Ce3AlOs2
Alexandria ALEXAlex-ID: agm036084716 · 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
AB2C3_1924_spg62
Ce2AlOs2 Ce7Os3 CeAlOs
2025-04-13 13:49:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036084716).
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 agm036084716
data_agm036084716
_cell_length_a 4.17845
_cell_length_b 10.40874
_cell_length_c 11.72003
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 509.73177
_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 0.36773 0.94604 1.00000
Ce2 Ce 0.75000 0.63227 0.05396 1.00000
Ce3 Ce 0.75000 0.86773 0.55396 1.00000
Ce4 Ce 0.25000 0.13227 0.44604 1.00000
Ce5 Ce 0.25000 0.66515 0.76519 1.00000
Ce6 Ce 0.75000 0.33485 0.23481 1.00000
Ce7 Ce 0.75000 0.16515 0.73481 1.00000
Ce8 Ce 0.25000 0.83485 0.26519 1.00000
Ce9 Ce 0.25000 0.35248 0.66216 1.00000
Ce10 Ce 0.75000 0.64752 0.33784 1.00000
Ce11 Ce 0.75000 0.85248 0.83784 1.00000
Ce12 Ce 0.25000 0.14752 0.16216 1.00000
Al1 Al 0.25000 0.05443 0.91263 1.00000
Al2 Al 0.75000 0.94557 0.08737 1.00000
Al3 Al 0.75000 0.55443 0.58737 1.00000
Al4 Al 0.25000 0.44557 0.41263 1.00000
Os1 Os 0.25000 0.67665 0.50690 1.00000
Os2 Os 0.75000 0.32335 0.49310 1.00000
Os3 Os 0.75000 0.17665 0.99310 1.00000
Os4 Os 0.25000 0.82335 0.00690 1.00000
Os5 Os 0.25000 0.99121 0.68644 1.00000
Os6 Os 0.75000 0.00879 0.31356 1.00000
Os7 Os 0.75000 0.49121 0.81356 1.00000
Os8 Os 0.25000 0.50879 0.18644 1.00000
