Ba3(GaPt)4
Alexandria ALEXAlex-ID: agm005707741 · 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
A3B4C4_0_spg71
Ba(GaPt)2 BaGaPt
2023-06-29 19:47:31.507126
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707741).
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 agm005707741
data_agm005707741
_cell_length_a 4.46505
_cell_length_b 4.69724
_cell_length_c 13.37453
_cell_angle_alpha 100.11379
_cell_angle_beta 99.60900
_cell_angle_gamma 89.99999
_cell_volume 272.15227
_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
Ba1 Ba 0.34922 0.84922 0.69844 1.00000
Ba2 Ba 0.65078 0.15078 0.30156 1.00000
Ba3 Ba 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.79637 0.29637 0.59274 1.00000
Ga2 Ga 0.44635 0.44635 0.89269 1.00000
Ga3 Ga 0.55365 0.55365 0.10731 1.00000
Ga4 Ga 0.20363 0.70363 0.40726 1.00000
Pt1 Pt 0.24764 0.24764 0.49529 1.00000
Pt2 Pt 0.10183 0.60183 0.20366 1.00000
Pt3 Pt 0.89817 0.39817 0.79634 1.00000
Pt4 Pt 0.75236 0.75236 0.50471 1.00000
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