-1.86<forme><bg>0.0<bg><abc>4.053 4.053 5.176<abc><angles>113.047 113.047 90.000<angles><comp>Li2 Mn1 Ni1 O4<comp><coord>Li 0.250 0.750 0.500 Li 0.500 0.500 0.000 Mn 0.750 0.250 0.500 Ni 0.000 0.000 0.000 O 0.526 0.026 0.052 O 0.239 0.239 0.479 O 0.974 0.474 0.948 O 0.761 0.761 0.521 <coord> |
<forme>-2.68<forme><bg>3.63<bg><abc>5.185 5.583 10.107<abc><angles>98.823 90.000 90.000<angles><comp>Li2 Fe4 F14<comp><coord>Li 0.943 0.500 0.750 Li 0.057 0.500 0.250 Fe 0.250 0.076 0.930 Fe 0.750 0.076 0.430 Fe 0.250 0.924 0.570 Fe 0.750 0.924 0.070 F 0.403 0.000 0.750 F 0.597 0.000 0.250 F 0.939 0.139 0.608 F 0.061 0... |
<forme>-0.18<forme><bg>0.0<bg><abc>3.594 3.594 7.233<abc><angles>90.000 90.000 90.000<angles><comp>Al1 Ni6 Pd1<comp><coord>Al 0.000 0.000 0.000 Ni 0.500 0.500 0.000 Ni 0.500 0.500 0.500 Ni 0.500 0.000 0.240 Ni 0.500 0.000 0.760 Ni 0.000 0.500 0.240 Ni 0.000 0.500 0.760 Pd 0.000 0.000 0.500 <coord> |
<forme>-3.11<forme><bg>5.62<bg><abc>5.055 5.055 11.162<abc><angles>90.000 90.000 120.000<angles><comp>Al3 P3 O12<comp><coord>Al 0.527 0.527 0.667 Al 0.000 0.473 0.333 Al 0.473 0.000 1.000 P 0.526 0.526 0.167 P 0.000 0.474 0.833 P 0.474 0.000 0.500 O 0.753 0.171 0.888 O 0.418 0.247 0.555 O 0.829 0.582 0.222 O 0.171 0.75... |
<forme>-2.82<forme><bg>0.62<bg><abc>5.366 5.396 6.824<abc><angles>90.000 113.150 90.000<angles><comp>Sr1 Nd3 Ni2 O8<comp><coord>Sr 0.857 0.500 0.714 Nd 0.363 0.000 0.726 Nd 0.639 0.000 0.278 Nd 0.137 0.500 0.274 Ni 0.497 0.500 0.995 Ni 0.997 0.000 0.993 O 0.179 0.000 0.359 O 0.664 0.500 0.329 O 0.324 0.500 0.648 O 0.82... |
<forme>-0.69<forme><bg>0.01<bg><abc>4.613 4.613 12.833<abc><angles>100.355 100.355 90.000<angles><comp>Ba2 Cd2 Sb4<comp><coord>Ba 0.888 0.888 0.776 Ba 0.112 0.112 0.224 Cd 0.250 0.750 0.500 Cd 0.750 0.250 0.500 Sb 0.674 0.674 0.349 Sb 0.326 0.326 0.651 Sb 0.000 0.500 0.000 Sb 0.500 0.000 0.000 <coord> |
<forme>-0.97<forme><bg>0.0<bg><abc>3.614 7.199 7.199<abc><angles>120.000 90.000 90.000<angles><comp>Zr3 Ga3 Pt3<comp><coord>Zr 0.500 0.603 0.000 Zr 0.500 0.397 0.397 Zr 0.500 0.000 0.603 Ga 0.000 0.264 0.000 Ga 1.000 0.736 0.736 Ga 0.000 0.000 0.264 Pt 0.000 0.333 0.667 Pt 0.000 0.667 0.333 Pt 0.500 0.000 0.000 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>4.639 4.639 4.639<abc><angles>89.314 89.314 89.314<angles><comp>Ga1 Co4 Ge3<comp><coord>Ga 0.659 0.659 0.659 Co 0.359 0.359 0.359 Co 0.636 0.868 0.139 Co 0.139 0.636 0.868 Co 0.868 0.139 0.636 Ge 0.343 0.160 0.836 Ge 0.836 0.343 0.160 Ge 0.160 0.836 0.343 <coord> |
<forme>-0.95<forme><bg>0.4<bg><abc>5.486 5.675 5.860<abc><angles>118.325 90.000 90.000<angles><comp>Tl2 Cu2 O4<comp><coord>Tl 0.250 0.305 0.141 Tl 0.750 0.695 0.859 Cu 0.750 0.012 0.505 Cu 0.250 0.988 0.495 O 1.000 0.000 0.713 O 0.000 1.000 0.287 O 0.500 1.000 0.287 O 0.500 0.000 0.713 <coord> |
<forme>-1.04<forme><bg>0.85<bg><abc>4.244 4.244 6.864<abc><angles>90.000 90.000 120.000<angles><comp>Mg2 Te2<comp><coord>Mg 0.000 0.000 0.500 Mg 0.000 0.000 0.000 Te 0.667 0.333 0.750 Te 0.333 0.667 0.250 <coord> |
<forme>-0.27<forme><bg>0.0<bg><abc>5.821 5.821 5.821<abc><angles>60.000 60.000 60.000<angles><comp>Ba1 Na1 Tl2<comp><coord>Ba 0.500 0.500 0.500 Na 0.000 0.000 0.000 Tl 0.250 0.250 0.250 Tl 0.750 0.750 0.750 <coord> |
<forme>-0.19<forme><bg>0.0<bg><abc>4.743 4.743 8.206<abc><angles>73.202 73.202 60.000<angles><comp>Nb3 Al1 Co8<comp><coord>Nb 0.623 0.623 0.131 Nb 0.003 0.003 0.990 Nb 0.498 0.498 0.507 Al 0.126 0.126 0.622 Co 0.060 0.564 0.812 Co 0.561 0.064 0.312 Co 0.564 0.060 0.812 Co 0.064 0.561 0.312 Co 0.812 0.812 0.565 Co 0.312... |
<forme>-3.0<forme><bg>1.7<bg><abc>4.632 4.899 4.906<abc><angles>61.278 89.333 89.054<angles><comp>F5 O1 V2<comp><coord>F 0.249 0.998 0.354 F 0.251 0.645 0.995 F 0.245 0.374 0.637 F 0.758 0.635 0.360 F 0.757 0.350 0.001 O 0.757 0.983 0.641 V 0.980 0.693 0.675 V 0.502 0.324 0.343 <coord> |
<forme>-0.14<forme><bg>0.0<bg><abc>4.768 4.768 4.768<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Lu2 Co1<comp><coord>Li 0.000 0.000 0.000 Lu 0.750 0.750 0.750 Lu 0.250 0.250 0.250 Co 0.500 0.500 0.500 <coord> |
<forme>-0.23<forme><bg>0.0<bg><abc>4.563 4.563 4.563<abc><angles>60.000 60.000 60.000<angles><comp>Ta2 Ti1 Re1<comp><coord>Ta 0.750 0.750 0.750 Ta 0.250 0.250 0.250 Ti 0.000 0.000 0.000 Re 0.500 0.500 0.500 <coord> |
<forme>-2.25<forme><bg>0.12<bg><abc>4.472 5.514 6.579<abc><angles>90.000 107.115 90.000<angles><comp>Eu2 Se2 O6<comp><coord>Eu 0.658 0.250 0.301 Eu 0.342 0.750 0.699 Se 0.929 0.250 0.846 Se 0.071 0.750 0.154 O 0.668 0.750 0.108 O 0.817 0.491 0.667 O 0.817 0.009 0.667 O 0.183 0.991 0.333 O 0.183 0.509 0.333 O 0.332 0.25... |
<forme>-1.39<forme><bg>0.37<bg><abc>4.045 4.045 6.933<abc><angles>73.042 73.042 60.000<angles><comp>Ca1 Mn1 Se2<comp><coord>Ca 0.000 0.000 0.000 Mn 0.500 0.500 0.500 Se 0.242 0.242 0.274 Se 0.758 0.758 0.726 <coord> |
<forme>-1.44<forme><bg>0.56<bg><abc>3.712 6.812 9.808<abc><angles>90.000 90.000 105.809<angles><comp>Na2 Zr2 Cu2 S6<comp><coord>Na 0.751 0.502 0.250 Na 0.249 0.498 0.750 Zr 0.000 0.000 0.500 Zr 0.000 0.000 0.000 Cu 0.470 0.941 0.250 Cu 0.530 0.059 0.750 S 0.922 0.844 0.750 S 0.369 0.739 0.060 S 0.078 0.156 0.250 S 0.36... |
<forme>-0.08<forme><bg>0.0<bg><abc>5.786 5.786 13.852<abc><angles>96.091 96.091 119.468<angles><comp>Rh8 Pb10<comp><coord>Rh 0.916 0.916 0.832 Rh 0.084 0.084 0.168 Rh 0.750 0.250 0.500 Rh 0.918 0.418 0.836 Rh 0.082 0.582 0.164 Rh 0.418 0.918 0.836 Rh 0.582 0.082 0.164 Rh 0.250 0.750 0.500 Pb 0.164 0.836 0.000 Pb 0.333 ... |
<forme>-2.7<forme><bg>1.1<bg><abc>5.244 5.370 7.470<abc><angles>90.000 90.000 90.000<angles><comp>Yb4 Mn4 O12<comp><coord>Yb 0.013 0.945 0.750 Yb 0.513 0.555 0.250 Yb 0.487 0.445 0.750 Yb 0.987 0.055 0.250 Mn 0.500 0.000 0.500 Mn 0.000 0.500 0.500 Mn 0.000 0.500 0.000 Mn 0.500 0.000 0.000 O 0.703 0.295 0.457 O 0.203 0.... |
<forme>-1.71<forme><bg>2.44<bg><abc>5.405 5.405 8.146<abc><angles>70.624 70.624 60.000<angles><comp>Tl2 Sb2 O6<comp><coord>Tl 0.618 0.618 0.147 Tl 0.382 0.382 0.853 Sb 0.833 0.833 0.501 Sb 0.167 0.167 0.499 O 0.833 0.449 0.650 O 0.068 0.833 0.650 O 0.449 0.068 0.650 O 0.167 0.551 0.350 O 0.932 0.167 0.350 O 0.551 0.932... |
<forme>-0.29<forme><bg>0.0<bg><abc>3.570 3.570 7.142<abc><angles>90.000 90.000 90.000<angles><comp>Ga1 Ni6 Ge1<comp><coord>Ga 0.000 0.000 0.000 Ni 0.500 0.500 0.000 Ni 0.500 0.500 0.500 Ni 0.500 0.000 0.251 Ni 0.500 0.000 0.749 Ni 0.000 0.500 0.251 Ni 0.000 0.500 0.749 Ge 0.000 0.000 0.500 <coord> |
<forme>-3.54<forme><bg>2.25<bg><abc>5.417 5.481 5.417<abc><angles>60.384 90.000 119.616<angles><comp>Ca2 Ti2 O6<comp><coord>Ca 0.250 0.500 0.250 Ca 0.750 0.500 0.750 Ti 0.500 0.000 0.500 Ti 0.000 0.000 0.000 O 0.809 0.000 0.309 O 0.309 0.000 0.191 O 0.691 0.000 0.809 O 0.191 0.000 0.691 O 0.750 0.500 0.250 O 0.250 0.50... |
<forme>0.01<forme><bg>0.0<bg><abc>3.897 3.897 6.451<abc><angles>90.000 90.000 120.000<angles><comp>Ca2<comp><coord>Ca 0.667 0.333 0.750 Ca 0.333 0.667 0.250 <coord> |
<forme>-2.04<forme><bg>0.0<bg><abc>3.984 3.984 11.739<abc><angles>90.000 90.000 90.000<angles><comp>Ba2 La1 Cu3 O8<comp><coord>Ba 0.500 0.500 0.167 Ba 0.500 0.500 0.833 La 0.500 0.500 0.500 Cu 0.000 0.000 0.000 Cu 0.000 0.000 0.338 Cu 0.000 0.000 0.662 O 0.500 0.000 0.000 O 0.000 0.500 0.000 O 0.000 0.000 0.169 O 0.000... |
<forme>-0.34<forme><bg>0.0<bg><abc>4.706 4.706 4.706<abc><angles>60.000 60.000 60.000<angles><comp>Tm2 Co1 Ru1<comp><coord>Tm 0.250 0.250 0.250 Tm 0.750 0.750 0.750 Co 0.500 0.500 0.500 Ru 0.000 0.000 0.000 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>4.241 6.753 7.346<abc><angles>90.000 90.000 90.000<angles><comp>Er4 Ga4 Ni4<comp><coord>Er 0.250 0.984 0.305 Er 0.250 0.484 0.195 Er 0.750 0.016 0.695 Er 0.750 0.516 0.805 Ga 0.250 0.324 0.573 Ga 0.250 0.824 0.927 Ga 0.750 0.676 0.427 Ga 0.750 0.176 0.073 Ni 0.250 0.212 0.898 Ni 0.250... |
<forme>-3.18<forme><bg>1.81<bg><abc>6.010 6.010 6.010<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 U1 Zn1 O6<comp><coord>Ba 0.250 0.250 0.250 Ba 0.750 0.750 0.750 U 0.500 0.500 0.500 Zn 0.000 0.000 0.000 O 0.746 0.746 0.254 O 0.254 0.746 0.746 O 0.254 0.746 0.254 O 0.254 0.254 0.746 O 0.746 0.254 0.254 O 0.746 0.2... |
<forme>-2.79<forme><bg>5.6<bg><abc>3.170 3.661 8.495<abc><angles>90.000 90.000 90.000<angles><comp>Al2 Cl2 O2<comp><coord>Al 0.500 0.000 0.902 Al 0.000 0.500 0.098 Cl 0.000 0.000 0.704 Cl 0.500 0.500 0.296 O 0.500 0.500 0.954 O 0.000 0.000 0.046 <coord> |
<forme>-1.71<forme><bg>0.59<bg><abc>4.412 7.537 7.752<abc><angles>107.919 90.000 90.000<angles><comp>Ca1 Dy2 Te4<comp><coord>Ca 0.000 0.500 0.500 Dy 0.000 0.000 0.000 Dy 0.500 0.500 0.000 Te 0.500 0.240 0.245 Te 0.000 0.746 0.238 Te 0.500 0.760 0.755 Te 0.000 0.254 0.762 <coord> |
<forme>-1.48<forme><bg>0.0<bg><abc>3.117 5.433 7.230<abc><angles>90.000 90.000 106.671<angles><comp>Na2 Ir2 O6<comp><coord>Na 0.252 0.504 0.750 Na 0.748 0.496 0.250 Ir 0.000 0.000 0.500 Ir 0.000 0.000 0.000 O 0.927 0.854 0.750 O 0.073 0.146 0.250 O 0.613 0.227 0.557 O 0.387 0.773 0.443 O 0.613 0.227 0.943 O 0.387 0.773... |
<forme>-1.2<forme><bg>1.75<bg><abc>7.450 10.346 10.346<abc><angles>60.290 68.896 68.896<angles><comp>Nb2 Tl5 S4 Br9<comp><coord>Nb 0.910 0.090 0.090 Nb 0.090 0.910 0.910 Tl 0.666 0.552 0.117 Tl 1.000 0.500 0.500 Tl 0.334 0.883 0.448 Tl 0.334 0.448 0.883 Tl 0.666 0.117 0.552 S 0.761 0.097 0.903 S 0.239 0.903 0.097 S 0.2... |
<forme>-0.12<forme><bg>0.0<bg><abc>4.236 4.236 4.236<abc><angles>60.000 60.000 60.000<angles><comp>Mn1 Co2 Sn1<comp><coord>Mn 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>-0.82<forme><bg>0.0<bg><abc>3.819 3.819 6.297<abc><angles>107.650 107.650 90.000<angles><comp>Sr1 Fe2 P2<comp><coord>Sr 0.000 0.000 0.000 Fe 0.750 0.250 0.500 Fe 0.250 0.750 0.500 P 0.654 0.654 0.308 P 0.346 0.346 0.692 <coord> |
<forme>-2.11<forme><bg>0.0<bg><abc>6.690 7.097 9.718<abc><angles>90.000 90.000 90.000<angles><comp>Eu4 Hf4 S12<comp><coord>Eu 0.474 0.584 0.250 Eu 0.026 0.084 0.250 Eu 0.526 0.416 0.750 Eu 0.974 0.916 0.750 Hf 0.000 0.500 0.000 Hf 0.500 0.000 0.500 Hf 0.000 0.500 0.500 Hf 0.500 0.000 0.000 S 0.898 0.478 0.250 S 0.602 0... |
<forme>-0.48<forme><bg>0.0<bg><abc>4.295 4.295 14.473<abc><angles>90.000 90.000 90.000<angles><comp>Eu1 Al8 Si1 Au4<comp><coord>Eu 0.000 0.000 0.006 Al 0.500 0.000 0.813 Al 0.000 0.500 0.813 Al 0.500 0.000 0.190 Al 0.000 0.500 0.190 Al 0.500 0.000 0.603 Al 0.000 0.500 0.603 Al 0.500 0.000 0.396 Al 0.000 0.500 0.396 Si ... |
<forme>-2.87<forme><bg>0.0<bg><abc>5.621 5.652 5.621<abc><angles>119.819 90.000 119.819<angles><comp>Sr2 Mg1 Re1 O6<comp><coord>Sr 0.750 0.500 0.250 Sr 0.250 0.500 0.750 Mg 0.500 0.000 0.500 Re 0.000 0.000 0.000 O 0.758 0.515 0.758 O 0.242 0.485 0.242 O 0.274 0.000 0.791 O 0.726 1.000 0.209 O 0.209 0.000 0.274 O 0.791 ... |
<forme>-0.06<forme><bg>0.0<bg><abc>2.977 2.977 11.589<abc><angles>82.620 82.620 60.000<angles><comp>Zn1 Au4<comp><coord>Zn 0.000 0.000 0.000 Au 0.605 0.605 0.184 Au 0.202 0.202 0.395 Au 0.798 0.798 0.605 Au 0.395 0.395 0.816 <coord> |
<forme>-0.61<forme><bg>0.0<bg><abc>3.103 3.103 13.833<abc><angles>90.000 90.000 120.000<angles><comp>Ti2 Nb2 Al2 C2<comp><coord>Ti 0.333 0.667 0.082 Ti 0.667 0.333 0.918 Nb 0.667 0.333 0.590 Nb 0.333 0.667 0.410 Al 0.667 0.333 0.246 Al 0.333 0.667 0.754 C 0.000 0.000 0.500 C 0.000 0.000 0.000 <coord> |
<forme>-0.67<forme><bg>0.0<bg><abc>5.589 5.633 8.432<abc><angles>70.939 83.012 68.417<angles><comp>Mg8 Sn2 N8<comp><coord>Mg 0.276 0.168 0.218 Mg 0.724 0.832 0.782 Mg 0.248 0.756 0.999 Mg 0.752 0.244 0.001 Mg 0.264 0.940 0.573 Mg 0.736 0.060 0.427 Mg 0.740 0.491 0.580 Mg 0.260 0.509 0.420 Sn 0.271 0.383 0.784 Sn 0.729 ... |
<forme>-2.71<forme><bg>3.66<bg><abc>5.382 5.871 9.697<abc><angles>89.648 90.000 90.000<angles><comp>V4 O4 F12<comp><coord>V 0.589 0.669 0.879 V 0.911 0.669 0.379 V 0.089 0.331 0.621 V 0.411 0.331 0.121 O 0.179 0.203 0.057 O 0.679 0.797 0.443 O 0.321 0.203 0.557 O 0.821 0.797 0.943 F 0.401 0.890 0.814 F 0.599 0.110 0.18... |
<forme>-0.28<forme><bg>0.0<bg><abc>5.010 5.010 5.010<abc><angles>60.000 60.000 60.000<angles><comp>Li2 Ca1 In1<comp><coord>Li 0.250 0.250 0.250 Li 0.750 0.750 0.750 Ca 0.000 0.000 0.000 In 0.500 0.500 0.500 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>4.241 4.241 4.241<abc><angles>60.000 60.000 60.000<angles><comp>Ta1 Mn2 Al1<comp><coord>Ta 0.250 0.250 0.250 Mn 0.000 0.000 0.000 Mn 0.500 0.500 0.500 Al 0.750 0.750 0.750 <coord> |
<forme>-1.84<forme><bg>0.25<bg><abc>3.172 3.172 11.266<abc><angles>98.094 98.094 90.000<angles><comp>Mn4 Fe1 O5<comp><coord>Mn 0.403 0.403 0.806 Mn 0.801 0.801 0.602 Mn 0.199 0.199 0.398 Mn 0.597 0.597 0.194 Fe 0.000 0.000 0.000 O 0.096 0.096 0.192 O 0.500 0.500 0.000 O 0.904 0.904 0.808 O 0.301 0.301 0.601 O 0.699 0.6... |
<forme>-0.25<forme><bg>0.0<bg><abc>4.089 5.496 5.496<abc><angles>97.117 90.000 90.000<angles><comp>Mn3 Pd5<comp><coord>Mn 0.000 0.000 0.000 Mn 0.500 0.726 0.274 Mn 0.500 0.274 0.726 Pd 0.000 0.500 0.500 Pd 1.000 0.000 0.500 Pd 0.000 0.500 0.000 Pd 0.500 0.225 0.225 Pd 0.500 0.775 0.775 <coord> |
<forme>-0.2<forme><bg>0.0<bg><abc>5.271 5.271 5.271<abc><angles>106.757 106.757 115.048<angles><comp>Zr4 Fe1 Co1<comp><coord>Zr 0.072 0.928 0.500 Zr 0.428 0.572 0.500 Zr 0.928 0.428 0.855 Zr 0.572 0.072 0.145 Fe 0.500 0.500 0.000 Co 0.000 0.000 0.000 <coord> |
<forme>-1.16<forme><bg>0.0<bg><abc>3.112 3.112 13.957<abc><angles>90.000 90.000 120.000<angles><comp>Ti4 In2 N2<comp><coord>Ti 0.667 0.333 0.078 Ti 0.333 0.667 0.922 Ti 0.333 0.667 0.578 Ti 0.667 0.333 0.422 In 0.667 0.333 0.750 In 0.333 0.667 0.250 N 0.000 0.000 0.500 N 0.000 0.000 0.000 <coord> |
<forme>-2.13<forme><bg>0.0<bg><abc>4.061 4.061 7.161<abc><angles>73.527 73.527 60.000<angles><comp>Yb1 Er1 Se2<comp><coord>Yb 0.500 0.500 0.500 Er 0.000 0.000 0.000 Se 0.252 0.252 0.245 Se 0.748 0.748 0.755 <coord> |
<forme>-3.87<forme><bg>1.1<bg><abc>6.016 6.042 8.106<abc><angles>90.000 99.714 90.000<angles><comp>Yb2 Hf2 F14<comp><coord>Yb 0.315 0.297 0.297 Yb 0.685 0.797 0.703 Hf 0.175 0.296 0.764 Hf 0.825 0.796 0.236 F 0.504 0.052 0.501 F 0.496 0.552 0.499 F 0.062 0.573 0.225 F 0.938 0.073 0.775 F 0.036 0.044 0.223 F 0.964 0.544... |
<forme>-1.43<forme><bg>0.39<bg><abc>5.738 5.738 7.390<abc><angles>112.842 112.842 90.000<angles><comp>Gd2 Ag2 Se4<comp><coord>Gd 0.746 0.746 0.492 Gd 0.496 0.996 0.992 Ag 0.218 0.218 0.437 Ag 0.968 0.468 0.937 Se 0.512 0.512 0.024 Se 0.262 0.762 0.524 Se 0.984 0.984 0.968 Se 0.734 0.234 0.468 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>4.202 7.193 7.193<abc><angles>90.000 90.000 90.000<angles><comp>Tm4 Mg2 Ge4<comp><coord>Tm 0.500 0.677 0.177 Tm 0.500 0.323 0.823 Tm 0.500 0.177 0.323 Tm 0.500 0.823 0.677 Mg 0.000 0.500 0.500 Mg 0.000 0.000 0.000 Ge 0.000 0.876 0.376 Ge 1.000 0.124 0.624 Ge 0.000 0.376 0.124 Ge 1.000... |
<forme>-2.14<forme><bg>1.62<bg><abc>5.878 5.904 5.907<abc><angles>89.950 60.277 60.279<angles><comp>Li4 V2 Ni2 O8<comp><coord>Li 1.000 0.500 0.000 Li 0.500 0.500 0.500 Li 0.500 0.000 0.500 Li 0.000 0.500 0.500 V 0.500 1.000 0.000 V 1.000 0.000 1.000 Ni 0.500 0.500 0.000 Ni 1.000 0.000 0.500 O 0.995 0.226 0.776 O 0.975 ... |
<forme>-0.96<forme><bg>0.0<bg><abc>3.361 6.019 8.964<abc><angles>90.000 90.000 106.213<angles><comp>Zr6 Zn2 N2<comp><coord>Zr 0.374 0.748 0.048 Zr 0.626 0.252 0.548 Zr 0.626 0.252 0.952 Zr 0.374 0.748 0.452 Zr 0.047 0.094 0.250 Zr 0.953 0.906 0.750 Zn 0.744 0.489 0.250 Zn 0.256 0.511 0.750 N 0.000 0.000 0.000 N 0.000 0... |
<forme>-0.27<forme><bg>0.0<bg><abc>4.231 4.231 6.865<abc><angles>90.000 90.000 120.000<angles><comp>Li2 Ga2 Ge2<comp><coord>Li 0.000 0.000 0.245 Li 0.000 0.000 0.745 Ga 0.333 0.667 0.445 Ga 0.667 0.333 0.945 Ge 0.667 0.333 0.560 Ge 0.333 0.667 0.060 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>3.180 6.835 7.419<abc><angles>102.155 90.000 103.451<angles><comp>Ce2 Mg4<comp><coord>Ce 0.484 0.967 0.674 Ce 0.516 0.033 0.326 Mg 0.206 0.412 0.648 Mg 0.851 0.703 0.969 Mg 0.149 0.297 0.031 Mg 0.794 0.588 0.352 <coord> |
<forme>-0.14<forme><bg>0.0<bg><abc>4.188 4.188 4.188<abc><angles>60.000 60.000 60.000<angles><comp>Ni3 Sn1<comp><coord>Ni 0.500 0.500 0.500 Ni 0.250 0.250 0.250 Ni 0.750 0.750 0.750 Sn 0.000 0.000 0.000 <coord> |
<forme>-1.9<forme><bg>2.3<bg><abc>4.750 4.967 5.845<abc><angles>90.000 90.000 90.958<angles><comp>Zn2 Mo2 O8<comp><coord>Zn 0.500 0.750 0.310 Zn 0.500 0.250 0.690 Mo 0.000 0.250 0.185 Mo 0.000 0.750 0.815 O 0.257 0.406 0.374 O 0.743 0.094 0.374 O 0.743 0.594 0.626 O 0.257 0.906 0.626 O 0.784 0.562 0.105 O 0.216 0.938 0... |
<forme>-2.33<forme><bg>1.61<bg><abc>4.036 4.036 8.713<abc><angles>90.000 90.000 90.000<angles><comp>La2 Cu2 Se1 S1 O2<comp><coord>La 0.500 0.500 0.859 La 0.000 0.000 0.146 Cu 0.000 0.500 0.492 Cu 0.500 0.000 0.492 Se 0.000 0.000 0.668 S 0.500 0.500 0.339 O 0.000 0.500 0.003 O 0.500 0.000 0.003 <coord> |
<forme>-0.52<forme><bg>0.0<bg><abc>4.246 4.246 4.246<abc><angles>90.000 90.000 90.000<angles><comp>Tm1 Ga3<comp><coord>Tm 0.000 0.000 0.000 Ga 0.500 0.500 0.000 Ga 0.500 0.000 0.500 Ga 0.000 0.500 0.500 <coord> |
<forme>-1.93<forme><bg>0.88<bg><abc>5.060 5.131 5.957<abc><angles>90.000 89.996 70.732<angles><comp>Li4 Mn2 Co2 O8<comp><coord>Li 0.500 0.500 0.003 Li 1.000 0.500 0.247 Li 0.500 0.500 0.495 Li 0.000 0.500 0.755 Mn 1.000 0.000 0.500 Mn 0.500 1.000 0.750 Co 0.500 0.000 0.243 Co 0.000 0.000 0.007 O 0.271 0.234 0.978 O 0.7... |
<forme>-2.84<forme><bg>1.47<bg><abc>4.057 4.057 4.057<abc><angles>90.000 90.000 90.000<angles><comp>K1 Nb1 O3<comp><coord>K 0.000 0.000 0.000 Nb 0.500 0.500 0.500 O 0.000 0.500 0.500 O 0.500 0.000 0.500 O 0.500 0.500 0.000 <coord> |
<forme>-2.2<forme><bg>0.0<bg><abc>3.778 5.959 8.027<abc><angles>89.796 90.000 108.481<angles><comp>Ce2 Cr2 S4 O2<comp><coord>Ce 0.735 0.469 0.293 Ce 0.265 0.531 0.707 Cr 0.000 0.000 0.500 Cr 0.500 1.000 0.000 S 0.451 0.902 0.298 S 0.859 0.718 0.965 S 0.141 0.282 0.035 S 0.549 0.098 0.702 O 0.174 0.347 0.433 O 0.826 0.6... |
<forme>-0.1<forme><bg>0.17<bg><abc>7.251 7.251 10.001<abc><angles>111.255 111.255 90.000<angles><comp>Cs3 In9<comp><coord>Cs 0.000 0.000 0.000 Cs 0.628 0.128 0.255 Cs 0.872 0.372 0.745 In 0.500 0.500 0.000 In 0.306 0.609 0.218 In 0.391 0.694 0.782 In 0.391 0.088 0.782 In 0.912 0.609 0.218 In 0.572 0.779 0.558 In 0.221 ... |
<forme>-0.14<forme><bg>0.0<bg><abc>4.397 4.397 4.397<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Al1 Zn2<comp><coord>Li 0.000 0.000 0.000 Al 0.500 0.500 0.500 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 <coord> |
<forme>-0.64<forme><bg>0.0<bg><abc>4.100 4.122 8.189<abc><angles>104.574 90.000 90.000<angles><comp>Ho2 Co1 Ge4<comp><coord>Ho 0.250 0.104 0.209 Ho 0.750 0.896 0.792 Co 0.250 0.309 0.618 Ge 0.250 0.740 0.480 Ge 0.750 0.242 0.485 Ge 0.250 0.453 0.906 Ge 0.750 0.557 0.113 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>4.060 4.060 4.060<abc><angles>60.000 60.000 60.000<angles><comp>Mn2 Al1 Co1<comp><coord>Mn 0.750 0.750 0.750 Mn 0.000 0.000 0.000 Al 0.250 0.250 0.250 Co 0.500 0.500 0.500 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>5.568 7.118 7.118<abc><angles>60.000 90.000 90.000<angles><comp>Ho2 Tm6<comp><coord>Ho 0.250 0.333 0.333 Ho 0.750 0.667 0.667 Tm 0.750 0.667 0.166 Tm 0.750 0.166 0.166 Tm 0.750 0.166 0.667 Tm 0.250 0.333 0.834 Tm 0.250 0.834 0.834 Tm 0.250 0.834 0.333 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>3.576 3.576 6.434<abc><angles>73.867 73.867 60.000<angles><comp>Ho2 C1<comp><coord>Ho 0.740 0.740 0.780 Ho 0.260 0.260 0.220 C 0.000 0.000 0.000 <coord> |
<forme>-1.13<forme><bg>0.0<bg><abc>3.976 3.976 8.408<abc><angles>90.000 90.000 90.000<angles><comp>U2 As2 Se2<comp><coord>U 0.000 0.500 0.727 U 0.500 0.000 0.273 As 0.000 0.000 0.000 As 0.500 0.500 0.000 Se 0.500 0.000 0.635 Se 0.000 0.500 0.365 <coord> |
<forme>-1.04<forme><bg>0.0<bg><abc>4.962 4.962 4.962<abc><angles>60.000 60.000 60.000<angles><comp>Yb2 Pt1 Au1<comp><coord>Yb 0.750 0.750 0.750 Yb 0.250 0.250 0.250 Pt 0.000 0.000 0.000 Au 0.500 0.500 0.500 <coord> |
<forme>-2.8<forme><bg>3.93<bg><abc>6.293 6.293 10.787<abc><angles>73.039 73.039 60.000<angles><comp>Cs4 Mn2 Ni2 F12<comp><coord>Cs 0.867 0.867 0.399 Cs 0.132 0.132 0.605 Cs 0.715 0.715 0.855 Cs 0.287 0.287 0.139 Mn 0.002 0.002 0.994 Mn 0.593 0.593 0.222 Ni 0.499 0.499 0.502 Ni 0.409 0.409 0.773 F 0.829 0.399 0.374 F 0.... |
<forme>-0.07<forme><bg>0.0<bg><abc>5.582 5.582 5.857<abc><angles>71.522 71.522 60.885<angles><comp>Mg3 Sn3<comp><coord>Mg 0.664 0.000 0.005 Mg 1.000 0.336 0.995 Mg 0.502 0.498 0.500 Sn 0.343 0.657 0.000 Sn 0.164 0.173 0.499 Sn 0.827 0.836 0.501 <coord> |
<forme>-2.32<forme><bg>1.03<bg><abc>3.858 10.776 11.114<abc><angles>108.575 90.000 90.000<angles><comp>Er6 Sc2 S12<comp><coord>Er 0.750 0.184 0.006 Er 0.250 0.816 0.994 Er 0.750 0.547 0.196 Er 0.250 0.453 0.804 Er 0.750 0.939 0.334 Er 0.250 0.061 0.666 Sc 0.750 0.655 0.583 Sc 0.250 0.345 0.417 S 0.750 0.887 0.560 S 0.2... |
<forme>-0.64<forme><bg>0.0<bg><abc>4.151 4.151 10.165<abc><angles>101.781 101.781 90.000<angles><comp>Tb2 Al4 Ni1 Ge2<comp><coord>Tb 0.814 0.814 0.628 Tb 0.186 0.186 0.372 Al 0.433 0.933 0.865 Al 0.933 0.433 0.865 Al 0.067 0.567 0.135 Al 0.567 0.067 0.135 Ni 0.000 0.000 0.000 Ge 0.662 0.662 0.325 Ge 0.338 0.338 0.675 <... |
<forme>-2.36<forme><bg>1.29<bg><abc>3.979 3.979 9.399<abc><angles>90.000 90.000 90.000<angles><comp>Nd1 Bi2 Br1 O4<comp><coord>Nd 0.000 0.000 0.000 Bi 0.500 0.500 0.727 Bi 0.500 0.500 0.273 Br 0.000 0.000 0.500 O 0.500 0.000 0.157 O 0.000 0.500 0.157 O 0.000 0.500 0.843 O 0.500 0.000 0.843 <coord> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.