LaP2
Alexandria ALEXAlex-ID: agm005514101 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_2382_spg141
LaP2
2023-04-25 04:13:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005514101).
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 agm005514101
data_agm005514101
_cell_length_a 16.52184
_cell_length_b 16.52191
_cell_length_c 16.52557
_cell_angle_alpha 166.00934
_cell_angle_beta 166.00992
_cell_angle_gamma 19.76814
_cell_volume 263.64833
_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
P1 P 0.24981 0.24973 0.00018 1.00000
P2 P 0.75028 0.75020 0.99982 1.00000
P3 P 0.99967 0.49981 0.50011 1.00000
P4 P 0.50032 0.00028 0.49993 1.00000
P5 P 0.39215 0.39184 0.00024 1.00000
P6 P 0.60819 0.60787 0.99978 1.00000
P7 P 0.14185 0.64212 0.50024 1.00000
P8 P 0.35791 0.85816 0.49978 1.00000
La1 La 0.06828 0.06774 0.00007 1.00000
La2 La 0.93233 0.93180 0.00004 1.00000
La3 La 0.81775 0.31820 0.50001 1.00000
La4 La 0.68180 0.18226 0.49999 1.00000
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