Ac3GaPd3
Alexandria ALEXAlex-ID: agm047807773 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_585_spg8
AcGaPd AcPd
2025-05-02 09:32:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047807773).
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 agm047807773
data_agm047807773
_cell_length_a 10.44969
_cell_length_b 10.44969
_cell_length_c 4.49249
_cell_angle_alpha 77.61072
_cell_angle_beta 102.38928
_cell_angle_gamma 156.43485
_cell_volume 191.35426
_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
Ac1 Ac 0.18422 0.81578 0.68587 1.00000
Ac2 Ac 0.82173 0.17827 0.32387 1.00000
Ac3 Ac 0.99508 0.00492 0.99646 1.00000
Ga1 Ga 0.56423 0.43577 0.56533 1.00000
Pd1 Pd 0.34665 0.65335 0.84891 1.00000
Pd2 Pd 0.63936 0.36064 0.14057 1.00000
Pd3 Pd 0.43715 0.56285 0.43899 1.00000
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