Ce(MnCo2)4
Alexandria ALEXAlex-ID: agm005283204 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_2_spg139
Mn3Co2 CeCo2 Co
2023-05-06 13:38:33.574076
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283204).
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 agm005283204
data_agm005283204
_cell_length_a 6.34923
_cell_length_b 6.34923
_cell_length_c 6.34923
_cell_angle_alpha 97.40253
_cell_angle_beta 97.40253
_cell_angle_gamma 137.92954
_cell_volume 160.07216
_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 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.00000 0.50000 0.00000 1.00000
Mn2 Mn 0.50000 0.00000 0.00000 1.00000
Mn3 Mn 0.50000 0.50000 0.50000 1.00000
Mn4 Mn 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.00000 0.35917 0.35917 1.00000
Co2 Co 0.00000 0.64083 0.64083 1.00000
Co3 Co 0.35917 0.00000 0.35917 1.00000
Co4 Co 0.64083 0.00000 0.64083 1.00000
Co5 Co 0.50000 0.27163 0.77163 1.00000
Co6 Co 0.50000 0.72837 0.22837 1.00000
Co7 Co 0.27163 0.50000 0.77163 1.00000
Co8 Co 0.72837 0.50000 0.22837 1.00000
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