Pr2SiP
Alexandria ALEXAlex-ID: agm005754751 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_434_spg63
PrSi PrP
2023-07-13 12:35:17.599778
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754751).
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 agm005754751
data_agm005754751
_cell_length_a 4.05495
_cell_length_b 4.33523
_cell_length_c 11.99466
_cell_angle_alpha 100.41140
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 207.38372
_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
Pr1 Pr 0.75000 0.68909 0.37819 1.00000
Pr2 Pr 0.25000 0.31091 0.62181 1.00000
Pr3 Pr 0.75000 0.93242 0.86483 1.00000
Pr4 Pr 0.25000 0.06758 0.13517 1.00000
Si1 Si 0.25000 0.46734 0.93468 1.00000
Si2 Si 0.75000 0.53266 0.06532 1.00000
P1 P 0.25000 0.18824 0.37648 1.00000
P2 P 0.75000 0.81176 0.62352 1.00000
获取直接链接