DyTm(WN3)2
Alexandria ALEXAlex-ID: agm063347735 · 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_307_spg15
DyTm(WN3)2
2025-01-15 05:24:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063347735).
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 agm063347735
data_agm063347735
_cell_length_a 7.17837
_cell_length_b 7.17837
_cell_length_c 5.90091
_cell_angle_alpha 79.90273
_cell_angle_beta 100.09727
_cell_angle_gamma 92.69003
_cell_volume 294.68035
_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 0.09385 0.09385 0.75000 1.00000
Dy2 Dy 0.90615 0.90615 0.25000 1.00000
Tm1 Tm 0.71222 0.71222 0.75000 1.00000
Tm2 Tm 0.28778 0.28778 0.25000 1.00000
W1 W 0.61281 0.21207 0.78481 1.00000
W2 W 0.21207 0.61281 0.71519 1.00000
W3 W 0.38719 0.78793 0.21519 1.00000
W4 W 0.78793 0.38719 0.28481 1.00000
N1 N 0.78186 0.01235 0.85374 1.00000
N2 N 0.01235 0.78186 0.64626 1.00000
N3 N 0.21814 0.98765 0.14626 1.00000
N4 N 0.98765 0.21814 0.35374 1.00000
N5 N 0.38822 0.13866 0.63262 1.00000
N6 N 0.13866 0.38822 0.86738 1.00000
N7 N 0.61178 0.86134 0.36738 1.00000
N8 N 0.86134 0.61178 0.13262 1.00000
N9 N 0.58362 0.29499 0.07241 1.00000
N10 N 0.29499 0.58362 0.42759 1.00000
N11 N 0.41638 0.70501 0.92759 1.00000
N12 N 0.70501 0.41638 0.57241 1.00000
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