Cd3(GaSn)2
Alexandria ALEXAlex-ID: agm010034281 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_550_spg2
Cd Ga Sn
2024-03-25 14:49:24.914748
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010034281).
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 agm010034281
data_agm010034281
_cell_length_a 5.48607
_cell_length_b 5.48607
_cell_length_c 7.68371
_cell_angle_alpha 93.63843
_cell_angle_beta 93.63843
_cell_angle_gamma 45.67187
_cell_volume 165.03676
_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 0.27747 0.27747 0.85445 1.00000
Cd2 Cd 0.00000 0.00000 0.00000 1.00000
Cd3 Cd 0.72253 0.72253 0.14555 1.00000
Ga1 Ga 0.15046 0.15046 0.44335 1.00000
Ga2 Ga 0.84954 0.84954 0.55665 1.00000
Sn1 Sn 0.55647 0.55647 0.70099 1.00000
Sn2 Sn 0.44353 0.44353 0.29901 1.00000
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