Ce8Ni4As
Alexandria ALEXAlex-ID: agm097375166 · 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_640_spg1
CeNi Ce CeAs
2025-06-17 09:53:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097375166).
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 agm097375166
data_agm097375166
_cell_length_a 4.01377
_cell_length_b 8.31539
_cell_length_c 9.55338
_cell_angle_alpha 63.32043
_cell_angle_beta 91.66270
_cell_angle_gamma 90.42946
_cell_volume 284.78088
_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 0.23604 0.15443 0.19956 1.00000
Ce2 Ce 0.23267 0.68460 0.16773 1.00000
Ce3 Ce 0.27913 0.66852 0.69168 1.00000
Ce4 Ce 0.28820 0.16789 0.58455 1.00000
Ce5 Ce 0.61054 0.75764 0.41759 1.00000
Ce6 Ce 0.61479 0.37279 0.29702 1.00000
Ce7 Ce 0.66745 0.35394 0.80859 1.00000
Ce8 Ce 0.66756 0.82327 0.84610 1.00000
Ni1 Ni 0.20308 0.05433 0.91020 1.00000
Ni2 Ni 0.08008 0.49928 0.00420 1.00000
Ni3 Ni 0.07986 0.48697 0.49731 1.00000
Ni4 Ni 0.81415 0.99099 0.49989 1.00000
As1 As 0.72643 0.98535 0.07557 1.00000
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