K3SrU2N6
Alexandria ALEXAlex-ID: agm040690842 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_28_spg12
K4SrU3N8 Sr3U3N8 KN3 K
2024-09-14 04:53:54.684720
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040690842).
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}
}
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# CIF generated by HEAS from Alexandria entry agm040690842
data_agm040690842
_cell_length_a 8.30842
_cell_length_b 8.30842
_cell_length_c 7.69248
_cell_angle_alpha 71.72961
_cell_angle_beta 71.72961
_cell_angle_gamma 25.59096
_cell_volume 217.19063
_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
K1 K 0.50000 0.50000 0.50000 1.00000
K2 K 0.83679 0.83679 0.82939 1.00000
K3 K 0.16321 0.16321 0.17061 1.00000
Sr1 Sr 0.50000 0.50000 0.00000 1.00000
U1 U 0.82895 0.82895 0.33079 1.00000
U2 U 0.17105 0.17105 0.66921 1.00000
N1 N 0.33367 0.33367 0.15878 1.00000
N2 N 0.69534 0.69534 0.44944 1.00000
N3 N 0.66633 0.66633 0.84122 1.00000
N4 N 0.04378 0.04378 0.73920 1.00000
N5 N 0.95622 0.95622 0.26080 1.00000
N6 N 0.30466 0.30466 0.55056 1.00000
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