Pr3Ge2Cl
Alexandria ALEXAlex-ID: agm005754241 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_35_spg14
Pr3Ge2Cl
2023-08-17 07:38:56.483012
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754241).
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 agm005754241
data_agm005754241
_cell_length_a 6.04703
_cell_length_b 8.62001
_cell_length_c 12.84128
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.98904
_cell_volume 669.35762
_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
Pr1 Pr 0.25049 0.63784 0.59070 1.00000
Pr2 Pr 0.25049 0.13784 0.90930 1.00000
Pr3 Pr 0.25034 0.62276 0.91549 1.00000
Pr4 Pr 0.25034 0.12276 0.58451 1.00000
Pr5 Pr 0.24924 0.61736 0.25217 1.00000
Pr6 Pr 0.24924 0.11736 0.24783 1.00000
Pr7 Pr 0.75076 0.88264 0.75217 1.00000
Pr8 Pr 0.75076 0.38264 0.74783 1.00000
Pr9 Pr 0.74966 0.87724 0.41549 1.00000
Pr10 Pr 0.74966 0.37724 0.08451 1.00000
Pr11 Pr 0.74951 0.86216 0.09070 1.00000
Pr12 Pr 0.74951 0.36216 0.40930 1.00000
Ge1 Ge 0.25084 0.87690 0.75402 1.00000
Ge2 Ge 0.25084 0.37690 0.74598 1.00000
Ge3 Ge 0.24964 0.86819 0.41642 1.00000
Ge4 Ge 0.24964 0.36819 0.08358 1.00000
Ge5 Ge 0.75036 0.63181 0.91642 1.00000
Ge6 Ge 0.75036 0.13181 0.58358 1.00000
Ge7 Ge 0.74916 0.62310 0.25402 1.00000
Ge8 Ge 0.74916 0.12310 0.24598 1.00000
Cl1 Cl 0.24944 0.87279 0.08517 1.00000
Cl2 Cl 0.24944 0.37279 0.41483 1.00000
Cl3 Cl 0.75056 0.62721 0.58517 1.00000
Cl4 Cl 0.75056 0.12721 0.91483 1.00000
