LiZnP2
Alexandria ALEXAlex-ID: agm005520002 · 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
ABC2_9650_spg12
LiZnP Li3P7 ZnP2
2023-07-22 02:59:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005520002).
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 agm005520002
data_agm005520002
_cell_length_a 4.10643
_cell_length_b 4.10643
_cell_length_c 20.32987
_cell_angle_alpha 106.17236
_cell_angle_beta 73.82764
_cell_angle_gamma 118.84078
_cell_volume 284.14600
_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
P1 P 0.35744 0.64256 0.04083 1.00000
P2 P 0.64248 0.35752 0.95921 1.00000
P3 P 0.46156 0.53844 0.12874 1.00000
P4 P 0.53841 0.46159 0.87129 1.00000
P5 P 0.28220 0.71780 0.59841 1.00000
P6 P 0.71784 0.28216 0.40159 1.00000
P7 P 0.16615 0.83385 0.72058 1.00000
P8 P 0.83387 0.16613 0.27942 1.00000
Zn1 Zn 0.19921 0.80079 0.23548 1.00000
Zn2 Zn 0.80079 0.19921 0.76454 1.00000
Zn3 Zn 0.02129 0.97871 0.43429 1.00000
Zn4 Zn 0.97879 0.02121 0.56565 1.00000
Li1 Li 0.44921 0.55079 0.33323 1.00000
Li2 Li 0.55082 0.44918 0.66678 1.00000
Li3 Li 0.19427 0.80573 0.88399 1.00000
Li4 Li 0.80569 0.19431 0.11603 1.00000
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