Ca3Ge4Au7
Alexandria ALEXAlex-ID: agm005693677 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C7_31_spg12
Ca3Ge3Au8 CaGeAu Ge
2023-06-29 16:20:12.814968
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693677).
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 agm005693677
data_agm005693677
_cell_length_a 4.43264
_cell_length_b 8.52690
_cell_length_c 8.64392
_cell_angle_alpha 69.28886
_cell_angle_beta 75.14333
_cell_angle_gamma 74.93464
_cell_volume 290.16019
_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
Ca1 Ca 0.32218 0.18372 0.17192 1.00000
Ca2 Ca 0.67782 0.81628 0.82808 1.00000
Ca3 Ca 0.00000 0.50000 0.50000 1.00000
Ge1 Ge 0.67908 0.44345 0.19840 1.00000
Ge2 Ge 0.32092 0.55655 0.80160 1.00000
Ge3 Ge 0.88355 0.90066 0.33224 1.00000
Ge4 Ge 0.11645 0.09934 0.66776 1.00000
Au1 Au 0.30963 0.83461 0.54614 1.00000
Au2 Au 0.49740 0.24307 0.76213 1.00000
Au3 Au 0.85758 0.38679 0.89805 1.00000
Au4 Au 0.69037 0.16539 0.45386 1.00000
Au5 Au 0.14242 0.61321 0.10195 1.00000
Au6 Au 0.00000 0.00000 0.00000 1.00000
Au7 Au 0.50260 0.75693 0.23787 1.00000
获取直接链接