HgSbPd6
Alexandria ALEXAlex-ID: agm003768340 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_227_spg2
HgSb2Pd9 HgPd2 SbPd5
2022-04-20 06:04:46.714070
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003768340).
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 agm003768340
data_agm003768340
_cell_length_a 6.70884
_cell_length_b 7.65253
_cell_length_c 5.34970
_cell_angle_alpha 44.33211
_cell_angle_beta 46.72948
_cell_angle_gamma 58.47701
_cell_volume 139.46373
_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
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.98030 0.47772 0.78701 1.00000
Pd2 Pd 0.74500 0.91620 0.77664 1.00000
Pd3 Pd 0.47730 0.25318 0.33528 1.00000
Pd4 Pd 0.25500 0.08380 0.22336 1.00000
Pd5 Pd 0.01970 0.52228 0.21299 1.00000
Pd6 Pd 0.52270 0.74682 0.66472 1.00000
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