Y3Cr2MoN6
Alexandria ALEXAlex-ID: agm033683032 · 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_166_spg12
YMoN2 CrN YN
2024-08-14 17:29:27.517306
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033683032).
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 agm033683032
data_agm033683032
_cell_length_a 7.15096
_cell_length_b 7.15096
_cell_length_c 6.36715
_cell_angle_alpha 78.40584
_cell_angle_beta 78.40584
_cell_angle_gamma 26.21646
_cell_volume 140.73878
_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 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.83051 0.83051 0.32518 1.00000
Y3 Y 0.16949 0.16949 0.67482 1.00000
Cr1 Cr 0.83608 0.83608 0.82747 1.00000
Cr2 Cr 0.16392 0.16392 0.17253 1.00000
Mo1 Mo 0.50000 0.50000 0.50000 1.00000
N1 N 0.33955 0.33955 0.59808 1.00000
N2 N 0.67549 0.67549 0.94492 1.00000
N3 N 0.66045 0.66045 0.40192 1.00000
N4 N 0.00671 0.00671 0.26163 1.00000
N5 N 0.99329 0.99329 0.73837 1.00000
N6 N 0.32451 0.32451 0.05508 1.00000
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