HfTi4Mn
Alexandria ALEXAlex-ID: agm005773759 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1206_spg12
HfTi2 Ti3Mn Hf
2023-07-31 13:35:47.778594
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773759).
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 agm005773759
data_agm005773759
_cell_length_a 4.48551
_cell_length_b 5.30310
_cell_length_c 5.47891
_cell_angle_alpha 61.54409
_cell_angle_beta 65.83643
_cell_angle_gamma 64.98130
_cell_volume 100.23548
_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
Hf1 Hf 0.00000 0.50000 0.50000 1.00000
Ti1 Ti 0.64305 0.01144 0.70246 1.00000
Ti2 Ti 0.35695 0.98856 0.29754 1.00000
Ti3 Ti 0.71437 0.43099 0.14026 1.00000
Ti4 Ti 0.28563 0.56901 0.85974 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
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