Ga6PdPt2
Alexandria ALEXAlex-ID: agm017496000 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_720_spg71
Ga7Pd3 Ga2Pt GaPd
2025-01-25 17:55:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017496000).
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 agm017496000
data_agm017496000
_cell_length_a 7.32840
_cell_length_b 7.32840
_cell_length_c 7.32840
_cell_angle_alpha 145.88243
_cell_angle_beta 132.19961
_cell_angle_gamma 60.02621
_cell_volume 162.01703
_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
Ga1 Ga 0.58624 0.83301 0.75324 1.00000
Ga2 Ga 0.92023 0.16699 0.75324 1.00000
Ga3 Ga 0.41376 0.16699 0.24676 1.00000
Ga4 Ga 0.74411 0.50000 0.24411 1.00000
Ga5 Ga 0.07977 0.83301 0.24676 1.00000
Ga6 Ga 0.25589 0.50000 0.75589 1.00000
Pd1 Pd 0.50000 0.00000 0.50000 1.00000
Pt1 Pt 0.83413 0.33413 0.50000 1.00000
Pt2 Pt 0.16587 0.66587 0.50000 1.00000
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