Ga(AgSb2)4
Alexandria ALEXAlex-ID: agm097604669 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_360_spg1
Sb Ag GaSb
2025-06-15 12:45:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097604669).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097604669
data_agm097604669
_cell_length_a 4.99102
_cell_length_b 8.26440
_cell_length_c 9.55100
_cell_angle_alpha 117.25259
_cell_angle_beta 88.52311
_cell_angle_gamma 89.19662
_cell_volume 349.96238
_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
Ga1 Ga 0.43784 0.00254 0.03745 1.00000
Ag1 Ag 0.94825 0.07328 0.97661 1.00000
Ag2 Ag 0.98908 0.96938 0.47330 1.00000
Ag3 Ag 0.01264 0.46988 0.98319 1.00000
Ag4 Ag 0.03505 0.52088 0.50410 1.00000
Sb1 Sb 0.38921 0.19266 0.39713 1.00000
Sb2 Sb 0.27891 0.12072 0.74761 1.00000
Sb3 Sb 0.30139 0.62609 0.26065 1.00000
Sb4 Sb 0.28980 0.64242 0.78796 1.00000
Sb5 Sb 0.71942 0.36533 0.24294 1.00000
Sb6 Sb 0.69086 0.34637 0.70101 1.00000
Sb7 Sb 0.71393 0.82768 0.19174 1.00000
Sb8 Sb 0.69361 0.84278 0.69632 1.00000
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