Tb(AgCl2)4
Alexandria ALEXAlex-ID: agm097977862 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1247_spg1
AgCl Ag3Cl4 TbCl3
2025-06-12 16:38:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097977862).
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 agm097977862
data_agm097977862
_cell_length_a 6.64525
_cell_length_b 7.97868
_cell_length_c 7.90309
_cell_angle_alpha 119.68572
_cell_angle_beta 89.95026
_cell_angle_gamma 92.57050
_cell_volume 363.55343
_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 0.50006 0.99999 0.03317 1.00000
Ag1 Ag 0.00028 0.00009 0.82724 1.00000
Ag2 Ag 0.03189 0.47313 0.49309 1.00000
Ag3 Ag 0.96778 0.52704 0.02003 1.00000
Ag4 Ag 0.99973 0.99995 0.45932 1.00000
Cl1 Cl 0.29542 0.17624 0.35842 1.00000
Cl2 Cl 0.20510 0.71971 0.87157 1.00000
Cl3 Cl 0.15383 0.68382 0.35261 1.00000
Cl4 Cl 0.31474 0.19615 0.88871 1.00000
Cl5 Cl 0.70426 0.82380 0.18225 1.00000
Cl6 Cl 0.84587 0.31622 0.66912 1.00000
Cl7 Cl 0.79501 0.28017 0.15199 1.00000
Cl8 Cl 0.68603 0.80370 0.69248 1.00000
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