U6Ga2N
Alexandria ALEXAlex-ID: agm005779293 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1036_spg14
U2Ga U UN
2023-07-09 03:05:38.331185
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779293).
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 agm005779293
data_agm005779293
_cell_length_a 6.19073
_cell_length_b 6.13311
_cell_length_c 9.07916
_cell_angle_alpha 90.00000
_cell_angle_beta 90.89768
_cell_angle_gamma 90.00000
_cell_volume 344.67878
_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 0.95419 0.98117 0.24933 1.00000
U2 U 0.71062 0.78261 0.48727 1.00000
U3 U 0.80841 0.78640 0.01740 1.00000
U4 U 0.69159 0.28640 0.48260 1.00000
U5 U 0.78938 0.28261 0.01273 1.00000
U6 U 0.54581 0.48117 0.25067 1.00000
U7 U 0.04581 0.01883 0.75067 1.00000
U8 U 0.28938 0.21739 0.51273 1.00000
U9 U 0.19159 0.21360 0.98260 1.00000
U10 U 0.30841 0.71360 0.51740 1.00000
U11 U 0.21062 0.71739 0.98727 1.00000
U12 U 0.45419 0.51883 0.74933 1.00000
Ga1 Ga 0.95897 0.50791 0.72893 1.00000
Ga2 Ga 0.54103 0.00791 0.77107 1.00000
Ga3 Ga 0.45897 0.99209 0.22893 1.00000
Ga4 Ga 0.04103 0.49209 0.27107 1.00000
N1 N 0.50000 0.50000 0.00000 1.00000
N2 N 0.00000 0.00000 0.50000 1.00000
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