Pr3Co2Ge3
Alexandria ALEXAlex-ID: agm005579367 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_161_spg63
PrCoGe PrGe
2023-06-05 14:10:38.261040
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005579367).
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 agm005579367
data_agm005579367
_cell_length_a 4.18730
_cell_length_b 5.98657
_cell_length_c 14.54264
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 110.47046
_cell_volume 341.52780
_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
Pr1 Pr 0.92416 0.84833 0.39335 1.00000
Pr2 Pr 0.07584 0.15167 0.89335 1.00000
Pr3 Pr 0.92416 0.84833 0.10665 1.00000
Pr4 Pr 0.07584 0.15167 0.60665 1.00000
Pr5 Pr 0.64355 0.28709 0.25000 1.00000
Pr6 Pr 0.35645 0.71291 0.75000 1.00000
Co1 Co 0.78328 0.56657 0.89939 1.00000
Co2 Co 0.21672 0.43343 0.39939 1.00000
Co3 Co 0.78328 0.56657 0.60061 1.00000
Co4 Co 0.21672 0.43343 0.10061 1.00000
Ge1 Ge 0.64975 0.29950 0.46021 1.00000
Ge2 Ge 0.35025 0.70050 0.96021 1.00000
Ge3 Ge 0.64975 0.29950 0.03979 1.00000
Ge4 Ge 0.35025 0.70050 0.53979 1.00000
Ge5 Ge 0.33883 0.67766 0.25000 1.00000
Ge6 Ge 0.66117 0.32234 0.75000 1.00000
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