H7AuC2
Alexandria ALEXAlex-ID: agm006201255 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_800_spg166
C Au H4C
2023-10-25 13:03:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201255).
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 agm006201255
data_agm006201255
_cell_length_a 7.24781
_cell_length_b 7.29540
_cell_length_c 5.02058
_cell_angle_alpha 138.70840
_cell_angle_beta 45.78225
_cell_angle_gamma 122.23560
_cell_volume 125.52503
_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
H1 H 0.18401 0.91218 0.12835 1.00000
H2 H 0.75724 0.76324 0.77243 1.00000
H3 H 0.45061 0.65023 0.08442 1.00000
H4 H 0.17384 0.17556 0.17212 1.00000
H5 H 0.70484 0.77118 0.18419 1.00000
H6 H 0.41059 0.19924 0.22086 1.00000
H7 H 0.71579 0.43716 0.66322 1.00000
C1 C 0.21189 0.13474 0.30100 1.00000
C2 C 0.65780 0.65709 0.92407 1.00000
Au1 Au 0.96577 0.35678 0.01751 1.00000
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