Ac3P2I
Alexandria ALEXAlex-ID: agm005805567 · 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_230_spg63
Ac6P5I Ac2PI2 Ac
2023-08-24 07:01:41.228680
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805567).
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 agm005805567
data_agm005805567
_cell_length_a 5.10360
_cell_length_b 7.59976
_cell_length_c 11.39585
_cell_angle_alpha 89.99602
_cell_angle_beta 90.00024
_cell_angle_gamma 109.71687
_cell_volume 416.08684
_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 0.62135 0.24364 0.04363 1.00000
Ac2 Ac 0.08360 0.16737 0.74999 1.00000
Ac3 Ac 0.62134 0.24365 0.45636 1.00000
Ac4 Ac 0.91640 0.83263 0.25001 1.00000
Ac5 Ac 0.37865 0.75636 0.95637 1.00000
Ac6 Ac 0.37866 0.75635 0.54364 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.00000 0.00000 0.50000 1.00000
P3 P 0.50720 0.01303 0.25001 1.00000
P4 P 0.49280 0.98697 0.74999 1.00000
I1 I 0.23744 0.47369 0.24999 1.00000
I2 I 0.76256 0.52631 0.75001 1.00000
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