LaSm(H3Rh)2
Alexandria ALEXAlex-ID: agm007709833 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_120_spg15
SmH3Rh LaH3Rh
2024-05-14 01:04:19.047589
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007709833).
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 agm007709833
data_agm007709833
_cell_length_a 6.13653
_cell_length_b 6.13653
_cell_length_c 6.67128
_cell_angle_alpha 77.18414
_cell_angle_beta 77.18414
_cell_angle_gamma 101.83055
_cell_volume 230.16341
_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 0.40340 0.59660 0.25000 1.00000
La2 La 0.59660 0.40340 0.75000 1.00000
Sm1 Sm 0.84611 0.15389 0.25000 1.00000
Sm2 Sm 0.15389 0.84611 0.75000 1.00000
H1 H 0.42466 0.93228 0.39530 1.00000
H2 H 0.06772 0.57534 0.10470 1.00000
H3 H 0.57534 0.06772 0.60470 1.00000
H4 H 0.93228 0.42466 0.89530 1.00000
H5 H 0.16053 0.20102 0.49538 1.00000
H6 H 0.79898 0.83947 0.00462 1.00000
H7 H 0.83947 0.79898 0.50462 1.00000
H8 H 0.20102 0.16053 0.99538 1.00000
H9 H 0.55624 0.29869 0.12791 1.00000
H10 H 0.70131 0.44376 0.37209 1.00000
H11 H 0.44376 0.70131 0.87209 1.00000
H12 H 0.29869 0.55624 0.62791 1.00000
Rh1 Rh 0.06471 0.31909 0.69535 1.00000
Rh2 Rh 0.68091 0.93529 0.80465 1.00000
Rh3 Rh 0.93529 0.68091 0.30465 1.00000
Rh4 Rh 0.31909 0.06471 0.19535 1.00000
获取直接链接