CeNd2ErSb4
Alexandria ALEXAlex-ID: agm020278730 · 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
ABC2D4_12_spg121
CeNd2Sb3 ErSb
2025-07-01 10:16:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020278730).
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 agm020278730
data_agm020278730
_cell_length_a 7.75365
_cell_length_b 7.75365
_cell_length_c 7.75365
_cell_angle_alpha 131.76936
_cell_angle_beta 131.76936
_cell_angle_gamma 70.59354
_cell_volume 254.03963
_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
Nd1 Nd 0.75000 0.25000 0.50000 1.00000
Nd2 Nd 0.25000 0.75000 0.50000 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.50000 0.00000 0.50000 1.00000
Sb2 Sb 0.00000 0.50000 0.50000 1.00000
Sb3 Sb 0.25225 0.25225 0.00000 1.00000
Sb4 Sb 0.74775 0.74775 0.00000 1.00000
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