H7Pb2C
Alexandria ALEXAlex-ID: agm006201467 · 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
AB2C7_1060_spg8
H6Pb Pb H4C
2024-02-06 22:41:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201467).
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 agm006201467
data_agm006201467
_cell_length_a 6.17318
_cell_length_b 9.11841
_cell_length_c 4.79694
_cell_angle_alpha 104.40001
_cell_angle_beta 50.14453
_cell_angle_gamma 110.89338
_cell_volume 193.57637
_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 0.14571 0.81305 0.12964 1.00000
Pb2 Pb 0.60591 0.72653 0.11720 1.00000
H1 H 0.31503 0.69314 0.66044 1.00000
H2 H 0.92444 0.18850 0.87350 1.00000
H3 H 0.51250 0.51008 0.07435 1.00000
H4 H 0.05333 0.33341 0.09978 1.00000
H5 H 0.36210 0.99984 0.88971 1.00000
H6 H 0.71039 0.18957 0.35902 1.00000
H7 H 0.74466 0.34025 0.14497 1.00000
C1 C 0.85831 0.26301 0.11956 1.00000
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