U6Sn2C
Alexandria ALEXAlex-ID: agm005777718 · 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_807_spg14
U2C U2Sn
2023-07-06 17:51:11.924398
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777718).
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 agm005777718
data_agm005777718
_cell_length_a 6.36668
_cell_length_b 6.32613
_cell_length_c 9.21320
_cell_angle_alpha 90.00000
_cell_angle_beta 91.66972
_cell_angle_gamma 90.00000
_cell_volume 370.91716
_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 0.93820 0.99450 0.23933 1.00000
U2 U 0.71597 0.76805 0.46471 1.00000
U3 U 0.82346 0.76317 0.02236 1.00000
U4 U 0.67654 0.26317 0.47764 1.00000
U5 U 0.78403 0.26805 0.03529 1.00000
U6 U 0.56180 0.49450 0.26067 1.00000
U7 U 0.06180 0.00550 0.76067 1.00000
U8 U 0.28403 0.23195 0.53529 1.00000
U9 U 0.17654 0.23683 0.97764 1.00000
U10 U 0.32346 0.73683 0.52236 1.00000
U11 U 0.21597 0.73195 0.96471 1.00000
U12 U 0.43820 0.50550 0.73933 1.00000
Sn1 Sn 0.94170 0.50096 0.72377 1.00000
Sn2 Sn 0.55830 0.00096 0.77623 1.00000
Sn3 Sn 0.44170 0.99904 0.22377 1.00000
Sn4 Sn 0.05830 0.49904 0.27623 1.00000
C1 C 0.50000 0.50000 0.00000 1.00000
C2 C 0.00000 0.00000 0.50000 1.00000
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