AcY(MoN3)2
Alexandria ALEXAlex-ID: agm004977451 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_262_spg15
AcY(MoN3)2
2022-07-29 02:01:59.216702
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004977451).
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 agm004977451
data_agm004977451
_cell_length_a 6.16941
_cell_length_b 7.37012
_cell_length_c 7.37012
_cell_angle_alpha 85.94190
_cell_angle_beta 77.94982
_cell_angle_gamma 77.94982
_cell_volume 320.37890
_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 0.25000 0.31536 0.68464 1.00000
Ac2 Ac 0.75000 0.68464 0.31536 1.00000
Y1 Y 0.25000 0.91368 0.08632 1.00000
Y2 Y 0.75000 0.08632 0.91368 1.00000
Mo1 Mo 0.22426 0.80429 0.62215 1.00000
Mo2 Mo 0.27574 0.37785 0.19571 1.00000
Mo3 Mo 0.77574 0.19571 0.37785 1.00000
Mo4 Mo 0.72426 0.62215 0.80429 1.00000
N1 N 0.13801 0.99325 0.79106 1.00000
N2 N 0.36199 0.20894 0.00675 1.00000
N3 N 0.86199 0.00675 0.20894 1.00000
N4 N 0.63801 0.79106 0.99325 1.00000
N5 N 0.32324 0.88854 0.39242 1.00000
N6 N 0.17676 0.60758 0.11146 1.00000
N7 N 0.67676 0.11146 0.60758 1.00000
N8 N 0.82324 0.39242 0.88854 1.00000
N9 N 0.98555 0.66681 0.62620 1.00000
N10 N 0.51445 0.37380 0.33319 1.00000
N11 N 0.01445 0.33319 0.37380 1.00000
N12 N 0.48555 0.62620 0.66681 1.00000
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