Pm2Ge7Au12
Alexandria ALEXAlex-ID: agm005671566 · 空间群: P-3 (#147)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7C12_16_spg147
Pm3Ge4Au7 Au Ge
2023-06-21 08:15:59.455555
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671566).
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 agm005671566
data_agm005671566
_cell_length_a 4.69737
_cell_length_b 10.19923
_cell_length_c 10.19926
_cell_angle_alpha 120.00009
_cell_angle_beta 90.00005
_cell_angle_gamma 90.00000
_cell_volume 423.17578
_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
Pm1 Pm 0.22663 0.33333 0.66667 1.00000
Pm2 Pm 0.77337 0.66667 0.33333 1.00000
Ge1 Ge 0.50000 0.00000 0.00000 1.00000
Ge2 Ge 0.33381 0.88668 0.27481 1.00000
Ge3 Ge 0.33381 0.38814 0.11332 1.00000
Ge4 Ge 0.33381 0.72518 0.61186 1.00000
Ge5 Ge 0.66619 0.11332 0.72519 1.00000
Ge6 Ge 0.66619 0.61186 0.88668 1.00000
Ge7 Ge 0.66619 0.27482 0.38814 1.00000
Au1 Au 0.22703 0.60763 0.06977 1.00000
Au2 Au 0.22703 0.46214 0.39237 1.00000
Au3 Au 0.22703 0.93023 0.53786 1.00000
Au4 Au 0.77297 0.39237 0.93023 1.00000
Au5 Au 0.77297 0.53786 0.60763 1.00000
Au6 Au 0.77297 0.06977 0.46214 1.00000
Au7 Au 0.17685 0.12718 0.26771 1.00000
Au8 Au 0.17685 0.14053 0.87282 1.00000
Au9 Au 0.17685 0.73229 0.85946 1.00000
Au10 Au 0.82315 0.87282 0.73229 1.00000
Au11 Au 0.82315 0.85947 0.12718 1.00000
Au12 Au 0.82315 0.26771 0.14054 1.00000
