Ac3P2Cl
Alexandria ALEXAlex-ID: agm005754887 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1467_spg63
Ac4P3Cl Ac2PCl2 Ac
2023-08-29 20:44:17.245155
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754887).
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 agm005754887
data_agm005754887
_cell_length_a 4.44638
_cell_length_b 8.61501
_cell_length_c 12.33990
_cell_angle_alpha 90.02380
_cell_angle_beta 89.99993
_cell_angle_gamma 105.02537
_cell_volume 456.52604
_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
Ac1 Ac 0.62800 0.25440 0.01532 1.00000
Ac2 Ac 0.00198 0.00427 0.75001 1.00000
Ac3 Ac 0.62800 0.25439 0.48482 1.00000
Ac4 Ac 0.99802 0.99573 0.24999 1.00000
Ac5 Ac 0.37200 0.74560 0.98469 1.00000
Ac6 Ac 0.37200 0.74561 0.51518 1.00000
P1 P 1.00000 1.00000 0.00000 1.00000
P2 P 1.00000 1.00000 0.50000 1.00000
P3 P 0.61817 0.23496 0.25006 1.00000
P4 P 0.38183 0.76504 0.74994 1.00000
Cl1 Cl 0.36430 0.72974 0.24994 1.00000
Cl2 Cl 0.63570 0.27026 0.75006 1.00000
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