Pm2Nd3DyHo6
Alexandria ALEXAlex-ID: agm017117280 · 空间群: P-31m (#162)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_48_spg12
PmNdHo4 PmNd3Ho4 Pm3NdHo4 PmNd3Dy4
2024-12-08 18:27:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017117280).
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 agm017117280
data_agm017117280
_cell_length_a 6.23305
_cell_length_b 6.23305
_cell_length_c 11.57223
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 389.35794
_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
Pm1 Pm 0.33333 0.66667 0.00000 1.00000
Pm2 Pm 0.66667 0.33333 0.00000 1.00000
Nd1 Nd 0.66667 0.33333 0.50000 1.00000
Nd2 Nd 0.33333 0.66667 0.50000 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.00000 0.66717 0.24858 1.00000
Ho2 Ho 0.66717 0.66717 0.75142 1.00000
Ho3 Ho 0.00000 0.33283 0.75142 1.00000
Ho4 Ho 0.66717 0.00000 0.24858 1.00000
Ho5 Ho 0.33283 0.33283 0.24858 1.00000
Ho6 Ho 0.33283 0.00000 0.75142 1.00000
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