Pa5(GeC)2
Alexandria ALEXAlex-ID: agm003316619 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_245_spg12
Pa5Ge3C Pa6C5 Pa7Ge
2022-01-19 08:42:45.185282
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003316619).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003316619
data_agm003316619
_cell_length_a 5.00820
_cell_length_b 7.90477
_cell_length_c 5.00746
_cell_angle_alpha 99.74049
_cell_angle_beta 90.00000
_cell_angle_gamma 108.46852
_cell_volume 185.01340
_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
Pa1 Pa 0.33015 0.66030 0.05265 1.00000
Pa2 Pa 0.66985 0.33970 0.94735 1.00000
Pa3 Pa 0.16395 0.32790 0.47725 1.00000
Pa4 Pa 0.83605 0.67210 0.52275 1.00000
Pa5 Pa 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.44452 0.88904 0.64842 1.00000
Ge2 Ge 0.55548 0.11096 0.35158 1.00000
C1 C 0.16154 0.32308 0.96538 1.00000
C2 C 0.83846 0.67692 0.03462 1.00000
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