Ac2UCrN5
Alexandria ALEXAlex-ID: agm005164243 · 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_218_spg36
Ac2CrN4 AcUN3 Cr
2023-01-16 17:19:46.560375
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164243).
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 agm005164243
data_agm005164243
_cell_length_a 3.56446
_cell_length_b 7.54421
_cell_length_c 10.82968
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.66462
_cell_volume 282.97810
_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
Ac1 Ac 0.86500 0.73001 0.83159 1.00000
Ac2 Ac 0.11374 0.22749 0.68241 1.00000
Ac3 Ac 0.13500 0.26999 0.33159 1.00000
Ac4 Ac 0.88626 0.77251 0.18241 1.00000
U1 U 0.80840 0.61679 0.52276 1.00000
U2 U 0.19160 0.38321 0.02276 1.00000
Cr1 Cr 0.54401 0.08803 0.94071 1.00000
Cr2 Cr 0.45599 0.91197 0.44071 1.00000
N1 N 0.33313 0.66627 0.00797 1.00000
N2 N 0.67519 0.35037 0.89166 1.00000
N3 N 0.49827 0.99654 0.79355 1.00000
N4 N 0.29710 0.59420 0.65070 1.00000
N5 N 0.96900 0.93799 0.50263 1.00000
N6 N 0.66687 0.33373 0.50797 1.00000
N7 N 0.32481 0.64963 0.39166 1.00000
N8 N 0.50173 0.00346 0.29355 1.00000
N9 N 0.70290 0.40580 0.15070 1.00000
N10 N 0.03100 0.06201 0.00263 1.00000
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