ReWN3
Alexandria ALEXAlex-ID: agm005243547 · 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_4613_spg2
Re2N3 W2N3
2023-05-08 06:45:08.720018
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243547).
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 agm005243547
data_agm005243547
_cell_length_a 3.89007
_cell_length_b 8.04943
_cell_length_c 8.54462
_cell_angle_alpha 107.81218
_cell_angle_beta 91.13235
_cell_angle_gamma 102.03776
_cell_volume 248.12427
_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
Re1 Re 0.70989 0.55634 0.69893 1.00000
Re2 Re 0.29011 0.44366 0.30107 1.00000
Re3 Re 0.86432 0.12416 0.12446 1.00000
Re4 Re 0.13568 0.87584 0.87554 1.00000
W1 W 0.13690 0.74571 0.53856 1.00000
W2 W 0.86310 0.25429 0.46144 1.00000
W3 W 0.98564 0.80768 0.16968 1.00000
W4 W 0.01436 0.19232 0.83032 1.00000
N1 N 0.81718 0.01085 0.33015 1.00000
N2 N 0.18282 0.98915 0.66985 1.00000
N3 N 0.79666 0.67609 0.95179 1.00000
N4 N 0.20334 0.32391 0.04821 1.00000
N5 N 0.30387 0.01169 0.12061 1.00000
N6 N 0.69613 0.98831 0.87939 1.00000
N7 N 0.61660 0.65530 0.49077 1.00000
N8 N 0.38340 0.34470 0.50923 1.00000
N9 N 0.75040 0.34717 0.27206 1.00000
N10 N 0.24960 0.65283 0.72794 1.00000
N11 N 0.19216 0.67576 0.27924 1.00000
N12 N 0.80784 0.32424 0.72076 1.00000
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