LiZn2Pd3
Alexandria ALEXAlex-ID: agm077645897 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2535_spg2
LiZn5Pd6 LiZnPd2
2025-01-09 17:32:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077645897).
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
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# CIF generated by HEAS from Alexandria entry agm077645897
data_agm077645897
_cell_length_a 6.76183
_cell_length_b 6.76183
_cell_length_c 7.43163
_cell_angle_alpha 57.19344
_cell_angle_beta 122.80656
_cell_angle_gamma 142.77543
_cell_volume 168.64877
_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 0.66674 0.33326 0.83361 1.00000
Li2 Li 0.33326 0.66674 0.16639 1.00000
Zn1 Zn 0.83233 0.16767 0.66893 1.00000
Zn2 Zn 0.16767 0.83233 0.33107 1.00000
Zn3 Zn 0.00000 0.00000 0.50000 1.00000
Zn4 Zn 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.08405 0.91595 0.91597 1.00000
Pd2 Pd 0.91595 0.08405 0.08403 1.00000
Pd3 Pd 0.41739 0.58261 0.58363 1.00000
Pd4 Pd 0.58261 0.41739 0.41637 1.00000
Pd5 Pd 0.75052 0.24948 0.24986 1.00000
Pd6 Pd 0.24948 0.75052 0.75014 1.00000
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