Cu2SnH8Pb
Alexandria ALEXAlex-ID: agm007616261 · 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_1153_spg2
SnH2 Cu H6Pb
2024-02-08 09:36:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007616261).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007616261
data_agm007616261
_cell_length_a 4.89135
_cell_length_b 5.31086
_cell_length_c 6.70885
_cell_angle_alpha 112.34172
_cell_angle_beta 82.65946
_cell_angle_gamma 122.72630
_cell_volume 134.92898
_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
Cu1 Cu 0.14902 0.49170 0.83110 1.00000
Cu2 Cu 0.85098 0.50830 0.16890 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.55655 0.71537 0.86858 1.00000
H2 H 0.23805 0.67424 0.10852 1.00000
H3 H 0.44345 0.28463 0.13142 1.00000
H4 H 0.16316 0.17520 0.69543 1.00000
H5 H 0.83684 0.82480 0.30457 1.00000
H6 H 0.15151 0.70142 0.70639 1.00000
H7 H 0.84849 0.29858 0.29361 1.00000
H8 H 0.76195 0.32576 0.89148 1.00000
Pb1 Pb 0.50000 0.00000 0.50000 1.00000
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