La3Nd2Ho
Alexandria ALEXAlex-ID: agm005587150 · 空间群: P6_3/mcm (#193)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_727_spg193
La2Nd LaNd LaHo2
2023-08-29 16:28:02.552999
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005587150).
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 agm005587150
data_agm005587150
_cell_length_a 6.40947
_cell_length_b 6.40939
_cell_length_c 11.99223
_cell_angle_alpha 90.00005
_cell_angle_beta 89.99990
_cell_angle_gamma 119.99937
_cell_volume 426.65035
_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 0.66903 0.66908 0.75005 1.00000
La2 La 0.00003 0.33099 0.75005 1.00000
La3 La 0.33096 0.00000 0.75005 1.00000
La4 La 0.33097 0.33092 0.24995 1.00000
La5 La 0.99997 0.66901 0.24995 1.00000
La6 La 0.66904 1.00000 0.24995 1.00000
Nd1 Nd 0.66666 0.33333 0.99999 1.00000
Nd2 Nd 0.33334 0.66667 0.49998 1.00000
Nd3 Nd 0.33334 0.66667 0.00001 1.00000
Nd4 Nd 0.66666 0.33333 0.50002 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Ho2 Ho 0.00000 0.00000 0.50000 1.00000
获取直接链接