Pr2UGeN5
Alexandria ALEXAlex-ID: agm005149691 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_217_spg36
Pr3Ge6N11 Pr2UN4 UN2 Ge
2023-01-16 19:04:20.806051
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149691).
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 agm005149691
data_agm005149691
_cell_length_a 3.48172
_cell_length_b 7.43852
_cell_length_c 10.55750
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.53465
_cell_volume 265.83405
_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 0.87010 0.74020 0.82157 1.00000
Pr2 Pr 0.10749 0.21498 0.67965 1.00000
Pr3 Pr 0.12990 0.25980 0.32157 1.00000
Pr4 Pr 0.89251 0.78502 0.17965 1.00000
U1 U 0.79566 0.59132 0.52395 1.00000
U2 U 0.20434 0.40868 0.02395 1.00000
Ge1 Ge 0.54534 0.09068 0.93953 1.00000
Ge2 Ge 0.45466 0.90932 0.43953 1.00000
N1 N 0.34861 0.69722 0.00589 1.00000
N2 N 0.68027 0.36054 0.88656 1.00000
N3 N 0.49304 0.98609 0.78181 1.00000
N4 N 0.28791 0.57582 0.65570 1.00000
N5 N 0.95755 0.91511 0.52931 1.00000
N6 N 0.65139 0.30278 0.50589 1.00000
N7 N 0.31973 0.63946 0.38656 1.00000
N8 N 0.50696 0.01391 0.28181 1.00000
N9 N 0.71209 0.42418 0.15570 1.00000
N10 N 0.04245 0.08489 0.02931 1.00000
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