Ce2Co3B2
Alexandria ALEXAlex-ID: agm003310322 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_21_spg12
Ce2Co5B2 CeCo CeB4
2022-01-23 04:42:59.563358
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003310322).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003310322
data_agm003310322
_cell_length_a 3.27501
_cell_length_b 5.17760
_cell_length_c 6.42438
_cell_angle_alpha 114.85384
_cell_angle_beta 90.00000
_cell_angle_gamma 108.43729
_cell_volume 92.64818
_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 0.85972 0.71943 0.20289 1.00000
Ce2 Ce 0.14028 0.28057 0.79711 1.00000
Co1 Co 0.50000 0.00000 0.00000 1.00000
Co2 Co 0.63979 0.27959 0.43486 1.00000
Co3 Co 0.36021 0.72041 0.56514 1.00000
B1 B 0.85329 0.70658 0.74585 1.00000
B2 B 0.14671 0.29342 0.25415 1.00000
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