Y2GaSnGe
Alexandria ALEXAlex-ID: agm005000545 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1564_spg11
YGa2 YSn2 YGe
2022-08-04 05:28:47.521083
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005000545).
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 agm005000545
data_agm005000545
_cell_length_a 4.25216
_cell_length_b 6.36872
_cell_length_c 8.68524
_cell_angle_alpha 90.02391
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 235.20304
_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 0.75000 0.75302 0.53292 1.00000
Y2 Y 0.75000 0.75265 0.96706 1.00000
Y3 Y 0.25000 0.24698 0.46708 1.00000
Y4 Y 0.25000 0.24735 0.03294 1.00000
Ga1 Ga 0.25000 0.55143 0.74980 1.00000
Ga2 Ga 0.75000 0.44857 0.25020 1.00000
Sn1 Sn 0.25000 0.73054 0.24999 1.00000
Sn2 Sn 0.75000 0.26946 0.75001 1.00000
Ge1 Ge 0.25000 0.94603 0.75014 1.00000
Ge2 Ge 0.75000 0.05397 0.24986 1.00000
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