LaInH2
Alexandria ALEXAlex-ID: agm007398653 · 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_7306_spg63
LaIn3 LaH3
2024-04-22 00:58:04.244831
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007398653).
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 agm007398653
data_agm007398653
_cell_length_a 4.47156
_cell_length_b 4.48515
_cell_length_c 6.69635
_cell_angle_alpha 70.48880
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 126.58723
_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 0.25000 0.15244 0.19527 1.00000
La2 La 0.75000 0.84756 0.80473 1.00000
In1 In 0.75000 0.57049 0.35909 1.00000
In2 In 0.25000 0.42951 0.64091 1.00000
H1 H 0.75000 0.25110 0.99942 1.00000
H2 H 0.25000 0.74890 0.00058 1.00000
H3 H 0.75000 0.05376 0.39157 1.00000
H4 H 0.25000 0.94624 0.60843 1.00000
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