TbCe(NdSb2)2
Alexandria ALEXAlex-ID: agm030633367 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_74_spg74
Tb5CeSb6 CeNd5Sb6 CeNd2Sb3
2025-01-06 22:56:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030633367).
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 agm030633367
data_agm030633367
_cell_length_a 8.97225
_cell_length_b 8.97225
_cell_length_c 8.97225
_cell_angle_alpha 119.92533
_cell_angle_beta 119.99266
_cell_angle_gamma 90.07105
_cell_volume 511.04285
_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
Tb1 Tb 0.50000 0.00000 0.00000 1.00000
Tb2 Tb 0.50000 0.50000 0.50000 1.00000
Ce1 Ce 0.00000 0.50000 0.50000 1.00000
Ce2 Ce 0.50000 0.50000 0.00000 1.00000
Nd1 Nd 0.50000 0.00000 0.50000 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Nd4 Nd 0.00000 0.00000 0.50000 1.00000
Sb1 Sb 0.74737 0.74500 0.49763 1.00000
Sb2 Sb 0.74737 0.24975 0.00237 1.00000
Sb3 Sb 0.25263 0.75025 0.99763 1.00000
Sb4 Sb 0.25263 0.25500 0.50237 1.00000
Sb5 Sb 0.74630 0.25158 0.49471 1.00000
Sb6 Sb 0.25687 0.25158 0.00529 1.00000
Sb7 Sb 0.74313 0.74842 0.99471 1.00000
Sb8 Sb 0.25370 0.74842 0.50529 1.00000
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