Ce5Pt4
Alexandria ALEXAlex-ID: agm007804440 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_11_spg62
CePt Ce
2024-08-08 03:31:55.959010
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007804440).
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 agm007804440
data_agm007804440
_cell_length_a 7.52321
_cell_length_b 7.72360
_cell_length_c 15.08352
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 876.44724
_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 0.66149 0.16532 0.62023 1.00000
Ce2 Ce 0.16149 0.33468 0.87977 1.00000
Ce3 Ce 0.33851 0.83468 0.12023 1.00000
Ce4 Ce 0.83851 0.66532 0.37977 1.00000
Ce5 Ce 0.33851 0.83468 0.37977 1.00000
Ce6 Ce 0.83851 0.66532 0.12023 1.00000
Ce7 Ce 0.66149 0.16532 0.87977 1.00000
Ce8 Ce 0.16149 0.33468 0.62023 1.00000
Ce9 Ce 0.50268 0.67668 0.59381 1.00000
Ce10 Ce 0.00268 0.82332 0.90619 1.00000
Ce11 Ce 0.49732 0.32332 0.09381 1.00000
Ce12 Ce 0.99732 0.17668 0.40619 1.00000
Ce13 Ce 0.49732 0.32332 0.40619 1.00000
Ce14 Ce 0.99732 0.17668 0.09381 1.00000
Ce15 Ce 0.50268 0.67668 0.90619 1.00000
Ce16 Ce 0.00268 0.82332 0.59381 1.00000
Ce17 Ce 0.81791 0.52154 0.75000 1.00000
Ce18 Ce 0.31791 0.97846 0.75000 1.00000
Ce19 Ce 0.18209 0.47846 0.25000 1.00000
Ce20 Ce 0.68209 0.02154 0.25000 1.00000
Pt1 Pt 0.68497 0.96413 0.46048 1.00000
Pt2 Pt 0.18497 0.53587 0.03952 1.00000
Pt3 Pt 0.31503 0.03587 0.96048 1.00000
Pt4 Pt 0.81503 0.46413 0.53952 1.00000
Pt5 Pt 0.31503 0.03587 0.53952 1.00000
Pt6 Pt 0.81503 0.46413 0.96048 1.00000
Pt7 Pt 0.68497 0.96413 0.03952 1.00000
Pt8 Pt 0.18497 0.53587 0.46048 1.00000
Pt9 Pt 0.45675 0.37648 0.75000 1.00000
Pt10 Pt 0.95675 0.12352 0.75000 1.00000
Pt11 Pt 0.54325 0.62352 0.25000 1.00000
Pt12 Pt 0.04325 0.87648 0.25000 1.00000
Pt13 Pt 0.68497 0.86260 0.75000 1.00000
Pt14 Pt 0.18497 0.63740 0.75000 1.00000
Pt15 Pt 0.31503 0.13740 0.25000 1.00000
Pt16 Pt 0.81503 0.36260 0.25000 1.00000
