Sr3MoN4
Alexandria ALEXAlex-ID: agm005283838 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_124_spg15
Sr3MoN4
2022-12-14 18:55:33.271632
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283838).
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 agm005283838
data_agm005283838
_cell_length_a 10.38421
_cell_length_b 10.38421
_cell_length_c 9.96898
_cell_angle_alpha 83.11289
_cell_angle_beta 83.11289
_cell_angle_gamma 59.91485
_cell_volume 921.20295
_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 0.72086 0.64905 0.70255 1.00000
Sr2 Sr 0.68219 0.36055 0.91312 1.00000
Sr3 Sr 0.38929 0.91970 0.90051 1.00000
Sr4 Sr 0.27914 0.35095 0.29745 1.00000
Sr5 Sr 0.35095 0.27914 0.79745 1.00000
Sr6 Sr 0.63945 0.31781 0.58688 1.00000
Sr7 Sr 0.64905 0.72086 0.20255 1.00000
Sr8 Sr 0.61071 0.08030 0.09949 1.00000
Sr9 Sr 0.95083 0.69454 0.95444 1.00000
Sr10 Sr 0.98362 0.01638 0.25000 1.00000
Sr11 Sr 0.31781 0.63945 0.08688 1.00000
Sr12 Sr 0.01638 0.98362 0.75000 1.00000
Sr13 Sr 0.69454 0.95083 0.45444 1.00000
Sr14 Sr 0.36055 0.68219 0.41312 1.00000
Sr15 Sr 0.04917 0.30546 0.04556 1.00000
Sr16 Sr 0.91970 0.38929 0.40051 1.00000
Sr17 Sr 0.08030 0.61071 0.59949 1.00000
Sr18 Sr 0.30546 0.04917 0.54556 1.00000
Mo1 Mo 0.02767 0.32336 0.71199 1.00000
Mo2 Mo 0.32336 0.02767 0.21199 1.00000
Mo3 Mo 0.66470 0.33530 0.25000 1.00000
Mo4 Mo 0.33530 0.66470 0.75000 1.00000
Mo5 Mo 0.97233 0.67664 0.28801 1.00000
Mo6 Mo 0.67664 0.97233 0.78801 1.00000
N1 N 0.15732 0.64652 0.33641 1.00000
N2 N 0.01204 0.51799 0.18364 1.00000
N3 N 0.17174 0.72662 0.87779 1.00000
N4 N 0.85499 0.66653 0.44388 1.00000
N5 N 0.82826 0.27338 0.12221 1.00000
N6 N 0.98796 0.48201 0.81636 1.00000
N7 N 0.85973 0.86303 0.69173 1.00000
N8 N 0.36907 0.50057 0.65586 1.00000
N9 N 0.51799 0.01204 0.68364 1.00000
N10 N 0.50057 0.36907 0.15586 1.00000
N11 N 0.35348 0.84268 0.16359 1.00000
N12 N 0.27338 0.82826 0.62221 1.00000
N13 N 0.49943 0.63093 0.84414 1.00000
N14 N 0.14501 0.33347 0.55612 1.00000
N15 N 0.64652 0.15732 0.83641 1.00000
N16 N 0.14027 0.13697 0.30827 1.00000
N17 N 0.66653 0.85499 0.94388 1.00000
N18 N 0.63093 0.49943 0.34414 1.00000
N19 N 0.86303 0.85973 0.19173 1.00000
N20 N 0.48201 0.98796 0.31636 1.00000
N21 N 0.13697 0.14027 0.80827 1.00000
N22 N 0.33347 0.14501 0.05612 1.00000
N23 N 0.84268 0.35348 0.66359 1.00000
N24 N 0.72662 0.17174 0.37779 1.00000
