Tb5(CdHg)2
Alexandria ALEXAlex-ID: agm003315751 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_258_spg64
Tb4Cd3Hg Tb3CdHg2 Tb2Hg
2022-01-19 11:42:11.883592
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003315751).
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 agm003315751
data_agm003315751
_cell_length_a 8.31671
_cell_length_b 7.26230
_cell_length_c 9.15408
_cell_angle_alpha 113.37017
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 507.53350
_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 0.00000 0.00000 0.00000 1.00000
Tb2 Tb 0.50000 0.50000 0.00000 1.00000
Tb3 Tb 0.81765 0.81554 0.27745 1.00000
Tb4 Tb 0.18235 0.46191 0.27745 1.00000
Tb5 Tb 0.31765 0.96191 0.27745 1.00000
Tb6 Tb 0.68235 0.31554 0.27745 1.00000
Tb7 Tb 0.18235 0.18446 0.72255 1.00000
Tb8 Tb 0.81765 0.53809 0.72255 1.00000
Tb9 Tb 0.68235 0.03809 0.72255 1.00000
Tb10 Tb 0.31765 0.68446 0.72255 1.00000
Cd1 Cd 0.00000 0.21612 0.43225 1.00000
Cd2 Cd 0.50000 0.71612 0.43225 1.00000
Cd3 Cd 0.00000 0.78388 0.56775 1.00000
Cd4 Cd 0.50000 0.28388 0.56775 1.00000
Hg1 Hg 0.64366 0.88653 0.00000 1.00000
Hg2 Hg 0.35634 0.11347 1.00000 1.00000
Hg3 Hg 0.14366 0.61347 1.00000 1.00000
Hg4 Hg 0.85634 0.38653 0.00000 1.00000
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