Er2Ga3Pt5
Alexandria ALEXAlex-ID: agm003345784 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_91_spg72
ErGa2Pt3 ErGaPt2
2022-01-30 13:27:47.383660
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345784).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003345784
data_agm003345784
_cell_length_a 5.67416
_cell_length_b 8.53622
_cell_length_c 8.53622
_cell_angle_alpha 83.78254
_cell_angle_beta 70.58804
_cell_angle_gamma 70.58804
_cell_volume 367.78630
_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
Er1 Er 0.13591 0.58858 0.13960 1.00000
Er2 Er 0.63591 0.13960 0.58858 1.00000
Er3 Er 0.86409 0.41142 0.86040 1.00000
Er4 Er 0.36409 0.86040 0.41142 1.00000
Ga1 Ga 0.36252 0.51779 0.75718 1.00000
Ga2 Ga 0.86252 0.75718 0.51779 1.00000
Ga3 Ga 0.63748 0.48221 0.24282 1.00000
Ga4 Ga 0.13748 0.24282 0.48221 1.00000
Ga5 Ga 0.25000 0.00000 0.00000 1.00000
Ga6 Ga 0.75000 0.00000 0.00000 1.00000
Pt1 Pt 0.40277 0.26849 0.92598 1.00000
Pt2 Pt 0.90277 0.92598 0.26849 1.00000
Pt3 Pt 0.59723 0.73151 0.07402 1.00000
Pt4 Pt 0.09723 0.07402 0.73151 1.00000
Pt5 Pt 0.47755 0.77245 0.77245 1.00000
Pt6 Pt 0.52245 0.22755 0.22755 1.00000
Pt7 Pt 0.75000 0.50000 0.50000 1.00000
Pt8 Pt 0.25000 0.50000 0.50000 1.00000
Pt9 Pt 0.02245 0.22755 0.22755 1.00000
Pt10 Pt 0.97755 0.77245 0.77245 1.00000
