Ce3Sc5U3
Alexandria ALEXAlex-ID: agm008347646 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_210_spg1
Ce Sc U
2024-07-13 16:15:30.555801
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008347646).
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 agm008347646
data_agm008347646
_cell_length_a 5.92287
_cell_length_b 6.12637
_cell_length_c 8.14516
_cell_angle_alpha 76.42444
_cell_angle_beta 69.65203
_cell_angle_gamma 85.36052
_cell_volume 269.36724
_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
Ce1 Ce 0.01709 0.21928 0.22070 1.00000
Ce2 Ce 0.89259 0.49768 0.90831 1.00000
Ce3 Ce 0.03113 0.99719 0.79541 1.00000
Sc1 Sc 0.61838 0.89689 0.63654 1.00000
Sc2 Sc 0.42721 0.28119 0.36236 1.00000
Sc3 Sc 0.20783 0.78953 0.42834 1.00000
Sc4 Sc 0.33872 0.64674 0.04744 1.00000
Sc5 Sc 0.76263 0.75390 0.26249 1.00000
U1 U 0.86549 0.38773 0.62666 1.00000
U2 U 0.40291 0.39559 0.71383 1.00000
U3 U 0.43600 0.13427 0.99790 1.00000
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