V(P4Rh)4
Alexandria ALEXAlex-ID: agm008244116 · 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
AB4C16_5_spg15
VP2 P3Rh P
2024-11-13 10:49:15.910644
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008244116).
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 agm008244116
data_agm008244116
_cell_length_a 10.47394
_cell_length_b 10.47394
_cell_length_c 11.32519
_cell_angle_alpha 79.76290
_cell_angle_beta 79.76290
_cell_angle_gamma 32.20365
_cell_volume 650.69185
_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
V1 V 0.38654 0.61346 0.75000 1.00000
V2 V 0.61346 0.38654 0.25000 1.00000
P1 P 0.73879 0.26789 0.89234 1.00000
P2 P 0.73211 0.26121 0.60766 1.00000
P3 P 0.26121 0.73211 0.10766 1.00000
P4 P 0.26789 0.73879 0.39234 1.00000
P5 P 0.37860 0.38265 0.83560 1.00000
P6 P 0.61735 0.62140 0.66440 1.00000
P7 P 0.62140 0.61735 0.16440 1.00000
P8 P 0.38265 0.37860 0.33560 1.00000
P9 P 0.72067 0.99931 0.78258 1.00000
P10 P 0.00069 0.27933 0.71742 1.00000
P11 P 0.01984 0.10295 0.13495 1.00000
P12 P 0.89705 0.98016 0.36505 1.00000
P13 P 0.98016 0.89705 0.86505 1.00000
P14 P 0.10295 0.01984 0.63495 1.00000
P15 P 0.77858 0.34389 0.42061 1.00000
P16 P 0.65611 0.22142 0.07939 1.00000
P17 P 0.22142 0.65611 0.57939 1.00000
P18 P 0.34389 0.77858 0.92061 1.00000
P19 P 0.60702 0.67124 0.46151 1.00000
P20 P 0.32876 0.39298 0.03849 1.00000
P21 P 0.39298 0.32876 0.53849 1.00000
P22 P 0.67124 0.60702 0.96151 1.00000
P23 P 0.15765 0.27239 0.44051 1.00000
P24 P 0.72761 0.84235 0.05949 1.00000
P25 P 0.84235 0.72761 0.55949 1.00000
P26 P 0.27239 0.15765 0.94051 1.00000
P27 P 0.88445 0.55422 0.18755 1.00000
P28 P 0.44578 0.11555 0.31245 1.00000
P29 P 0.11555 0.44578 0.81245 1.00000
P30 P 0.55422 0.88445 0.68755 1.00000
P31 P 0.99931 0.72067 0.28258 1.00000
P32 P 0.27933 0.00069 0.21742 1.00000
Rh1 Rh 0.68667 0.81089 0.87427 1.00000
Rh2 Rh 0.18911 0.31333 0.62573 1.00000
Rh3 Rh 0.31333 0.18911 0.12573 1.00000
Rh4 Rh 0.81089 0.68667 0.37427 1.00000
Rh5 Rh 0.20047 0.00974 0.42686 1.00000
Rh6 Rh 0.99026 0.79953 0.07314 1.00000
Rh7 Rh 0.79953 0.99026 0.57314 1.00000
Rh8 Rh 0.00974 0.20047 0.92686 1.00000
