Tb2Ge3Ir
Alexandria ALEXAlex-ID: agm005696733 · 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
AB2C3_139_spg8
TbGe2Ir TbGe
2023-08-18 05:49:15.595540
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696733).
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 agm005696733
data_agm005696733
_cell_length_a 4.38444
_cell_length_b 5.67208
_cell_length_c 5.79547
_cell_angle_alpha 74.71683
_cell_angle_beta 67.77380
_cell_angle_gamma 67.26353
_cell_volume 121.88147
_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 0.54833 0.19078 0.71256 1.00000
Tb2 Tb 0.43588 0.81246 0.31577 1.00000
Ge1 Ge 0.86895 0.60225 0.65986 1.00000
Ge2 Ge 0.81179 0.25615 0.12026 1.00000
Ge3 Ge 0.16614 0.75517 0.91256 1.00000
Ir1 Ir 0.16891 0.38319 0.27899 1.00000
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