SrV7N10
Alexandria ALEXAlex-ID: agm006220249 · 空间群: Pc (#7)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C10_0_spg7
Sr2VN3 SrN6 VN
2024-01-29 09:46:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006220249).
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 agm006220249
data_agm006220249
_cell_length_a 7.39649
_cell_length_b 7.01239
_cell_length_c 10.41945
_cell_angle_alpha 90.00000
_cell_angle_beta 105.83471
_cell_angle_gamma 90.00000
_cell_volume 519.91870
_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 0.93044 0.03241 0.59632 1.00000
Sr2 Sr 0.93044 0.96759 0.09632 1.00000
N1 N 0.75284 0.87117 0.84287 1.00000
N2 N 0.75284 0.12883 0.34287 1.00000
N3 N 0.57664 0.13841 0.00048 1.00000
N4 N 0.57664 0.86159 0.50048 1.00000
N5 N 0.33780 0.87860 0.86092 1.00000
N6 N 0.33780 0.12140 0.36092 1.00000
N7 N 0.16820 0.18130 0.01887 1.00000
N8 N 0.16820 0.81870 0.51887 1.00000
N9 N 0.27591 0.50614 0.73096 1.00000
N10 N 0.27591 0.49386 0.23096 1.00000
N11 N 0.42272 0.13168 0.66922 1.00000
N12 N 0.42272 0.86832 0.16922 1.00000
N13 N 0.89528 0.34238 0.13867 1.00000
N14 N 0.89528 0.65762 0.63867 1.00000
N15 N 0.07517 0.61454 0.95112 1.00000
N16 N 0.07517 0.38546 0.45112 1.00000
N17 N 0.69544 0.45038 0.82199 1.00000
N18 N 0.69544 0.54962 0.32199 1.00000
N19 N 0.50703 0.54626 0.02421 1.00000
N20 N 0.50703 0.45374 0.52421 1.00000
V1 V 0.54182 0.01297 0.83110 1.00000
V2 V 0.54182 0.98703 0.33110 1.00000
V3 V 0.36063 0.02193 0.01864 1.00000
V4 V 0.36063 0.97807 0.51864 1.00000
V5 V 0.10038 0.40784 0.07562 1.00000
V6 V 0.10038 0.59216 0.57562 1.00000
V7 V 0.67532 0.37488 0.99237 1.00000
V8 V 0.67532 0.62512 0.49237 1.00000
V9 V 0.85590 0.64784 0.81273 1.00000
V10 V 0.85590 0.35216 0.31273 1.00000
V11 V 0.29257 0.62857 0.89207 1.00000
V12 V 0.29257 0.37143 0.39207 1.00000
V13 V 0.47822 0.38840 0.69114 1.00000
V14 V 0.47822 0.61160 0.19114 1.00000
