Ac3Sb3N
Alexandria ALEXAlex-ID: agm005960765 · 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
AB3C3_325_spg12
AcSb AcN2 Sb
2023-08-06 11:30:30.787303
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005960765).
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 agm005960765
data_agm005960765
_cell_length_a 7.30059
_cell_length_b 7.30059
_cell_length_c 9.29692
_cell_angle_alpha 97.23951
_cell_angle_beta 97.23950
_cell_angle_gamma 109.51342
_cell_volume 455.77922
_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 0.15517 0.15517 0.88200 1.00000
Ac2 Ac 0.44235 0.10991 0.26181 1.00000
Ac3 Ac 0.10991 0.44235 0.26181 1.00000
Ac4 Ac 0.55765 0.89009 0.73819 1.00000
Ac5 Ac 0.89009 0.55765 0.73819 1.00000
Ac6 Ac 0.84483 0.84483 0.11800 1.00000
Sb1 Sb 0.36718 0.36718 0.57639 1.00000
Sb2 Sb 0.12141 0.87859 0.50000 1.00000
Sb3 Sb 0.87859 0.12141 0.50000 1.00000
Sb4 Sb 0.30090 0.69910 1.00000 1.00000
Sb5 Sb 0.69910 0.30090 0.00000 1.00000
Sb6 Sb 0.63282 0.63282 0.42361 1.00000
N1 N 0.15276 0.15276 0.14429 1.00000
N2 N 0.84724 0.84724 0.85571 1.00000
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