Y4CrN12
Alexandria ALEXAlex-ID: agm099432166 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_1677_spg1
YN6 CrN2 YN
2025-04-22 08:50:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099432166).
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 agm099432166
data_agm099432166
_cell_length_a 3.35108
_cell_length_b 8.41004
_cell_length_c 8.86478
_cell_angle_alpha 84.23206
_cell_angle_beta 81.95729
_cell_angle_gamma 86.87557
_cell_volume 245.91638
_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
Y1 Y 0.90957 0.95038 0.91252 1.00000
Y2 Y 0.05706 0.94808 0.51801 1.00000
Y3 Y 0.93177 0.56132 0.01830 1.00000
Y4 Y 0.14639 0.55012 0.49362 1.00000
Cr1 Cr 0.51102 0.71718 0.73806 1.00000
N1 N 0.47350 0.94662 0.72245 1.00000
N2 N 0.57181 0.02028 0.30192 1.00000
N3 N 0.41908 0.32751 0.97009 1.00000
N4 N 0.70339 0.47922 0.29816 1.00000
N5 N 0.41370 0.74109 0.97867 1.00000
N6 N 0.60220 0.74177 0.50869 1.00000
N7 N 0.47474 0.19018 0.96108 1.00000
N8 N 0.59409 0.33321 0.56940 1.00000
N9 N 0.02236 0.61631 0.74942 1.00000
N10 N 0.83322 0.00093 0.20433 1.00000
N11 N 0.84922 0.23655 0.54086 1.00000
N12 N 0.98688 0.38926 0.26441 1.00000
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