La2Se2O7
Alexandria ALEXAlex-ID: agm078941880 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_82_spg44
La2O3 La2(SeO3)3
2025-01-09 23:31:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078941880).
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 agm078941880
data_agm078941880
_cell_length_a 4.06406
_cell_length_b 6.83811
_cell_length_c 7.15535
_cell_angle_alpha 104.96888
_cell_angle_beta 103.42706
_cell_angle_gamma 100.33631
_cell_volume 180.68623
_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 0.84820 0.61051 0.19089 1.00000
La2 La 0.03261 0.35677 0.69161 1.00000
Se1 Se 0.36229 0.12631 0.25697 1.00000
Se2 Se 0.55320 0.83388 0.75024 1.00000
O1 O 0.39409 0.19189 0.51818 1.00000
O2 O 0.88445 0.96808 0.68997 1.00000
O3 O 0.72493 0.63762 0.83671 1.00000
O4 O 0.21987 0.44664 0.03211 1.00000
O5 O 0.27139 0.65257 0.52644 1.00000
O6 O 0.76063 0.29124 0.29011 1.00000
O7 O 0.44831 0.88449 0.21677 1.00000
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