Ac(PO3)4
Alexandria ALEXAlex-ID: agm003589331 · 空间群: Im-3 (#204)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_14_spg204
Ac(PO3)3 P2O5 O2
2022-04-04 01:49:56.236264
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003589331).
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 agm003589331
data_agm003589331
_cell_length_a 5.97227
_cell_length_b 5.97227
_cell_length_c 5.97227
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 163.98201
_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 0.00000 0.00000 0.00000 1.00000
P1 P 0.00000 0.50000 0.00000 1.00000
P2 P 0.50000 0.00000 0.00000 1.00000
P3 P 0.50000 0.50000 0.50000 1.00000
P4 P 0.00000 0.00000 0.50000 1.00000
O1 O 0.78668 0.28724 0.07391 1.00000
O2 O 0.28724 0.50056 0.21332 1.00000
O3 O 0.92609 0.21332 0.71276 1.00000
O4 O 0.28724 0.07391 0.78668 1.00000
O5 O 0.07391 0.78668 0.28724 1.00000
O6 O 0.71276 0.49944 0.78668 1.00000
O7 O 0.50056 0.21332 0.28724 1.00000
O8 O 0.49944 0.78668 0.71276 1.00000
O9 O 0.71276 0.92609 0.21332 1.00000
O10 O 0.78668 0.71276 0.49944 1.00000
O11 O 0.21332 0.28724 0.50056 1.00000
O12 O 0.21332 0.71276 0.92609 1.00000
获取直接链接