TbCe3Ag8
Alexandria ALEXAlex-ID: agm014629338 · 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
AB3C8_189_spg139
TbAg2 CeAg2
2024-11-14 01:58:30.735183
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014629338).
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 agm014629338
data_agm014629338
_cell_length_a 5.87880
_cell_length_b 5.87880
_cell_length_c 8.13951
_cell_angle_alpha 79.04479
_cell_angle_beta 79.04479
_cell_angle_gamma 92.47737
_cell_volume 270.22438
_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 0.40796 0.59204 0.50000 1.00000
Ce1 Ce 0.66304 0.84852 0.75505 1.00000
Ce2 Ce 0.15148 0.33696 0.24495 1.00000
Ce3 Ce 0.90782 0.09218 0.00000 1.00000
Ag1 Ag 0.94722 0.79813 0.37682 1.00000
Ag2 Ag 0.45014 0.30276 0.87203 1.00000
Ag3 Ag 0.86854 0.38698 0.62368 1.00000
Ag4 Ag 0.36528 0.88263 0.12822 1.00000
Ag5 Ag 0.69724 0.54986 0.12797 1.00000
Ag6 Ag 0.61302 0.13146 0.37632 1.00000
Ag7 Ag 0.11737 0.63472 0.87178 1.00000
Ag8 Ag 0.20187 0.05278 0.62318 1.00000
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