Ce2CoSn
Alexandria ALEXAlex-ID: agm003619082 · 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
ABC2_588_spg62
Ce3CoSn Ce5Sn4 Ce2Co2Sn
2022-04-14 09:13:34.155318
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003619082).
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 agm003619082
data_agm003619082
_cell_length_a 4.63133
_cell_length_b 6.67975
_cell_length_c 12.12066
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 374.96601
_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 0.06245 0.40068 0.81075 1.00000
Ce2 Ce 0.56245 0.59932 0.18925 1.00000
Ce3 Ce 0.56245 0.09932 0.31075 1.00000
Ce4 Ce 0.06245 0.90068 0.68925 1.00000
Ce5 Ce 0.56244 0.17382 0.92772 1.00000
Ce6 Ce 0.06244 0.82618 0.07228 1.00000
Ce7 Ce 0.06244 0.32618 0.42772 1.00000
Ce8 Ce 0.56244 0.67382 0.57228 1.00000
Co1 Co 0.06244 0.90135 0.87674 1.00000
Co2 Co 0.56244 0.09865 0.12326 1.00000
Co3 Co 0.56244 0.59865 0.37674 1.00000
Co4 Co 0.06244 0.40135 0.62326 1.00000
Sn1 Sn 0.06247 0.80036 0.38006 1.00000
Sn2 Sn 0.56247 0.19964 0.61994 1.00000
Sn3 Sn 0.56247 0.69964 0.88006 1.00000
Sn4 Sn 0.06247 0.30036 0.11994 1.00000
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