SrP3
Alexandria ALEXAlex-ID: agm005259089 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_1914_spg12
SrP3
2023-05-07 10:22:17.228683
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259089).
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 agm005259089
data_agm005259089
_cell_length_a 6.86588
_cell_length_b 6.86588
_cell_length_c 8.63104
_cell_angle_alpha 78.58671
_cell_angle_beta 78.58671
_cell_angle_gamma 65.81215
_cell_volume 360.69277
_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
Sr1 Sr 0.04206 0.04206 0.25888 1.00000
Sr2 Sr 0.70654 0.70654 0.22417 1.00000
Sr3 Sr 0.29346 0.29346 0.77583 1.00000
Sr4 Sr 0.95794 0.95794 0.74112 1.00000
P1 P 0.36078 0.83533 0.97601 1.00000
P2 P 0.09572 0.60257 0.48734 1.00000
P3 P 0.32634 0.32634 0.16193 1.00000
P4 P 0.39743 0.90428 0.51266 1.00000
P5 P 0.41690 0.41690 0.36680 1.00000
P6 P 0.67366 0.67366 0.83807 1.00000
P7 P 0.60257 0.09572 0.48734 1.00000
P8 P 0.58310 0.58310 0.63320 1.00000
P9 P 0.63922 0.16467 0.02399 1.00000
P10 P 0.90428 0.39743 0.51266 1.00000
P11 P 0.83533 0.36078 0.97601 1.00000
P12 P 0.16467 0.63922 0.02399 1.00000
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