TmHfNi2
Alexandria ALEXAlex-ID: agm005804837 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_141_spg11
HfNi TmNi
2023-07-13 00:48:07.541287
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804837).
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 agm005804837
data_agm005804837
_cell_length_a 4.26296
_cell_length_b 5.08956
_cell_length_c 6.89248
_cell_angle_alpha 108.75156
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 141.60583
_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
Tm1 Tm 0.25000 0.27704 0.07289 1.00000
Tm2 Tm 0.75000 0.72296 0.92711 1.00000
Hf1 Hf 0.75000 0.71717 0.43548 1.00000
Hf2 Hf 0.25000 0.28283 0.56452 1.00000
Ni1 Ni 0.25000 0.84402 0.24318 1.00000
Ni2 Ni 0.75000 0.15598 0.75682 1.00000
Ni3 Ni 0.75000 0.16294 0.31794 1.00000
Ni4 Ni 0.25000 0.83706 0.68206 1.00000
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