CdSnH2F8
Alexandria ALEXAlex-ID: agm007744037 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_989_spg2
CdSnF6 HF
2024-12-19 00:29:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007744037).
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 agm007744037
data_agm007744037
_cell_length_a 5.53629
_cell_length_b 5.91753
_cell_length_c 6.24077
_cell_angle_alpha 116.41598
_cell_angle_beta 97.55310
_cell_angle_gamma 90.06468
_cell_volume 181.10895
_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
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
H1 H 0.12432 0.25558 0.51362 1.00000
H2 H 0.87568 0.74442 0.48638 1.00000
F1 F 0.65270 0.69379 0.34590 1.00000
F2 F 0.34243 0.24846 0.08179 1.00000
F3 F 0.03479 0.79191 0.60160 1.00000
F4 F 0.34730 0.30621 0.65410 1.00000
F5 F 0.65757 0.75154 0.91821 1.00000
F6 F 0.96521 0.20809 0.39840 1.00000
F7 F 0.21030 0.70958 0.07348 1.00000
F8 F 0.78970 0.29042 0.92652 1.00000
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