Sr2VMoN5
Alexandria ALEXAlex-ID: agm005163335 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_219_spg36
Sr2VN3 MoN2
2023-01-17 01:29:13.412019
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005163335).
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 agm005163335
data_agm005163335
_cell_length_a 3.24790
_cell_length_b 7.45533
_cell_length_c 10.93947
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.58126
_cell_volume 258.52959
_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
Sr1 Sr 0.86707 0.73414 0.82010 1.00000
Sr2 Sr 0.10581 0.21162 0.67900 1.00000
Sr3 Sr 0.13293 0.26586 0.32010 1.00000
Sr4 Sr 0.89419 0.78838 0.17900 1.00000
V1 V 0.55773 0.11546 0.93752 1.00000
V2 V 0.44227 0.88454 0.43752 1.00000
Mo1 Mo 0.78583 0.57165 0.53282 1.00000
Mo2 Mo 0.21417 0.42835 0.03282 1.00000
N1 N 0.33473 0.66945 0.00327 1.00000
N2 N 0.68168 0.36336 0.89312 1.00000
N3 N 0.50061 0.00121 0.80008 1.00000
N4 N 0.29378 0.58757 0.63882 1.00000
N5 N 0.96020 0.92039 0.51923 1.00000
N6 N 0.66527 0.33055 0.50327 1.00000
N7 N 0.31832 0.63664 0.39312 1.00000
N8 N 0.49939 0.99879 0.30008 1.00000
N9 N 0.70622 0.41243 0.13882 1.00000
N10 N 0.03980 0.07961 0.01923 1.00000
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