NaAc2TbHg4
Alexandria ALEXAlex-ID: agm017379644 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_43_spg5
NaAc2Hg3 TbHg
2024-11-10 10:58:38.011825
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017379644).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm017379644
data_agm017379644
_cell_length_a 9.62845
_cell_length_b 9.62845
_cell_length_c 9.62845
_cell_angle_alpha 33.17890
_cell_angle_beta 33.17890
_cell_angle_gamma 33.17890
_cell_volume 237.97034
_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
Na1 Na 0.50000 0.50000 0.50000 1.00000
Ac1 Ac 0.75319 0.75319 0.75319 1.00000
Ac2 Ac 0.24681 0.24681 0.24681 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.37169 0.37169 0.37169 1.00000
Hg2 Hg 0.87789 0.87789 0.87789 1.00000
Hg3 Hg 0.12211 0.12211 0.12211 1.00000
Hg4 Hg 0.62831 0.62831 0.62831 1.00000
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