Ga(CuPt2)2
Alexandria ALEXAlex-ID: agm005990937 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2492_spg65
GaPt3 GaCuPt2 CuPt
2023-09-14 04:14:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990937).
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 agm005990937
data_agm005990937
_cell_length_a 3.98418
_cell_length_b 5.25866
_cell_length_c 5.25866
_cell_angle_alpha 94.75533
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 109.79711
_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
Pt1 Pt 0.00000 0.72673 0.72673 1.00000
Pt2 Pt 0.00000 0.27327 0.27327 1.00000
Pt3 Pt 0.50000 0.00000 0.50000 1.00000
Pt4 Pt 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.00000 0.78039 0.21961 1.00000
Cu2 Cu 0.00000 0.21961 0.78039 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
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