Pa2CoGeC
Alexandria ALEXAlex-ID: agm005000699 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1539_spg11
PaCoGe PaC
2022-07-04 00:37:22.643713
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005000699).
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 agm005000699
data_agm005000699
_cell_length_a 3.95625
_cell_length_b 6.20412
_cell_length_c 7.63767
_cell_angle_alpha 108.03702
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 178.25433
_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 0.75000 0.76789 0.61739 1.00000
Pa2 Pa 0.75000 0.76621 0.02550 1.00000
Pa3 Pa 0.25000 0.23211 0.38261 1.00000
Pa4 Pa 0.25000 0.23379 0.97450 1.00000
Co1 Co 0.25000 0.52206 0.74791 1.00000
Co2 Co 0.75000 0.47794 0.25209 1.00000
Ge1 Ge 0.25000 0.71685 0.31050 1.00000
Ge2 Ge 0.75000 0.28315 0.68950 1.00000
C1 C 0.25000 0.84771 0.83479 1.00000
C2 C 0.75000 0.15229 0.16521 1.00000
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