Tb2MnSi5Ni2
Alexandria ALEXAlex-ID: agm044342265 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_56_spg15
TbSi2Ni MnSi
2024-11-13 16:59:47.353604
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044342265).
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 agm044342265
data_agm044342265
_cell_length_a 7.93773
_cell_length_b 7.93773
_cell_length_c 7.93773
_cell_angle_alpha 138.83868
_cell_angle_beta 104.99480
_cell_angle_gamma 89.33588
_cell_volume 304.48490
_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 0.39596 0.63133 0.76463 1.00000
Tb2 Tb 0.86670 0.13133 0.73537 1.00000
Tb3 Tb 0.60404 0.36867 0.23537 1.00000
Tb4 Tb 0.13330 0.86867 0.26463 1.00000
Mn1 Mn 0.00000 0.25000 0.25000 1.00000
Mn2 Mn 0.00000 0.75000 0.75000 1.00000
Si1 Si 0.73951 0.89616 0.84335 1.00000
Si2 Si 0.05281 0.39616 0.65665 1.00000
Si3 Si 0.26049 0.10384 0.15665 1.00000
Si4 Si 0.94719 0.60384 0.34335 1.00000
Si5 Si 0.50000 0.75000 0.25000 1.00000
Si6 Si 0.50000 0.25000 0.75000 1.00000
Si7 Si 0.22776 0.47776 0.25000 1.00000
Si8 Si 0.77224 0.52224 0.75000 1.00000
Si9 Si 0.77224 0.02224 0.25000 1.00000
Si10 Si 0.22776 0.97776 0.75000 1.00000
Ni1 Ni 0.47216 0.86268 0.60948 1.00000
Ni2 Ni 0.25319 0.36268 0.89052 1.00000
Ni3 Ni 0.52784 0.13732 0.39052 1.00000
Ni4 Ni 0.74681 0.63732 0.10948 1.00000
