Ce8CuSi4
Alexandria ALEXAlex-ID: agm098008581 · 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
AB4C8_692_spg1
Ce5Si3 CeCu Ce
2025-06-18 23:44:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098008581).
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
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# CIF generated by HEAS from Alexandria entry agm098008581
data_agm098008581
_cell_length_a 4.06395
_cell_length_b 9.24984
_cell_length_c 8.84536
_cell_angle_alpha 66.65722
_cell_angle_beta 87.43022
_cell_angle_gamma 94.21574
_cell_volume 303.46897
_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 0.36102 0.16430 0.20222 1.00000
Ce2 Ce 0.42766 0.60972 0.15716 1.00000
Ce3 Ce 0.28622 0.73647 0.67720 1.00000
Ce4 Ce 0.32778 0.15946 0.65600 1.00000
Ce5 Ce 0.77096 0.77996 0.31028 1.00000
Ce6 Ce 0.71796 0.34087 0.36408 1.00000
Ce7 Ce 0.61684 0.39268 0.77820 1.00000
Ce8 Ce 0.79560 0.80823 0.85401 1.00000
Cu1 Cu 0.32562 0.94396 0.02146 1.00000
Si1 Si 0.86434 0.08725 0.96832 1.00000
Si2 Si 0.97712 0.45944 0.01180 1.00000
Si3 Si 0.18511 0.51453 0.50530 1.00000
Si4 Si 0.84377 0.00313 0.49397 1.00000
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