Sc3(UC2)2
Alexandria ALEXAlex-ID: agm005689478 · 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
A2B3C4_30_spg12
Sc5UC5 Sc(UC)2 Sc2UC3
2023-06-26 19:50:37.066261
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689478).
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 agm005689478
data_agm005689478
_cell_length_a 3.35897
_cell_length_b 5.80030
_cell_length_c 7.49513
_cell_angle_alpha 82.30265
_cell_angle_beta 77.05142
_cell_angle_gamma 73.16892
_cell_volume 135.84432
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.19356 0.43030 0.18258 1.00000
Sc3 Sc 0.80644 0.56970 0.81742 1.00000
U1 U 0.63088 0.13239 0.60585 1.00000
U2 U 0.36912 0.86761 0.39415 1.00000
C1 C 0.78066 0.15503 0.28365 1.00000
C2 C 0.21934 0.84497 0.71635 1.00000
C3 C 0.42052 0.28215 0.87681 1.00000
C4 C 0.57948 0.71785 0.12319 1.00000
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