Li2PmGe2
Alexandria ALEXAlex-ID: agm040190657 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_5_spg139
LiPmGe2 Li8Ge3 Li2Pm2Ge3
2024-09-26 10:46:50.137692
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040190657).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm040190657
data_agm040190657
_cell_length_a 6.41801
_cell_length_b 6.41801
_cell_length_c 6.41801
_cell_angle_alpha 142.40075
_cell_angle_beta 142.40075
_cell_angle_gamma 54.22560
_cell_volume 97.74992
_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 0.75000 0.25000 0.50000 1.00000
Li2 Li 0.25000 0.75000 0.50000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.60849 0.60849 0.00000 1.00000
Ge2 Ge 0.39151 0.39151 0.00000 1.00000
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