SbH7C2
Alexandria ALEXAlex-ID: agm006201346 · 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_610_spg8
H4C Sb C
2023-10-27 13:45:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201346).
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 agm006201346
data_agm006201346
_cell_length_a 8.60042
_cell_length_b 8.49771
_cell_length_c 7.12982
_cell_angle_alpha 158.15845
_cell_angle_beta 50.86975
_cell_angle_gamma 122.13801
_cell_volume 147.74228
_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 0.22944 0.91515 0.03844 1.00000
H2 H 0.67083 0.95792 0.19974 1.00000
H3 H 0.56651 0.48631 0.72735 1.00000
H4 H 0.21366 0.21534 0.16873 1.00000
H5 H 0.40452 0.74244 0.52746 1.00000
H6 H 0.42290 0.21665 0.16765 1.00000
H7 H 0.77837 0.48762 0.72412 1.00000
C1 C 0.31748 0.02260 0.97606 1.00000
C2 C 0.70783 0.60852 0.77841 1.00000
Sb1 Sb 0.92085 0.40483 0.16021 1.00000
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