Co2Ge4Pd
Alexandria ALEXAlex-ID: agm012196995 · 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
AB2C4_22_spg12
Co5Ge7 GePd Ge
2025-06-22 10:14:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012196995).
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}
}
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# CIF generated by HEAS from Alexandria entry agm012196995
data_agm012196995
_cell_length_a 6.32673
_cell_length_b 6.32673
_cell_length_c 5.99747
_cell_angle_alpha 65.97328
_cell_angle_beta 114.02672
_cell_angle_gamma 150.51228
_cell_volume 107.18437
_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
Co1 Co 0.74993 0.25007 0.19305 1.00000
Co2 Co 0.25007 0.74993 0.80695 1.00000
Ge1 Ge 0.89831 0.10169 0.02143 1.00000
Ge2 Ge 0.10169 0.89831 0.97857 1.00000
Ge3 Ge 0.65608 0.34392 0.47571 1.00000
Ge4 Ge 0.34392 0.65608 0.52429 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
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