La5NdHo6
Alexandria ALEXAlex-ID: agm006117631 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_50_spg71
La2Nd LaHo2
2023-08-29 18:14:39.354062
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117631).
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 agm006117631
data_agm006117631
_cell_length_a 5.22311
_cell_length_b 9.95091
_cell_length_c 9.61547
_cell_angle_alpha 121.15976
_cell_angle_beta 105.81200
_cell_angle_gamma 89.99974
_cell_volume 405.39952
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.83382 0.58416 0.66762 1.00000
Ho2 Ho 0.83379 0.08346 0.66762 1.00000
Ho3 Ho 0.50002 0.75056 0.99999 1.00000
Ho4 Ho 0.49998 0.24944 0.00001 1.00000
Ho5 Ho 0.16621 0.91654 0.33238 1.00000
Ho6 Ho 0.16618 0.41584 0.33238 1.00000
La1 La 0.66571 0.16594 0.33191 1.00000
La2 La 0.33300 0.33302 0.66604 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
La4 La 0.66700 0.66698 0.33396 1.00000
La5 La 0.33429 0.83406 0.66809 1.00000
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