TbHo5Pd6
Alexandria ALEXAlex-ID: agm006113089 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_47_spg65
HoPd TbPd
2023-09-03 03:02:48.159081
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113089).
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 agm006113089
data_agm006113089
_cell_length_a 5.00424
_cell_length_b 6.85763
_cell_length_c 7.88558
_cell_angle_alpha 89.99997
_cell_angle_beta 71.50008
_cell_angle_gamma 89.99991
_cell_volume 256.62741
_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
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.66658 0.50000 0.66683 1.00000
Ho2 Ho 0.33323 1.00000 0.33355 1.00000
Ho3 Ho 0.00000 0.50000 0.00000 1.00000
Ho4 Ho 0.66677 0.00000 0.66645 1.00000
Ho5 Ho 0.33342 0.50000 0.33317 1.00000
Pd1 Pd 0.83198 0.74925 0.33606 1.00000
Pd2 Pd 0.83196 0.25075 0.33606 1.00000
Pd3 Pd 0.50003 0.25276 0.00000 1.00000
Pd4 Pd 0.49997 0.74724 1.00000 1.00000
Pd5 Pd 0.16804 0.74925 0.66394 1.00000
Pd6 Pd 0.16802 0.25075 0.66394 1.00000
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