DySc3(MoN3)2
Alexandria ALEXAlex-ID: agm029064848 · 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
AB2C3D6_125_spg2
DyMoN2 Sc2MoN3 ScN
2024-10-15 03:18:45.510858
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm029064848).
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 agm029064848
data_agm029064848
_cell_length_a 7.19907
_cell_length_b 7.19907
_cell_length_c 6.40339
_cell_angle_alpha 75.29915
_cell_angle_beta 75.29915
_cell_angle_gamma 25.43211
_cell_volume 137.60971
_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
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
Sc2 Sc 0.16733 0.16733 0.16666 1.00000
Sc3 Sc 0.83267 0.83267 0.83334 1.00000
Mo1 Mo 0.17949 0.17949 0.63971 1.00000
Mo2 Mo 0.82051 0.82051 0.36029 1.00000
N1 N 0.67377 0.67377 0.90229 1.00000
N2 N 0.33545 0.33545 0.59054 1.00000
N3 N 0.32623 0.32623 0.09771 1.00000
N4 N 0.99808 0.99808 0.26394 1.00000
N5 N 0.00192 0.00192 0.73606 1.00000
N6 N 0.66455 0.66455 0.40946 1.00000
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