Li3Zn3Ge2
Alexandria ALEXAlex-ID: agm011995466 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_51_spg189
Li2ZnGe LiZn3 LiZnGe
2024-05-29 16:05:05.446179
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011995466).
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 agm011995466
data_agm011995466
_cell_length_a 6.47719
_cell_length_b 6.47719
_cell_length_c 3.70468
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 134.60305
_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 0.00000 0.59478 0.50000 1.00000
Li2 Li 0.59478 0.00000 0.50000 1.00000
Li3 Li 0.40522 0.40522 0.50000 1.00000
Zn1 Zn 0.00000 0.23027 0.00000 1.00000
Zn2 Zn 0.23027 0.00000 0.00000 1.00000
Zn3 Zn 0.76973 0.76973 0.00000 1.00000
Ge1 Ge 0.66667 0.33333 0.00000 1.00000
Ge2 Ge 0.33333 0.66667 0.00000 1.00000
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