Dy2VTcN5
Alexandria ALEXAlex-ID: agm005164048 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_216_spg36
DyN6 Dy3(VN3)2 DyTcN2 VN
2023-01-17 01:05:31.856897
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164048).
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
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# CIF generated by HEAS from Alexandria entry agm005164048
data_agm005164048
_cell_length_a 3.30386
_cell_length_b 6.65512
_cell_length_c 9.82494
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.37216
_cell_volume 209.26596
_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 0.85439 0.70879 0.78913 1.00000
Dy2 Dy 0.10891 0.21782 0.69811 1.00000
Dy3 Dy 0.14561 0.29121 0.28913 1.00000
Dy4 Dy 0.89109 0.78218 0.19811 1.00000
V1 V 0.52413 0.04825 0.96459 1.00000
V2 V 0.47587 0.95175 0.46459 1.00000
Tc1 Tc 0.77643 0.55287 0.51329 1.00000
Tc2 Tc 0.22357 0.44713 0.01329 1.00000
N1 N 0.37313 0.74626 0.00772 1.00000
N2 N 0.68201 0.36401 0.87637 1.00000
N3 N 0.48971 0.97943 0.78723 1.00000
N4 N 0.28320 0.56640 0.63918 1.00000
N5 N 0.95120 0.90241 0.54834 1.00000
N6 N 0.62687 0.25374 0.50772 1.00000
N7 N 0.31799 0.63599 0.37637 1.00000
N8 N 0.51029 0.02057 0.28723 1.00000
N9 N 0.71680 0.43360 0.13918 1.00000
N10 N 0.04880 0.09759 0.04834 1.00000
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