ErPa4P5
Alexandria ALEXAlex-ID: agm006128142 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_3_spg79
Er5PaP6 PaP
2023-10-17 21:17:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006128142).
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 agm006128142
data_agm006128142
_cell_length_a 5.60587
_cell_length_b 6.86673
_cell_length_c 6.86673
_cell_angle_alpha 80.40867
_cell_angle_beta 65.90877
_cell_angle_gamma 65.90877
_cell_volume 220.28546
_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
Er1 Er 0.00103 1.00000 1.00000 1.00000
Pa1 Pa 0.40054 0.40003 0.80098 1.00000
Pa2 Pa 0.80058 0.80098 0.59997 1.00000
Pa3 Pa 0.20153 0.19902 0.40003 1.00000
Pa4 Pa 0.60156 0.59997 0.19902 1.00000
P1 P 0.90116 0.39883 0.80086 1.00000
P2 P 0.29999 0.80086 0.60117 1.00000
P3 P 0.70202 0.19914 0.39883 1.00000
P4 P 0.10085 0.60117 0.19914 1.00000
P5 P 0.50103 1.00000 1.00000 1.00000
