Ac3Cd2N
Alexandria ALEXAlex-ID: agm005666385 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_985_spg65
Ac2CdN AcCd
2023-08-23 23:44:24.732392
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666385).
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 agm005666385
data_agm005666385
_cell_length_a 5.34181
_cell_length_b 7.82282
_cell_length_c 8.84478
_cell_angle_alpha 90.00008
_cell_angle_beta 72.52008
_cell_angle_gamma 89.99999
_cell_volume 352.53820
_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
Ac1 Ac 0.50000 0.25000 0.99999 1.00000
Ac2 Ac 0.50000 0.75000 0.00001 1.00000
Ac3 Ac 0.11289 0.00001 0.77348 1.00000
Ac4 Ac 0.88711 0.49999 0.22652 1.00000
Ac5 Ac 0.11289 0.50001 0.77348 1.00000
Ac6 Ac 0.88711 0.99999 0.22652 1.00000
Cd1 Cd 0.70156 0.74998 0.59532 1.00000
Cd2 Cd 0.70249 0.24997 0.59530 1.00000
Cd3 Cd 0.29751 0.75003 0.40470 1.00000
Cd4 Cd 0.29844 0.25002 0.40468 1.00000
N1 N 0.99991 0.75000 0.00000 1.00000
N2 N 0.00009 0.25000 1.00000 1.00000
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