Tb2(TmZr3)3
Alexandria ALEXAlex-ID: agm012007332 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_1598_spg8
Tb5Tm4 TmZr5 Tb5Tm
2024-07-14 21:02:53.226837
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012007332).
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 agm012007332
data_agm012007332
_cell_length_a 10.32374
_cell_length_b 10.32374
_cell_length_c 12.81070
_cell_angle_alpha 56.25808
_cell_angle_beta 56.25808
_cell_angle_gamma 18.52882
_cell_volume 358.64871
_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 0.54935 0.54935 0.87488 1.00000
Tb2 Tb 0.45695 0.45695 0.19537 1.00000
Tm1 Tm 0.87635 0.87635 0.03849 1.00000
Tm2 Tm 0.25879 0.25879 0.31404 1.00000
Tm3 Tm 0.73868 0.73868 0.76257 1.00000
Zr1 Zr 0.02518 0.02518 0.34221 1.00000
Zr2 Zr 0.16768 0.16768 0.60989 1.00000
Zr3 Zr 0.83153 0.83153 0.46238 1.00000
Zr4 Zr 0.12460 0.12460 0.03371 1.00000
Zr5 Zr 0.97470 0.97470 0.72764 1.00000
Zr6 Zr 0.40648 0.40648 0.59359 1.00000
Zr7 Zr 0.59306 0.59306 0.47709 1.00000
Zr8 Zr 0.31007 0.31007 0.90103 1.00000
Zr9 Zr 0.68653 0.68653 0.16711 1.00000
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