Cd4Ga3Sn4
Alexandria ALEXAlex-ID: agm009586248 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_133_spg12
Cd Ga Sn
2024-03-25 20:16:12.922825
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009586248).
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 agm009586248
data_agm009586248
_cell_length_a 3.29613
_cell_length_b 3.17977
_cell_length_c 25.79687
_cell_angle_alpha 92.74371
_cell_angle_beta 92.01881
_cell_angle_gamma 80.21609
_cell_volume 266.03638
_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
Cd1 Cd 0.30328 0.29670 0.45511 1.00000
Cd2 Cd 0.08203 0.08793 0.81281 1.00000
Cd3 Cd 0.91797 0.91207 0.18719 1.00000
Cd4 Cd 0.69672 0.70330 0.54489 1.00000
Ga1 Ga 0.37160 0.37171 0.26920 1.00000
Ga2 Ga 0.62840 0.62829 0.73080 1.00000
Ga3 Ga 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.91592 0.93036 0.35681 1.00000
Sn2 Sn 0.50246 0.53371 0.08822 1.00000
Sn3 Sn 0.49754 0.46629 0.91178 1.00000
Sn4 Sn 0.08408 0.06964 0.64319 1.00000
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