LiP4WO12
Alexandria ALEXAlex-ID: agm005258908 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4D12_2_spg15
P3WO9 LiPO3
2024-10-15 22:58:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258908).
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 agm005258908
data_agm005258908
_cell_length_a 7.44628
_cell_length_b 7.44628
_cell_length_c 10.16476
_cell_angle_alpha 66.14369
_cell_angle_beta 66.14369
_cell_angle_gamma 69.73922
_cell_volume 460.02889
_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 0.00000 0.50000 0.00000 1.00000
Li2 Li 0.50000 0.00000 0.50000 1.00000
P1 P 0.70736 0.68773 0.30538 1.00000
P2 P 0.26538 0.72820 0.47240 1.00000
P3 P 0.27180 0.73462 0.02760 1.00000
P4 P 0.68773 0.70736 0.80538 1.00000
P5 P 0.31227 0.29264 0.19462 1.00000
P6 P 0.72820 0.26538 0.97240 1.00000
P7 P 0.73462 0.27180 0.52760 1.00000
P8 P 0.29264 0.31227 0.69462 1.00000
W1 W 0.05284 0.94716 0.75000 1.00000
W2 W 0.94716 0.05284 0.25000 1.00000
O1 O 0.82036 0.63466 0.16454 1.00000
O2 O 0.28338 0.80465 0.58314 1.00000
O3 O 0.46812 0.72537 0.33330 1.00000
O4 O 0.09157 0.83291 0.41164 1.00000
O5 O 0.86659 0.73431 0.82596 1.00000
O6 O 0.25749 0.49533 0.54517 1.00000
O7 O 0.80465 0.28338 0.08314 1.00000
O8 O 0.16709 0.90843 0.08836 1.00000
O9 O 0.50467 0.74251 0.95483 1.00000
O10 O 0.63466 0.82036 0.66454 1.00000
O11 O 0.27463 0.53188 0.16670 1.00000
O12 O 0.26569 0.13341 0.67404 1.00000
O13 O 0.73431 0.86659 0.32596 1.00000
O14 O 0.72537 0.46812 0.83330 1.00000
O15 O 0.36534 0.17964 0.33546 1.00000
O16 O 0.49533 0.25749 0.04517 1.00000
O17 O 0.83291 0.09157 0.91164 1.00000
O18 O 0.19535 0.71662 0.91686 1.00000
O19 O 0.74251 0.50467 0.45483 1.00000
O20 O 0.13341 0.26569 0.17404 1.00000
O21 O 0.90843 0.16709 0.58836 1.00000
O22 O 0.53188 0.27463 0.66670 1.00000
O23 O 0.71662 0.19535 0.41686 1.00000
O24 O 0.17964 0.36534 0.83546 1.00000
