Tb3Hg2N
Alexandria ALEXAlex-ID: agm003419984 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_985_spg65
TbHg TbN
2022-02-13 19:27:48.781378
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003419984).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003419984
data_agm003419984
_cell_length_a 4.89124
_cell_length_b 7.00719
_cell_length_c 8.19221
_cell_angle_alpha 90.00616
_cell_angle_beta 107.36876
_cell_angle_gamma 90.00001
_cell_volume 267.97601
_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 0.49999 0.25000 1.00000 1.00000
Tb2 Tb 0.50001 0.75000 0.00000 1.00000
Tb3 Tb 0.11047 0.99996 0.22094 1.00000
Tb4 Tb 0.88954 0.50004 0.77906 1.00000
Tb5 Tb 0.11046 0.49996 0.22094 1.00000
Tb6 Tb 0.88953 0.00004 0.77906 1.00000
Hg1 Hg 0.69615 0.74986 0.39232 1.00000
Hg2 Hg 0.69616 0.24986 0.39232 1.00000
Hg3 Hg 0.30384 0.75014 0.60768 1.00000
Hg4 Hg 0.30385 0.25014 0.60768 1.00000
N1 N 0.00001 0.75000 1.00000 1.00000
N2 N 0.99999 0.25000 0.00000 1.00000
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