CrH6Pb
Alexandria ALEXAlex-ID: agm076281130 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_175_spg121
H6Pb CrH Pb
2025-06-26 19:29:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076281130).
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 agm076281130
data_agm076281130
_cell_length_a 5.10213
_cell_length_b 4.80256
_cell_length_c 5.72135
_cell_angle_alpha 81.47583
_cell_angle_beta 129.31996
_cell_angle_gamma 124.01078
_cell_volume 85.12742
_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
Cr1 Cr 0.28130 0.73835 0.32292 1.00000
H1 H 0.70070 0.16237 0.46277 1.00000
H2 H 0.78191 0.59744 0.12157 1.00000
H3 H 0.23774 0.69448 0.00456 1.00000
H4 H 0.56654 0.57836 0.49573 1.00000
H5 H 0.45793 0.15552 0.32367 1.00000
H6 H 0.75688 0.80648 0.54658 1.00000
Pb1 Pb 0.71700 0.01701 0.97219 1.00000
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