SrPm2SeO8
Alexandria ALEXAlex-ID: agm004900569 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_311_spg2
PmO2 SrSeO4
2023-01-07 19:37:05.301884
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900569).
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 agm004900569
data_agm004900569
_cell_length_a 5.19045
_cell_length_b 4.39178
_cell_length_c 6.97318
_cell_angle_alpha 71.66304
_cell_angle_beta 90.00194
_cell_angle_gamma 90.02114
_cell_volume 150.88456
_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 0.00000 0.00000 0.50000 1.00000
Pm1 Pm 0.50008 0.35812 0.79849 1.00000
Pm2 Pm 0.49992 0.64188 0.20151 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
O1 O 0.99983 0.66271 0.24301 1.00000
O2 O 0.74104 0.82949 0.88863 1.00000
O3 O 0.74099 0.17038 0.11123 1.00000
O4 O 0.00017 0.33729 0.75699 1.00000
O5 O 0.25896 0.17051 0.11137 1.00000
O6 O 0.25901 0.82962 0.88877 1.00000
O7 O 0.49991 0.83010 0.50119 1.00000
O8 O 0.50009 0.16990 0.49881 1.00000
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