U2NbGeN5
Alexandria ALEXAlex-ID: agm056132355 · 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_210_spg36
UN2 NbN Ge
2024-10-15 13:07:24.773401
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm056132355).
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 agm056132355
data_agm056132355
_cell_length_a 7.13829
_cell_length_b 7.13829
_cell_length_c 9.92018
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 154.42695
_cell_volume 218.19834
_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
U1 U 0.63701 0.36299 0.20968 1.00000
U2 U 0.37379 0.62621 0.29537 1.00000
U3 U 0.36299 0.63701 0.70968 1.00000
U4 U 0.62621 0.37379 0.79537 1.00000
Nb1 Nb 0.72149 0.27851 0.49813 1.00000
Nb2 Nb 0.27851 0.72149 0.99813 1.00000
Ge1 Ge 0.98995 0.01005 0.02504 1.00000
Ge2 Ge 0.01005 0.98995 0.52504 1.00000
N1 N 0.12518 0.87482 0.98933 1.00000
N2 N 0.80464 0.19536 0.14698 1.00000
N3 N 0.99968 0.00032 0.21550 1.00000
N4 N 0.20835 0.79165 0.34647 1.00000
N5 N 0.55918 0.44082 0.44955 1.00000
N6 N 0.87482 0.12518 0.48933 1.00000
N7 N 0.19536 0.80464 0.64698 1.00000
N8 N 0.00032 0.99968 0.71550 1.00000
N9 N 0.79165 0.20835 0.84647 1.00000
N10 N 0.44082 0.55918 0.94955 1.00000
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