CeNd2Co3
Alexandria ALEXAlex-ID: agm005678698 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_124_spg63
CeNdCo2 NdCo
2023-08-17 10:50:07.532346
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678698).
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 agm005678698
data_agm005678698
_cell_length_a 5.02627
_cell_length_b 7.79558
_cell_length_c 7.55971
_cell_angle_alpha 121.03376
_cell_angle_beta 90.00002
_cell_angle_gamma 90.00000
_cell_volume 253.81159
_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 0.15754 0.00001 1.00000
Ce2 Ce 0.75000 0.84246 0.99999 1.00000
Nd1 Nd 0.75000 0.50870 0.34072 1.00000
Nd2 Nd 0.25000 0.49130 0.65928 1.00000
Nd3 Nd 0.25000 0.83200 0.34070 1.00000
Nd4 Nd 0.75000 0.16800 0.65930 1.00000
Co1 Co 0.99998 0.14951 0.29901 1.00000
Co2 Co 0.49998 0.85049 0.70099 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
Co4 Co 0.50000 0.50000 0.00000 1.00000
Co5 Co 0.00002 0.85049 0.70099 1.00000
Co6 Co 0.50002 0.14951 0.29901 1.00000
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