Ga2H7Pb
Alexandria ALEXAlex-ID: agm006201080 · 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_800_spg166
H6Pb Ga GaH6
2023-11-18 09:24:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201080).
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 agm006201080
data_agm006201080
_cell_length_a 6.78195
_cell_length_b 6.78207
_cell_length_c 5.10867
_cell_angle_alpha 131.42807
_cell_angle_beta 48.56926
_cell_angle_gamma 120.02353
_cell_volume 131.27466
_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
Pb1 Pb 0.97329 0.35588 0.99683 1.00000
H1 H 0.13114 0.79891 0.12385 1.00000
H2 H 0.81486 0.91309 0.87106 1.00000
H3 H 0.41614 0.51398 0.87050 1.00000
H4 H 0.13226 0.19673 0.12185 1.00000
H5 H 0.47323 0.85529 0.49680 1.00000
H6 H 0.53031 0.19767 0.12318 1.00000
H7 H 0.81464 0.51442 0.87055 1.00000
Ga1 Ga 0.29772 0.03124 0.02383 1.00000
Ga2 Ga 0.64881 0.68019 0.96970 1.00000
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