CeNd5Ho
Alexandria ALEXAlex-ID: agm005807746 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_831_spg2
NdHo2 Ce Nd
2023-07-14 05:46:47.896057
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807746).
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 agm005807746
data_agm005807746
_cell_length_a 6.81807
_cell_length_b 10.14464
_cell_length_c 9.62951
_cell_angle_alpha 39.24273
_cell_angle_beta 61.50344
_cell_angle_gamma 37.89154
_cell_volume 242.87659
_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
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.81087 0.37063 0.13144 1.00000
Nd2 Nd 0.34311 0.23574 0.49814 1.00000
Nd3 Nd 0.50000 0.00000 0.00000 1.00000
Nd4 Nd 0.65689 0.76426 0.50186 1.00000
Nd5 Nd 0.18913 0.62937 0.86856 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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