UCrN2
Alexandria ALEXAlex-ID: agm005803299 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_229_spg62
Cr2N U4N7 Cr
2023-07-13 02:26:57.047885
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803299).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005803299
data_agm005803299
_cell_length_a 3.18261
_cell_length_b 5.38651
_cell_length_c 10.53734
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 180.64341
_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 0.75000 0.07874 0.14416 1.00000
U2 U 0.25000 0.92126 0.85584 1.00000
U3 U 0.75000 0.57874 0.35584 1.00000
U4 U 0.25000 0.42126 0.64416 1.00000
Cr1 Cr 0.25000 0.57769 0.09458 1.00000
Cr2 Cr 0.25000 0.07769 0.40542 1.00000
Cr3 Cr 0.75000 0.42231 0.90542 1.00000
Cr4 Cr 0.75000 0.92231 0.59458 1.00000
N1 N 0.75000 0.23401 0.49254 1.00000
N2 N 0.25000 0.76599 0.50746 1.00000
N3 N 0.75000 0.73401 0.00746 1.00000
N4 N 0.25000 0.26599 0.99254 1.00000
N5 N 0.75000 0.16531 0.75359 1.00000
N6 N 0.25000 0.33469 0.25359 1.00000
N7 N 0.75000 0.66531 0.74641 1.00000
N8 N 0.25000 0.83469 0.24641 1.00000
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