ScCuI4
Alexandria ALEXAlex-ID: agm002014376 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_4048_spg1
Cu3I4 Cu ScI3
2021-09-17 00:16:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002014376).
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 agm002014376
data_agm002014376
_cell_length_a 7.88829
_cell_length_b 4.19301
_cell_length_c 7.46962
_cell_angle_alpha 89.94222
_cell_angle_beta 95.97863
_cell_angle_gamma 105.39310
_cell_volume 236.81274
_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
I1 I 0.34766 0.09482 0.99320 1.00000
I2 I 0.19035 0.51545 0.42800 1.00000
I3 I 0.89083 0.36671 0.93435 1.00000
I4 I 0.72907 0.78663 0.37860 1.00000
Sc1 Sc 0.04651 0.94379 0.18772 1.00000
Cu1 Cu 0.65914 0.25313 0.17264 1.00000
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