Cd2SnH7
Alexandria ALEXAlex-ID: agm006197166 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_815_spg166
Cd Sn CdH4
2024-01-02 00:35:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197166).
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
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# CIF generated by HEAS from Alexandria entry agm006197166
data_agm006197166
_cell_length_a 6.02734
_cell_length_b 6.02662
_cell_length_c 5.28449
_cell_angle_alpha 124.80663
_cell_angle_beta 55.09258
_cell_angle_gamma 119.94672
_cell_volume 124.93849
_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 0.06553 0.76433 0.21998 1.00000
H2 H 0.88096 0.94704 0.77352 1.00000
H3 H 0.38260 0.44876 0.77384 1.00000
H4 H 0.06483 0.26350 0.22079 1.00000
H5 H 0.47325 0.85579 0.49690 1.00000
H6 H 0.56392 0.26268 0.21980 1.00000
H7 H 0.88156 0.44796 0.77281 1.00000
Sn1 Sn 0.97330 0.35567 0.99663 1.00000
Cd1 Cd 0.30842 0.02051 0.99131 1.00000
Cd2 Cd 0.63802 0.69115 0.00259 1.00000
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