Tb5Er2
Alexandria ALEXAlex-ID: agm017236887 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5_20_spg71
Tb5Er4 Tb5Er
2024-11-13 22:17:13.103898
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017236887).
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 agm017236887
data_agm017236887
_cell_length_a 12.74364
_cell_length_b 12.74364
_cell_length_c 12.74364
_cell_angle_alpha 164.05592
_cell_angle_beta 157.34618
_cell_angle_gamma 27.82479
_cell_volume 218.88213
_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 0.78580 0.28580 0.50000 1.00000
Tb2 Tb 0.21420 0.71420 0.50000 1.00000
Tb3 Tb 0.50000 0.00000 0.50000 1.00000
Tb4 Tb 0.64209 0.14209 0.50000 1.00000
Tb5 Tb 0.35791 0.85791 0.50000 1.00000
Er1 Er 0.92890 0.42890 0.50000 1.00000
Er2 Er 0.07110 0.57110 0.50000 1.00000
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