YGa2Ag3
Alexandria ALEXAlex-ID: agm005669816 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_848_spg71
YGa2 Ag
2023-08-29 15:52:23.183469
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669816).
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 agm005669816
data_agm005669816
_cell_length_a 4.38755
_cell_length_b 8.23444
_cell_length_c 8.23438
_cell_angle_alpha 58.11429
_cell_angle_beta 74.55244
_cell_angle_gamma 74.55244
_cell_volume 240.59551
_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
Y1 Y 0.86688 0.13347 0.13342 1.00000
Y2 Y 0.13312 0.86653 0.86658 1.00000
Ga1 Ga 0.50000 0.15439 0.84560 1.00000
Ga2 Ga 0.50000 0.84561 0.15440 1.00000
Ga3 Ga 0.80854 0.69229 0.69229 1.00000
Ga4 Ga 0.19146 0.30771 0.30771 1.00000
Ag1 Ag 0.32710 0.47416 0.87341 1.00000
Ag2 Ag 0.00002 0.32993 0.67002 1.00000
Ag3 Ag 0.67292 0.12654 0.52584 1.00000
Ag4 Ag 0.32708 0.87346 0.47416 1.00000
Ag5 Ag 0.99998 0.67007 0.32998 1.00000
Ag6 Ag 0.67290 0.52584 0.12659 1.00000
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