Split (1)

train · 45.2k rows

text stringlengths 140 560
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<forme>-0.77<forme><bg>0.0<bg><abc>3.332 3.332 14.580<abc><angles>90.000 90.000 120.000<angles><comp>Hf4 Sn2 C2<comp><coord>Hf 0.667 0.333 0.915 Hf 0.333 0.667 0.415 Hf 0.333 0.667 0.085 Hf 0.667 0.333 0.585 Sn 0.667 0.333 0.250 Sn 0.333 0.667 0.750 C 0.000 0.000 0.000 C 0.000 0.000 0.500 <coord>
<forme>-3.55<forme><bg>3.5<bg><abc>5.087 5.806 5.308<abc><angles>90.000 86.463 90.000<angles><comp>Er2 Nb2 O8<comp><coord>Er 0.000 0.796 0.250 Er 0.000 0.204 0.750 Nb 0.500 0.317 0.250 Nb 0.500 0.683 0.750 O 0.759 0.111 0.105 O 0.716 0.594 0.040 O 0.284 0.594 0.460 O 0.241 0.111 0.395 O 0.759 0.889 0.605 O 0.716 0.406 0.541 O 0.284 0.406 0.960 O 0.241 0.889 0.895 <coord>
<forme>-0.92<forme><bg>0.0<bg><abc>6.940 6.940 6.940<abc><angles>60.000 60.000 60.000<angles><comp>Cr4 Co1 Cu1 S8<comp><coord>Cr 0.874 0.874 0.378 Cr 0.874 0.874 0.874 Cr 0.874 0.378 0.874 Cr 0.378 0.874 0.874 Co 0.250 0.250 0.250 Cu 0.500 0.500 0.500 S 0.120 0.120 0.641 S 0.120 0.120 0.120 S 0.120 0.641 0.120 S 0.641 0.120 0.120 S 0.633 0.633 0.102 S 0.633 0.633 0.633 S 0.633 0.102 0.633 S 0.102 0.633 0.633 <coord>
<forme>-2.01<forme><bg>1.62<bg><abc>6.271 6.352 6.366<abc><angles>99.553 99.536 99.728<angles><comp>In4 Sn3 O12<comp><coord>In 0.694 0.865 0.393 In 0.138 0.604 0.317 In 0.604 0.314 0.138 In 0.310 0.129 0.605 Sn 0.001 0.005 0.001 Sn 0.860 0.397 0.682 Sn 0.396 0.686 0.861 O 0.590 0.431 0.821 O 0.416 0.810 0.584 O 0.821 0.580 0.431 O 0.414 0.584 0.162 O 0.590 0.180 0.426 O 0.178 0.417 0.600 O 0.057 0.687 0.890 O 0.681 0.899 0.046 O 0.905 0.073 0.693 O 0.944 0.316 0.097 O 0.319 0.082 0.942 O 0.085 0.940 0.311 <coord>
<forme>-0.3<forme><bg>0.0<bg><abc>5.107 5.107 5.107<abc><angles>60.000 60.000 60.000<angles><comp>Ca1 Gd1 Zn2<comp><coord>Ca 0.000 0.000 0.000 Gd 0.500 0.500 0.500 Zn 0.250 0.250 0.250 Zn 0.750 0.750 0.750 <coord>
<forme>-0.13<forme><bg>0.0<bg><abc>6.145 6.800 6.800<abc><angles>90.000 90.000 90.000<angles><comp>Pt2 Pb8<comp><coord>Pt 0.000 0.500 0.500 Pt 0.000 0.000 0.000 Pb 0.251 0.825 0.675 Pb 0.251 0.325 0.825 Pb 0.749 0.325 0.175 Pb 0.749 0.675 0.825 Pb 0.749 0.175 0.675 Pb 0.749 0.825 0.325 Pb 0.251 0.175 0.325 Pb 0.251 0.675 0.175 <coord>
<forme>-1.89<forme><bg>0.0<bg><abc>4.627 4.627 4.627<abc><angles>60.000 60.000 60.000<angles><comp>Eu1 Te1<comp><coord>Eu 0.000 0.000 0.000 Te 0.500 0.500 0.500 <coord>
<forme>-1.22<forme><bg>0.0<bg><abc>8.308 9.589 8.308<abc><angles>64.329 90.000 115.671<angles><comp>Ba2 U4 Te10<comp><coord>Ba 0.750 0.500 0.250 Ba 0.250 0.500 0.750 U 0.651 1.000 0.151 U 0.349 0.000 0.849 U 0.151 1.000 0.349 U 0.849 0.000 0.651 Te 0.016 0.733 0.783 Te 0.717 0.733 0.484 Te 0.516 0.733 0.984 Te 0.217 0.733 0.283 Te 0.984 0.267 0.217 Te 0.283 0.267 0.516 Te 0.484 0.267 0.016 Te 0.783 0.267 0.717 Te 0.000 0.000 0.000 Te 0.500 0.000 0.500 <coord>
<forme>-2.53<forme><bg>0.0<bg><abc>4.014 4.039 7.823<abc><angles>90.000 90.000 90.000<angles><comp>Ba1 Fe2 Nd1 O5<comp><coord>Ba 0.005 0.000 0.000 Fe 0.506 0.500 0.264 Fe 0.506 0.500 0.736 Nd 0.005 0.000 0.500 O 0.506 0.000 0.693 O 0.007 0.500 0.310 O 0.506 0.000 0.307 O 0.511 0.500 1.000 O 0.007 0.500 0.690 <coord>

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