Pr3(CuGe)4
Alexandria ALEXAlex-ID: agm005706499 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_1_spg71
Pr2(CuGe)3 PrCuGe
2023-06-29 19:42:42.923780
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706499).
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 agm005706499
data_agm005706499
_cell_length_a 4.35803
_cell_length_b 6.78299
_cell_length_c 8.27019
_cell_angle_alpha 114.21030
_cell_angle_beta 105.27655
_cell_angle_gamma 90.00000
_cell_volume 213.46202
_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 0.13314 0.13314 0.26629 1.00000
Pr2 Pr 0.86686 0.86686 0.73371 1.00000
Pr3 Pr 0.00000 0.50000 0.00000 1.00000
Cu1 Cu 0.33502 0.15079 0.67004 1.00000
Cu2 Cu 0.66498 0.48076 0.32996 1.00000
Cu3 Cu 0.66498 0.84921 0.32996 1.00000
Cu4 Cu 0.33502 0.51924 0.67004 1.00000
Ge1 Ge 0.21645 0.71645 0.43291 1.00000
Ge2 Ge 0.78355 0.28355 0.56709 1.00000
Ge3 Ge 0.50000 0.81212 0.00000 1.00000
Ge4 Ge 0.50000 0.18788 1.00000 1.00000
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