Cu2GeP
Alexandria ALEXAlex-ID: agm002178367 · 空间群: Pbcm (#57)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_883_spg14
CuGe2P3 Cu Ge
2018-05-19 21:06:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002178367).
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 agm002178367
data_agm002178367
_cell_length_a 4.94341
_cell_length_b 6.48594
_cell_length_c 15.07150
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99995
_cell_angle_gamma 90.00000
_cell_volume 483.23192
_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
P1 P 0.25015 0.06793 0.31313 1.00000
P2 P 0.74986 0.43206 0.81313 1.00000
P3 P 0.75015 0.43207 0.31313 1.00000
P4 P 0.75015 0.93207 0.18687 1.00000
P5 P 0.24986 0.56794 0.68687 1.00000
P6 P 0.25015 0.56793 0.18687 1.00000
P7 P 0.24986 0.06794 0.81313 1.00000
P8 P 0.74986 0.93206 0.68687 1.00000
Ge1 Ge 0.75002 0.40153 0.05890 1.00000
Ge2 Ge 0.74997 0.90153 0.94110 1.00000
Ge3 Ge 0.74997 0.40153 0.55890 1.00000
Ge4 Ge 0.75002 0.90153 0.44110 1.00000
Ge5 Ge 0.25002 0.09847 0.05890 1.00000
Ge6 Ge 0.24997 0.09847 0.55890 1.00000
Ge7 Ge 0.24997 0.59847 0.94110 1.00000
Ge8 Ge 0.25002 0.59847 0.44110 1.00000
Cu1 Cu 0.99990 0.75001 0.57678 1.00000
Cu2 Cu 0.49990 0.74999 0.57678 1.00000
Cu3 Cu 0.50012 0.24999 0.19797 1.00000
Cu4 Cu 0.49988 0.25001 0.69797 1.00000
Cu5 Cu 0.49991 0.24999 0.92322 1.00000
Cu6 Cu 0.49988 0.75001 0.80203 1.00000
Cu7 Cu 0.99988 0.74999 0.80203 1.00000
Cu8 Cu 0.99991 0.25001 0.92322 1.00000
Cu9 Cu 0.00009 0.74998 0.07678 1.00000
Cu10 Cu 0.00012 0.25001 0.19797 1.00000
Cu11 Cu 0.50009 0.25002 0.42322 1.00000
Cu12 Cu 0.50009 0.75002 0.07678 1.00000
Cu13 Cu 0.00012 0.75001 0.30203 1.00000
Cu14 Cu 0.50012 0.74999 0.30203 1.00000
Cu15 Cu 0.99988 0.24999 0.69797 1.00000
Cu16 Cu 0.00009 0.24998 0.42322 1.00000
