Dy2Zr(VN2)3
Alexandria ALEXAlex-ID: agm048796901 · 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_594_spg8
Dy2ZrN3 VN
2024-10-15 13:01:33.070521
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048796901).
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}
}
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# CIF generated by HEAS from Alexandria entry agm048796901
data_agm048796901
_cell_length_a 5.52702
_cell_length_b 5.52702
_cell_length_c 5.41030
_cell_angle_alpha 80.30306
_cell_angle_beta 80.30306
_cell_angle_gamma 120.09758
_cell_volume 134.60698
_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 0.66655 0.33345 0.00000 1.00000
Dy2 Dy 0.33345 0.66655 0.00000 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
V1 V 0.83640 0.16360 0.50000 1.00000
V2 V 0.16360 0.83640 0.50000 1.00000
V3 V 0.50000 0.50000 0.50000 1.00000
N1 N 0.58446 0.91084 0.27730 1.00000
N2 N 0.77163 0.77163 0.72133 1.00000
N3 N 0.41554 0.08916 0.72270 1.00000
N4 N 0.91084 0.58446 0.27730 1.00000
N5 N 0.22837 0.22837 0.27867 1.00000
N6 N 0.08916 0.41554 0.72270 1.00000
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