RhWN3
Alexandria ALEXAlex-ID: agm005246018 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4599_spg2
W2N3 Rh RhN2
2023-05-08 06:33:24.764343
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246018).
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 agm005246018
data_agm005246018
_cell_length_a 5.97319
_cell_length_b 6.46894
_cell_length_c 7.76777
_cell_angle_alpha 103.56976
_cell_angle_beta 98.79923
_cell_angle_gamma 88.38314
_cell_volume 288.32635
_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
Rh1 Rh 0.77288 0.15315 0.51606 1.00000
Rh2 Rh 0.22712 0.84685 0.48394 1.00000
Rh3 Rh 0.59073 0.77644 0.31292 1.00000
Rh4 Rh 0.40927 0.22356 0.68708 1.00000
W1 W 0.82456 0.98461 0.11976 1.00000
W2 W 0.17544 0.01539 0.88024 1.00000
W3 W 0.36894 0.32895 0.22987 1.00000
W4 W 0.63106 0.67105 0.77013 1.00000
N1 N 0.92571 0.91442 0.34380 1.00000
N2 N 0.07429 0.08558 0.65620 1.00000
N3 N 0.91508 0.82612 0.89169 1.00000
N4 N 0.08492 0.17388 0.10831 1.00000
N5 N 0.53857 0.81508 0.05629 1.00000
N6 N 0.46143 0.18492 0.94371 1.00000
N7 N 0.57745 0.75609 0.56275 1.00000
N8 N 0.42255 0.24391 0.43725 1.00000
N9 N 0.62670 0.24511 0.08366 1.00000
N10 N 0.37330 0.75489 0.91634 1.00000
N11 N 0.29068 0.61152 0.28101 1.00000
N12 N 0.70932 0.38848 0.71899 1.00000
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