Pm6HfCu8
Alexandria ALEXAlex-ID: agm072129352 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_1176_spg1
PmCu2 Hf2Cu PmCu
2024-10-06 04:48:53.524091
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072129352).
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 agm072129352
data_agm072129352
_cell_length_a 5.64410
_cell_length_b 7.83344
_cell_length_c 8.31844
_cell_angle_alpha 106.93275
_cell_angle_beta 107.00006
_cell_angle_gamma 101.17031
_cell_volume 320.44927
_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
Pm1 Pm 0.68063 0.34290 0.50055 1.00000
Pm2 Pm 0.21731 0.63180 0.94893 1.00000
Pm3 Pm 0.23013 0.17525 0.69709 1.00000
Pm4 Pm 0.31937 0.65710 0.49945 1.00000
Pm5 Pm 0.78269 0.36820 0.05107 1.00000
Pm6 Pm 0.76987 0.82475 0.30291 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.54456 0.07351 0.15411 1.00000
Cu2 Cu 0.45544 0.92649 0.84589 1.00000
Cu3 Cu 0.30277 0.95720 0.33008 1.00000
Cu4 Cu 0.93376 0.77701 0.66597 1.00000
Cu5 Cu 0.32794 0.36048 0.15340 1.00000
Cu6 Cu 0.69723 0.04280 0.66992 1.00000
Cu7 Cu 0.06624 0.22299 0.33403 1.00000
Cu8 Cu 0.67206 0.63952 0.84660 1.00000
获取直接链接