La2Mg(BO3)2
Alexandria ALEXAlex-ID: agm002200971 · 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
AB2C2D6_0_spg12
LaB6 LaBO3 MgO La2O3
2018-11-18 21:04:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002200971).
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 agm002200971
data_agm002200971
_cell_length_a 5.11974
_cell_length_b 5.12769
_cell_length_c 6.50760
_cell_angle_alpha 115.54275
_cell_angle_beta 89.99953
_cell_angle_gamma 119.94982
_cell_volume 128.39656
_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
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
B1 B 0.94960 0.89920 0.69938 1.00000
B2 B 0.05040 0.10080 0.30062 1.00000
O1 O 0.76679 0.53359 0.62597 1.00000
O2 O 0.20018 0.91698 0.19766 1.00000
O3 O 0.28322 0.08302 0.80234 1.00000
O4 O 0.79982 0.08302 0.80234 1.00000
O5 O 0.71678 0.91698 0.19766 1.00000
O6 O 0.23321 0.46641 0.37403 1.00000
La1 La 0.70995 0.41991 0.20215 1.00000
La2 La 0.29005 0.58009 0.79785 1.00000
获取直接链接