Sr2Tb5Ce2
Alexandria ALEXAlex-ID: agm009739734 · 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
A2B2C5_119_spg12
Sr Tb Ce
2024-06-01 18:49:34.874848
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009739734).
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 agm009739734
data_agm009739734
_cell_length_a 8.40629
_cell_length_b 8.40629
_cell_length_c 10.89756
_cell_angle_alpha 76.84767
_cell_angle_beta 76.84767
_cell_angle_gamma 24.78324
_cell_volume 313.92649
_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
Sr1 Sr 0.67154 0.67154 0.27298 1.00000
Sr2 Sr 0.32846 0.32846 0.72702 1.00000
Tb1 Tb 0.65139 0.65139 0.95054 1.00000
Tb2 Tb 0.34861 0.34861 0.04946 1.00000
Tb3 Tb 0.65612 0.65612 0.61477 1.00000
Tb4 Tb 0.34388 0.34388 0.38523 1.00000
Tb5 Tb 0.00000 0.00000 0.50000 1.00000
Ce1 Ce 0.00763 0.00763 0.83530 1.00000
Ce2 Ce 0.99237 0.99237 0.16470 1.00000
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