Pm5NdHo6
Alexandria ALEXAlex-ID: agm006118846 · 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
Pm3Ho5 Pm3NdHo4 Pm
2023-09-02 09:56:05.589475
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118846).
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 agm006118846
data_agm006118846
_cell_length_a 5.09534
_cell_length_b 10.08049
_cell_length_c 9.49321
_cell_angle_alpha 122.07030
_cell_angle_beta 105.56120
_cell_angle_gamma 89.99570
_cell_volume 391.94883
_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 0.83318 0.58301 0.66641 1.00000
Ho2 Ho 0.83318 0.08342 0.66642 1.00000
Ho3 Ho 0.49999 0.74962 1.00000 1.00000
Ho4 Ho 0.50001 0.25038 0.00000 1.00000
Ho5 Ho 0.16682 0.91658 0.33358 1.00000
Ho6 Ho 0.16682 0.41699 0.33359 1.00000
Pm1 Pm 0.66701 0.16701 0.33401 1.00000
Pm2 Pm 0.33336 0.33336 0.66671 1.00000
Pm3 Pm 0.00000 0.50000 0.00000 1.00000
Pm4 Pm 0.66664 0.66664 0.33329 1.00000
Pm5 Pm 0.33299 0.83299 0.66599 1.00000
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