LaZn2GaNi4
Alexandria ALEXAlex-ID: agm004800328 · 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
ABC2D4_337_spg166
LaZn3Ni2 LaGa4Ni9 LaGaNi4 ZnNi
2023-01-27 12:44:30.376262
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004800328).
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 agm004800328
data_agm004800328
_cell_length_a 4.08007
_cell_length_b 4.08007
_cell_length_c 8.79936
_cell_angle_alpha 76.59462
_cell_angle_beta 76.59462
_cell_angle_gamma 60.00000
_cell_volume 122.22761
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.76318 0.76318 0.71045 1.00000
Zn2 Zn 0.23682 0.23682 0.28955 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.40678 0.40678 0.77967 1.00000
Ni2 Ni 0.86726 0.86726 0.39821 1.00000
Ni3 Ni 0.13274 0.13274 0.60179 1.00000
Ni4 Ni 0.59322 0.59322 0.22033 1.00000
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