PuMn2(CoGe)2
Alexandria ALEXAlex-ID: agm024222377 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_74_spg12
Pu(CoGe)2 Mn
2025-05-06 09:37:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024222377).
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 agm024222377
data_agm024222377
_cell_length_a 7.94269
_cell_length_b 7.94269
_cell_length_c 7.94269
_cell_angle_alpha 29.35417
_cell_angle_beta 29.35417
_cell_angle_gamma 29.35417
_cell_volume 106.55549
_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
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.85842 0.85842 0.85842 1.00000
Mn2 Mn 0.14158 0.14158 0.14158 1.00000
Co1 Co 0.44502 0.44502 0.44502 1.00000
Co2 Co 0.55498 0.55498 0.55498 1.00000
Ge1 Ge 0.25152 0.25152 0.25152 1.00000
Ge2 Ge 0.74848 0.74848 0.74848 1.00000
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