Tb4Tm5Zr
Alexandria ALEXAlex-ID: agm003661119 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_149_spg79
Tb5Tm4 TmZr5 TbTm5
2022-04-08 10:07:40.892533
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661119).
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 agm003661119
data_agm003661119
_cell_length_a 5.79968
_cell_length_b 7.90130
_cell_length_c 7.90130
_cell_angle_alpha 82.25902
_cell_angle_beta 68.46878
_cell_angle_gamma 68.46878
_cell_volume 313.30682
_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 0.43869 0.32113 0.67913 1.00000
Tb2 Tb 0.75982 0.67913 0.67887 1.00000
Tb3 Tb 0.11782 0.32087 0.32113 1.00000
Tb4 Tb 0.43896 0.67887 0.32087 1.00000
Tm1 Tm 0.78247 0.36963 0.99978 1.00000
Tm2 Tm 0.15210 0.99978 0.63037 1.00000
Tm3 Tm 0.78225 0.00022 0.36963 1.00000
Tm4 Tm 0.15188 0.63037 0.00022 1.00000
Tm5 Tm 0.67625 0.00000 0.00000 1.00000
Zr1 Zr 0.21007 0.00000 0.00000 1.00000
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