Li15P4
Alexandria ALEXAlex-ID: agm073023964 · 空间群: I-43d (#220)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B15_2_spg220
Li3P Li
2024-10-20 09:42:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073023964).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm073023964
data_agm073023964
_cell_length_a 8.83876
_cell_length_b 8.83876
_cell_length_c 8.83876
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 531.56031
_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 0.89486 0.91978 0.73018 1.00000
Li2 Li 0.25000 0.12500 0.87500 1.00000
Li3 Li 0.58022 0.47508 0.81041 1.00000
Li4 Li 0.47508 0.81041 0.58022 1.00000
Li5 Li 0.16467 0.76982 0.68959 1.00000
Li6 Li 0.52492 0.83533 0.10514 1.00000
Li7 Li 0.60514 0.33533 0.02492 1.00000
Li8 Li 0.31041 0.97508 0.08022 1.00000
Li9 Li 0.83533 0.10514 0.52492 1.00000
Li10 Li 0.33533 0.02492 0.60514 1.00000
Li11 Li 0.73018 0.89486 0.91978 1.00000
Li12 Li 0.39486 0.23018 0.41978 1.00000
Li13 Li 0.12500 0.87500 0.25000 1.00000
Li14 Li 0.91978 0.73018 0.89486 1.00000
Li15 Li 0.37500 0.62500 0.75000 1.00000
Li16 Li 0.18959 0.26982 0.66467 1.00000
Li17 Li 0.26982 0.66467 0.18959 1.00000
Li18 Li 0.66467 0.18959 0.26982 1.00000
Li19 Li 0.41978 0.39486 0.23018 1.00000
Li20 Li 0.87500 0.25000 0.12500 1.00000
Li21 Li 0.76982 0.68959 0.16467 1.00000
Li22 Li 0.68959 0.16467 0.76982 1.00000
Li23 Li 0.08022 0.31041 0.97508 1.00000
Li24 Li 0.02492 0.60514 0.33533 1.00000
Li25 Li 0.23018 0.41978 0.39486 1.00000
Li26 Li 0.81041 0.58022 0.47508 1.00000
Li27 Li 0.10514 0.52492 0.83533 1.00000
Li28 Li 0.75000 0.37500 0.62500 1.00000
Li29 Li 0.97508 0.08022 0.31041 1.00000
Li30 Li 0.62500 0.75000 0.37500 1.00000
P1 P 0.59825 0.59825 0.59825 1.00000
P2 P 0.90175 0.50000 0.00000 1.00000
P3 P 0.09825 0.09825 0.09825 1.00000
P4 P 0.00000 0.40175 0.50000 1.00000
P5 P 0.00000 0.90175 0.50000 1.00000
P6 P 0.40175 0.50000 0.00000 1.00000
P7 P 0.50000 0.00000 0.40175 1.00000
P8 P 0.50000 0.00000 0.90175 1.00000
