Tb6Tl5Ag
Alexandria ALEXAlex-ID: agm003677181 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_52_spg12
TbTl Tb5Tl4Ag
2022-04-09 19:09:42.851264
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003677181).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm003677181
data_agm003677181
_cell_length_a 9.78710
_cell_length_b 6.47940
_cell_length_c 6.52418
_cell_angle_alpha 60.22679
_cell_angle_beta 83.40102
_cell_angle_gamma 76.61889
_cell_volume 349.36553
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb1 Tb 0.75888 0.07608 0.32690 1.00000
Tb2 Tb 0.24112 0.59701 0.32690 1.00000
Tb3 Tb 0.25679 0.24040 1.00000 1.00000
Tb4 Tb 0.74321 0.75960 0.00000 1.00000
Tb5 Tb 0.75888 0.40299 0.67310 1.00000
Tb6 Tb 0.24112 0.92392 0.67310 1.00000
Tl1 Tl 0.50000 0.17740 0.64519 1.00000
Tl2 Tl 1.00000 0.34540 0.30921 1.00000
Tl3 Tl 0.50000 0.50000 0.00000 1.00000
Tl4 Tl 0.00000 0.65460 0.69079 1.00000
Tl5 Tl 0.50000 0.82260 0.35481 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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