Hf3Os
Alexandria ALEXAlex-ID: agm005543474 · 空间群: P4_2/nbc (#133)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_281_spg86
HfOs Hf
2023-05-28 18:15:39.227413
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543474).
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 agm005543474
data_agm005543474
_cell_length_a 5.44759
_cell_length_b 10.88522
_cell_length_c 10.88522
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 645.47421
_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 0.99998 0.29070 0.79072 1.00000
Hf2 Hf 0.99998 0.70930 0.20928 1.00000
Hf3 Hf 0.49998 0.70928 0.79070 1.00000
Hf4 Hf 0.49998 0.29072 0.20930 1.00000
Hf5 Hf 0.50002 0.20930 0.70928 1.00000
Hf6 Hf 0.50002 0.79070 0.29072 1.00000
Hf7 Hf 0.00002 0.79072 0.70930 1.00000
Hf8 Hf 0.00002 0.20928 0.29070 1.00000
Hf9 Hf 0.49993 0.40381 0.90382 1.00000
Hf10 Hf 0.49993 0.59619 0.09618 1.00000
Hf11 Hf 0.99993 0.59618 0.90381 1.00000
Hf12 Hf 0.99993 0.40382 0.09619 1.00000
Hf13 Hf 0.00007 0.09619 0.59618 1.00000
Hf14 Hf 0.00007 0.90381 0.40382 1.00000
Hf15 Hf 0.50007 0.90382 0.59619 1.00000
Hf16 Hf 0.50007 0.09618 0.40381 1.00000
Hf17 Hf 0.75002 0.00001 0.85348 1.00000
Hf18 Hf 0.75002 0.99999 0.14652 1.00000
Hf19 Hf 0.25002 0.64652 0.50001 1.00000
Hf20 Hf 0.25002 0.35348 0.49999 1.00000
Hf21 Hf 0.74998 0.49999 0.64652 1.00000
Hf22 Hf 0.74998 0.50001 0.35348 1.00000
Hf23 Hf 0.24998 0.85348 0.99999 1.00000
Hf24 Hf 0.24998 0.14652 0.00001 1.00000
Os1 Os 0.74997 0.79038 0.00000 1.00000
Os2 Os 0.74997 0.20962 1.00000 1.00000
Os3 Os 0.24997 0.50000 0.29038 1.00000
Os4 Os 0.24997 0.50000 0.70962 1.00000
Os5 Os 0.75003 0.70962 0.50000 1.00000
Os6 Os 0.75003 0.29038 0.50000 1.00000
Os7 Os 0.25003 0.00000 0.20962 1.00000
Os8 Os 0.25003 1.00000 0.79038 1.00000
