LaPaPN
Alexandria ALEXAlex-ID: agm005217153 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_1526_spg166
LaP PaN
2022-07-10 15:57:52.000832
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005217153).
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 agm005217153
data_agm005217153
_cell_length_a 3.90881
_cell_length_b 3.90881
_cell_length_c 13.94567
_cell_angle_alpha 81.94382
_cell_angle_beta 81.94382
_cell_angle_gamma 60.00000
_cell_volume 182.09408
_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
La1 La 0.78978 0.78978 0.63066 1.00000
La2 La 0.21022 0.21022 0.36934 1.00000
Pa1 Pa 0.63126 0.63126 0.10621 1.00000
Pa2 Pa 0.36874 0.36874 0.89379 1.00000
P1 P 0.07895 0.07895 0.76313 1.00000
P2 P 0.92105 0.92105 0.23687 1.00000
N1 N 0.68648 0.68648 0.94056 1.00000
N2 N 0.31352 0.31352 0.05944 1.00000
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