La3Nd2HoSb6
Alexandria ALEXAlex-ID: agm034184940 · 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
AB2C3D6_166_spg12
La5NdSb6 LaNd3Sb4 HoSb
2024-12-04 10:12:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034184940).
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 agm034184940
data_agm034184940
_cell_length_a 10.16952
_cell_length_b 10.16952
_cell_length_c 9.09661
_cell_angle_alpha 77.13278
_cell_angle_beta 102.86722
_cell_angle_gamma 154.12642
_cell_volume 399.67645
_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 0.50000 0.50000 0.00000 1.00000
La2 La 0.83250 0.16750 0.66594 1.00000
La3 La 0.16750 0.83250 0.33406 1.00000
Nd1 Nd 0.83407 0.16593 0.16752 1.00000
Nd2 Nd 0.16593 0.83407 0.83248 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.33716 0.66284 0.41582 1.00000
Sb2 Sb 0.66778 0.33222 0.08092 1.00000
Sb3 Sb 0.66284 0.33716 0.58418 1.00000
Sb4 Sb 0.00040 0.99960 0.74038 1.00000
Sb5 Sb 0.99960 0.00040 0.25962 1.00000
Sb6 Sb 0.33222 0.66778 0.91908 1.00000
获取直接链接