CePaPt2
Alexandria ALEXAlex-ID: agm005677761 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_141_spg11
CePaPt2
2023-07-11 22:42:58.554281
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677761).
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 agm005677761
data_agm005677761
_cell_length_a 4.37836
_cell_length_b 7.89152
_cell_length_c 7.66510
_cell_angle_alpha 135.55931
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 185.43611
_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
Ce1 Ce 0.25000 0.21860 0.03820 1.00000
Ce2 Ce 0.75000 0.78140 0.96180 1.00000
Pa1 Pa 0.75000 0.77073 0.45344 1.00000
Pa2 Pa 0.25000 0.22927 0.54656 1.00000
Pt1 Pt 0.25000 0.69998 0.16043 1.00000
Pt2 Pt 0.75000 0.30002 0.83957 1.00000
Pt3 Pt 0.75000 0.31700 0.37107 1.00000
Pt4 Pt 0.25000 0.68300 0.62893 1.00000
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