Nd2Ho6Ag
Alexandria ALEXAlex-ID: agm003494552 · 空间群: Pnnm (#58)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_659_spg136
NdHo2 Nd2Ho7 HoAg
2022-02-23 09:37:35.820595
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003494552).
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 agm003494552
data_agm003494552
_cell_length_a 5.44752
_cell_length_b 9.73974
_cell_length_c 10.16267
_cell_angle_alpha 89.99258
_cell_angle_beta 90.02034
_cell_angle_gamma 90.00011
_cell_volume 539.20488
_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 0.99978 0.31135 0.75219 1.00000
Nd2 Nd 0.50019 0.81115 0.74784 1.00000
Nd3 Nd 0.49981 0.18885 0.25216 1.00000
Nd4 Nd 0.00022 0.68865 0.24781 1.00000
Ho1 Ho 0.99974 0.01664 0.18434 1.00000
Ho2 Ho 0.99984 0.68681 0.57262 1.00000
Ho3 Ho 0.99991 0.63632 0.89645 1.00000
Ho4 Ho 0.50008 0.13618 0.60369 1.00000
Ho5 Ho 0.50013 0.18673 0.92742 1.00000
Ho6 Ho 0.50030 0.51676 0.31563 1.00000
Ho7 Ho 0.00026 0.98336 0.81566 1.00000
Ho8 Ho 0.00016 0.31319 0.42738 1.00000
Ho9 Ho 0.00009 0.36368 0.10355 1.00000
Ho10 Ho 0.49992 0.86382 0.39631 1.00000
Ho11 Ho 0.49987 0.81327 0.07258 1.00000
Ho12 Ho 0.49970 0.48324 0.68437 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
Ag2 Ag 0.00000 0.00000 0.50000 1.00000
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