Tb3Ir2Au
Alexandria ALEXAlex-ID: agm020713044 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_172_spg2
Tb2IrAu TbIr2 Tb4Ir3
2025-04-15 10:21:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020713044).
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 agm020713044
data_agm020713044
_cell_length_a 5.82115
_cell_length_b 7.16710
_cell_length_c 7.24462
_cell_angle_alpha 97.01167
_cell_angle_beta 106.55736
_cell_angle_gamma 106.34207
_cell_volume 271.20923
_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 0.42324 0.73377 0.93922 1.00000
Tb2 Tb 0.57676 0.26623 0.06078 1.00000
Tb3 Tb 0.91666 0.93852 0.70135 1.00000
Tb4 Tb 0.25403 0.61968 0.41162 1.00000
Tb5 Tb 0.74597 0.38032 0.58838 1.00000
Tb6 Tb 0.08334 0.06148 0.29865 1.00000
Ir1 Ir 0.25829 0.34015 0.67207 1.00000
Ir2 Ir 0.42911 0.00507 0.67630 1.00000
Ir3 Ir 0.57089 0.99493 0.32370 1.00000
Ir4 Ir 0.74171 0.65985 0.32793 1.00000
Au1 Au 0.07965 0.32769 0.00261 1.00000
Au2 Au 0.92035 0.67231 0.99739 1.00000
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