UPa2P3
Alexandria ALEXAlex-ID: agm034203850 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2914_spg15
UPa3P4 UP
2025-04-15 08:10:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034203850).
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 agm034203850
data_agm034203850
_cell_length_a 13.10937
_cell_length_b 12.50141
_cell_length_c 6.85788
_cell_angle_alpha 79.42765
_cell_angle_beta 69.62517
_cell_angle_gamma 30.94718
_cell_volume 526.13127
_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
U1 U 0.91657 0.91657 0.08343 1.00000
U2 U 0.33343 0.33343 0.16657 1.00000
U3 U 0.16657 0.16657 0.33343 1.00000
U4 U 0.08343 0.08343 0.91657 1.00000
Pa1 Pa 0.99996 0.99996 0.50004 1.00000
Pa2 Pa 0.41709 0.41709 0.58291 1.00000
Pa3 Pa 0.83291 0.83291 0.66709 1.00000
Pa4 Pa 0.25004 0.25004 0.74996 1.00000
Pa5 Pa 0.74996 0.74996 0.25004 1.00000
Pa6 Pa 0.66709 0.66709 0.83291 1.00000
Pa7 Pa 0.58291 0.58291 0.41709 1.00000
Pa8 Pa 0.50004 0.50004 0.99996 1.00000
P1 P 0.66654 0.16601 0.83537 1.00000
P2 P 0.16601 0.66654 0.33208 1.00000
P3 P 0.58346 0.08399 0.41463 1.00000
P4 P 0.08399 0.58346 0.91792 1.00000
P5 P 0.49751 0.00249 0.00249 1.00000
P6 P 0.00249 0.49751 0.49751 1.00000
P7 P 0.91792 0.41463 0.08399 1.00000
P8 P 0.41463 0.91792 0.58346 1.00000
P9 P 0.33208 0.83537 0.16601 1.00000
P10 P 0.83537 0.33208 0.66654 1.00000
P11 P 0.75249 0.24751 0.24751 1.00000
P12 P 0.24751 0.75249 0.75249 1.00000
