Li2Ce(GaNi)2
Alexandria ALEXAlex-ID: agm024383917 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_65_spg2
CeGaNi4 Li2Ga CeGaNi
2025-05-19 10:34:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024383917).
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 agm024383917
data_agm024383917
_cell_length_a 4.19893
_cell_length_b 4.19893
_cell_length_c 7.68569
_cell_angle_alpha 74.40738
_cell_angle_beta 105.59262
_cell_angle_gamma 119.71122
_cell_volume 111.86215
_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 0.14606 0.85394 0.93748 1.00000
Li2 Li 0.85394 0.14606 0.06252 1.00000
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.56996 0.43004 0.21305 1.00000
Ga2 Ga 0.43004 0.56996 0.78695 1.00000
Ni1 Ni 0.74199 0.25801 0.71881 1.00000
Ni2 Ni 0.25801 0.74199 0.28119 1.00000
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