GaSn2N
Alexandria ALEXAlex-ID: agm002103602 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_5942_spg160
Sn GaN
2021-11-14 13:37:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002103602).
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 agm002103602
data_agm002103602
_cell_length_a 3.38296
_cell_length_b 3.38296
_cell_length_c 26.18649
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 259.53824
_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
Sn1 Sn 0.00000 0.00000 0.27797 1.00000
Sn2 Sn 0.33333 0.66667 0.94464 1.00000
Sn3 Sn 0.66667 0.33333 0.61130 1.00000
Sn4 Sn 0.00000 0.00000 0.14793 1.00000
Sn5 Sn 0.33333 0.66667 0.81460 1.00000
Sn6 Sn 0.66667 0.33333 0.48126 1.00000
Ga1 Ga 0.00000 0.00000 0.69946 1.00000
Ga2 Ga 0.33333 0.66667 0.36613 1.00000
Ga3 Ga 0.66667 0.33333 0.03280 1.00000
N1 N 0.00000 0.00000 0.77399 1.00000
N2 N 0.33333 0.66667 0.44065 1.00000
N3 N 0.66667 0.33333 0.10732 1.00000
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