AlPC
Alexandria ALEXAlex-ID: agm002043737 · 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
ABC_3793_spg12
AlP C
2021-10-06 07:37:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002043737).
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 agm002043737
data_agm002043737
_cell_length_a 6.93725
_cell_length_b 3.39865
_cell_length_c 9.39556
_cell_angle_alpha 90.00000
_cell_angle_beta 126.27412
_cell_angle_gamma 90.00000
_cell_volume 178.58989
_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
P1 P 0.86663 0.00000 0.69067 1.00000
P2 P 0.13337 0.00000 0.30933 1.00000
P3 P 0.86663 0.50000 0.19067 1.00000
P4 P 0.13337 0.50000 0.80933 1.00000
C1 C 0.69512 0.00000 0.77099 1.00000
C2 C 0.30488 0.00000 0.22901 1.00000
C3 C 0.69512 0.50000 0.27099 1.00000
C4 C 0.30488 0.50000 0.72901 1.00000
Al1 Al 0.32958 0.00000 0.63014 1.00000
Al2 Al 0.67042 0.00000 0.36986 1.00000
Al3 Al 0.32958 0.50000 0.13014 1.00000
Al4 Al 0.67042 0.50000 0.86986 1.00000
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