AgSb6Pd
Alexandria ALEXAlex-ID: agm005802414 · 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
ABC6_89_spg12
Sb2Pd Ag Sb
2023-07-25 01:25:23.476837
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802414).
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 agm005802414
data_agm005802414
_cell_length_a 8.38454
_cell_length_b 8.38454
_cell_length_c 8.47044
_cell_angle_alpha 109.20688
_cell_angle_beta 109.23167
_cell_angle_gamma 109.56565
_cell_volume 460.69572
_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
Ag1 Ag 0.00000 0.50000 0.00000 1.00000
Ag2 Ag 0.50000 0.00000 0.00000 1.00000
Sb1 Sb 0.14935 0.64177 0.79113 1.00000
Sb2 Sb 0.85065 0.35823 0.20887 1.00000
Sb3 Sb 0.84692 0.65717 0.50409 1.00000
Sb4 Sb 0.15308 0.34283 0.49591 1.00000
Sb5 Sb 0.80226 0.14556 0.64220 1.00000
Sb6 Sb 0.19774 0.85444 0.35780 1.00000
Sb7 Sb 0.49664 0.83993 0.64220 1.00000
Sb8 Sb 0.50336 0.16007 0.35780 1.00000
Sb9 Sb 0.65904 0.80204 0.15966 1.00000
Sb10 Sb 0.34096 0.19796 0.84034 1.00000
Sb11 Sb 0.64237 0.49938 0.84034 1.00000
Sb12 Sb 0.35763 0.50062 0.15966 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Pd2 Pd 0.50000 0.50000 0.50000 1.00000
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