CeMn5Co7
Alexandria ALEXAlex-ID: agm005231002 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C7_7_spg44
Mn3Co2 CeCo2 Co
2023-05-06 13:44:32.334387
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005231002).
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
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# CIF generated by HEAS from Alexandria entry agm005231002
data_agm005231002
_cell_length_a 6.33029
_cell_length_b 6.33029
_cell_length_c 6.33029
_cell_angle_alpha 137.21259
_cell_angle_beta 98.08808
_cell_angle_gamma 97.20533
_cell_volume 160.43453
_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 0.00562 0.00562 0.00000 1.00000
Mn1 Mn 0.50223 0.99962 0.00148 1.00000
Mn2 Mn 0.50223 0.50075 0.50261 1.00000
Mn3 Mn 0.99814 0.99962 0.49739 1.00000
Mn4 Mn 0.99814 0.50075 0.99852 1.00000
Mn5 Mn 0.76649 0.26649 0.50000 1.00000
Co1 Co 0.35927 0.35927 0.00000 1.00000
Co2 Co 0.64203 0.64203 0.00000 1.00000
Co3 Co 0.64180 0.99757 0.64423 1.00000
Co4 Co 0.35334 0.99757 0.35577 1.00000
Co5 Co 0.23020 0.73020 0.50000 1.00000
Co6 Co 0.22662 0.50026 0.72636 1.00000
Co7 Co 0.77390 0.50026 0.27364 1.00000
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