Na(LiP)2
Alexandria ALEXAlex-ID: agm003399720 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1384_spg11
LiP Li3P NaP
2022-02-11 02:06:23.750560
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003399720).
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 agm003399720
data_agm003399720
_cell_length_a 3.29251
_cell_length_b 4.50144
_cell_length_c 11.67151
_cell_angle_alpha 94.84678
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 172.36499
_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
Na1 Na 0.25000 0.69826 0.26782 1.00000
Na2 Na 0.75000 0.30174 0.73218 1.00000
Li1 Li 0.25000 0.82682 0.86443 1.00000
Li2 Li 0.75000 0.17318 0.13557 1.00000
Li3 Li 0.25000 0.25429 0.51827 1.00000
Li4 Li 0.75000 0.74571 0.48173 1.00000
P1 P 0.25000 0.78254 0.64888 1.00000
P2 P 0.75000 0.21746 0.35112 1.00000
P3 P 0.25000 0.34947 0.96964 1.00000
P4 P 0.75000 0.65053 0.03036 1.00000
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