Ho6PdS5
Alexandria ALEXAlex-ID: agm006124445 · 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
AB5C6_83_spg12
HoPd HoS
2023-09-09 09:54:51.291278
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124445).
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
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# CIF generated by HEAS from Alexandria entry agm006124445
data_agm006124445
_cell_length_a 6.79153
_cell_length_b 6.79153
_cell_length_c 6.78020
_cell_angle_alpha 99.66670
_cell_angle_beta 99.66671
_cell_angle_gamma 119.97722
_cell_volume 255.17741
_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
S1 S 0.83157 0.16843 0.50000 1.00000
S2 S 0.66550 0.33450 1.00000 1.00000
S3 S 0.50000 0.50000 0.50000 1.00000
S4 S 0.33450 0.66550 0.00000 1.00000
S5 S 0.16843 0.83157 0.50000 1.00000
Ho1 Ho 0.42138 0.08180 0.25019 1.00000
Ho2 Ho 0.91820 0.57862 0.74981 1.00000
Ho3 Ho 0.25372 0.25372 0.74596 1.00000
Ho4 Ho 0.74628 0.74628 0.25404 1.00000
Ho5 Ho 0.08180 0.42138 0.25019 1.00000
Ho6 Ho 0.57862 0.91820 0.74981 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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