Ac6CN2
Alexandria ALEXAlex-ID: agm005772736 · 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
AB2C6_693_spg12
AcC2 Ac AcN
2023-07-06 15:13:49.166731
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772736).
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 agm005772736
data_agm005772736
_cell_length_a 3.97892
_cell_length_b 7.19231
_cell_length_c 11.31341
_cell_angle_alpha 83.01061
_cell_angle_beta 90.00000
_cell_angle_gamma 106.05795
_cell_volume 308.62588
_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 0.87334 0.74668 0.71310 1.00000
Ac2 Ac 0.85581 0.71163 0.10463 1.00000
Ac3 Ac 0.14419 0.28837 0.89537 1.00000
Ac4 Ac 0.60969 0.21939 0.59321 1.00000
Ac5 Ac 0.39031 0.78061 0.40679 1.00000
Ac6 Ac 0.12666 0.25332 0.28690 1.00000
C1 C 0.00000 0.00000 0.50000 1.00000
N1 N 0.69663 0.39327 0.78324 1.00000
N2 N 0.30337 0.60673 0.21676 1.00000
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