Th18Mn2NiBi6
Alexandria ALEXAlex-ID: agm020320730 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6D18_18_spg38
Th5NiBi3 Th3MnBi Th Th6MnBi2
2025-03-10 19:06:54.000434
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020320730).
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 agm020320730
data_agm020320730
_cell_length_a 23.30526
_cell_length_b 23.30526
_cell_length_c 3.95605
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 158.20931
_cell_volume 797.62250
_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
Th1 Th 0.76132 0.76132 0.50000 1.00000
Th2 Th 0.43208 0.09846 0.50000 1.00000
Th3 Th 0.09846 0.43208 0.50000 1.00000
Th4 Th 0.74471 0.48890 0.50000 1.00000
Th5 Th 0.41052 0.82230 0.50000 1.00000
Th6 Th 0.08095 0.16090 0.50000 1.00000
Th7 Th 0.16090 0.08095 0.50000 1.00000
Th8 Th 0.82230 0.41052 0.50000 1.00000
Th9 Th 0.48890 0.74471 0.50000 1.00000
Th10 Th 0.41621 0.41621 0.00000 1.00000
Th11 Th 0.07267 0.73915 0.00000 1.00000
Th12 Th 0.73915 0.07267 0.00000 1.00000
Th13 Th 0.86309 0.72539 0.00000 1.00000
Th14 Th 0.53072 0.06175 0.00000 1.00000
Th15 Th 0.19783 0.39579 0.00000 1.00000
Th16 Th 0.39579 0.19783 0.00000 1.00000
Th17 Th 0.06175 0.53072 0.00000 1.00000
Th18 Th 0.72539 0.86309 0.00000 1.00000
Mn1 Mn 0.66602 0.33197 0.00000 1.00000
Mn2 Mn 0.33197 0.66602 0.00000 1.00000
Ni1 Ni 0.00085 0.00085 0.00000 1.00000
Bi1 Bi 0.11199 0.88947 0.50000 1.00000
Bi2 Bi 0.77750 0.22192 0.50000 1.00000
Bi3 Bi 0.44422 0.55600 0.50000 1.00000
Bi4 Bi 0.55600 0.44422 0.50000 1.00000
Bi5 Bi 0.22192 0.77750 0.50000 1.00000
Bi6 Bi 0.88947 0.11199 0.50000 1.00000
