LiH2Pb
Alexandria ALEXAlex-ID: agm098320482 · 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
ABC2_7989_spg1
H6Pb LiH Pb
2025-04-29 16:13:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098320482).
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 agm098320482
data_agm098320482
_cell_length_a 3.32183
_cell_length_b 6.31859
_cell_length_c 7.24427
_cell_angle_alpha 96.12976
_cell_angle_beta 101.14164
_cell_angle_gamma 118.45267
_cell_volume 127.63413
_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
Li1 Li 0.69465 0.97144 0.69706 1.00000
Li2 Li 0.04425 0.94931 0.36598 1.00000
H1 H 0.40741 0.61457 0.69446 1.00000
H2 H 0.84830 0.90077 0.08166 1.00000
H3 H 0.42282 0.80365 0.40240 1.00000
H4 H 0.27271 0.08853 0.63460 1.00000
Pb1 Pb 0.09961 0.44362 0.39998 1.00000
Pb2 Pb 0.49059 0.54103 0.97163 1.00000
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