Ac5In2N
Alexandria ALEXAlex-ID: agm006010883 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_1190_spg62
Ac5In3 Ac3InN Ac
2023-09-03 06:53:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010883).
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 agm006010883
data_agm006010883
_cell_length_a 7.40748
_cell_length_b 9.59102
_cell_length_c 15.51702
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1102.41136
_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 0.75000 0.72749 0.11950 1.00000
Ac2 Ac 0.25000 0.27251 0.88050 1.00000
Ac3 Ac 0.25000 0.77251 0.61950 1.00000
Ac4 Ac 0.75000 0.22749 0.38050 1.00000
Ac5 Ac 0.50143 0.63949 0.89505 1.00000
Ac6 Ac 0.49857 0.36051 0.10495 1.00000
Ac7 Ac 0.49857 0.86051 0.39505 1.00000
Ac8 Ac 0.00143 0.36051 0.10495 1.00000
Ac9 Ac 0.50143 0.13949 0.60495 1.00000
Ac10 Ac 0.99857 0.63949 0.89505 1.00000
Ac11 Ac 0.99857 0.13949 0.60495 1.00000
Ac12 Ac 0.00143 0.86051 0.39505 1.00000
Ac13 Ac 0.50000 0.00000 0.00000 1.00000
Ac14 Ac 0.50000 0.50000 0.50000 1.00000
Ac15 Ac 0.00000 0.00000 0.00000 1.00000
Ac16 Ac 0.00000 0.50000 0.50000 1.00000
Ac17 Ac 0.75000 0.94734 0.79311 1.00000
Ac18 Ac 0.25000 0.05266 0.20689 1.00000
Ac19 Ac 0.25000 0.55266 0.29311 1.00000
Ac20 Ac 0.75000 0.44734 0.70689 1.00000
In1 In 0.75000 0.55734 0.30662 1.00000
In2 In 0.25000 0.44266 0.69338 1.00000
In3 In 0.25000 0.94266 0.80662 1.00000
In4 In 0.75000 0.05734 0.19338 1.00000
In5 In 0.75000 0.79861 0.58691 1.00000
In6 In 0.25000 0.20139 0.41309 1.00000
In7 In 0.25000 0.70139 0.08691 1.00000
In8 In 0.75000 0.29861 0.91309 1.00000
N1 N 0.75000 0.81099 0.94401 1.00000
N2 N 0.25000 0.18901 0.05599 1.00000
N3 N 0.25000 0.68901 0.44401 1.00000
N4 N 0.75000 0.31099 0.55599 1.00000
