NdEr5
Alexandria ALEXAlex-ID: agm010193428 · 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
AB5_508_spg71
NdEr8 Nd2Er7
2024-05-10 05:52:00.289661
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010193428).
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 agm010193428
data_agm010193428
_cell_length_a 6.11935
_cell_length_b 6.11935
_cell_length_c 9.97733
_cell_angle_alpha 65.97014
_cell_angle_beta 65.97014
_cell_angle_gamma 33.60964
_cell_volume 187.16423
_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 0.50000 1.00000
Er1 Er 0.66654 0.66654 0.66889 1.00000
Er2 Er 0.33215 0.33215 0.83612 1.00000
Er3 Er 0.00000 0.00000 0.00000 1.00000
Er4 Er 0.66785 0.66785 0.16388 1.00000
Er5 Er 0.33346 0.33346 0.33111 1.00000
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