ScSbPd6
Alexandria ALEXAlex-ID: agm003767904 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_227_spg2
Sc4SbPd15 SbPd5 Sb7Pd20
2022-04-20 06:57:23.937063
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003767904).
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 agm003767904
data_agm003767904
_cell_length_a 7.02623
_cell_length_b 7.62123
_cell_length_c 5.18241
_cell_angle_alpha 42.74046
_cell_angle_beta 46.98314
_cell_angle_gamma 57.05407
_cell_volume 137.19207
_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
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.94868 0.44682 0.85414 1.00000
Pd2 Pd 0.75012 0.94575 0.74958 1.00000
Pd3 Pd 0.44888 0.24985 0.35303 1.00000
Pd4 Pd 0.24988 0.05425 0.25042 1.00000
Pd5 Pd 0.05132 0.55318 0.14586 1.00000
Pd6 Pd 0.55112 0.75015 0.64697 1.00000
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