Li3Ge3Ir2
Alexandria ALEXAlex-ID: agm010063178 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_21_spg160
Li3(GeIr)2 LiGe LiGe4Ir
2024-05-04 11:29:40.249956
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010063178).
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 agm010063178
data_agm010063178
_cell_length_a 7.51888
_cell_length_b 7.51888
_cell_length_c 7.51888
_cell_angle_alpha 33.02418
_cell_angle_beta 33.02418
_cell_angle_gamma 33.02418
_cell_volume 112.35837
_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
Li1 Li 0.24937 0.24937 0.24937 1.00000
Li2 Li 0.75104 0.75104 0.75104 1.00000
Li3 Li 0.62157 0.62157 0.62157 1.00000
Ge1 Ge 0.12612 0.12612 0.12612 1.00000
Ge2 Ge 0.88307 0.88307 0.88307 1.00000
Ge3 Ge 0.36913 0.36913 0.36913 1.00000
Ir1 Ir 0.00603 0.00603 0.00603 1.00000
Ir2 Ir 0.49367 0.49367 0.49367 1.00000
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