K5Mo2N5
Alexandria ALEXAlex-ID: agm005662430 · 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
A2B5C5_174_spg12
K15Mo7N19 K Mo
2023-06-19 08:09:31.194673
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662430).
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 agm005662430
data_agm005662430
_cell_length_a 3.54477
_cell_length_b 8.45518
_cell_length_c 14.11490
_cell_angle_alpha 43.50855
_cell_angle_beta 82.81908
_cell_angle_gamma 77.95086
_cell_volume 284.61648
_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
K1 K 0.50000 0.50000 0.50000 1.00000
K2 K 0.37604 0.19944 0.04971 1.00000
K3 K 0.76310 0.16209 0.31317 1.00000
K4 K 0.23690 0.83791 0.68683 1.00000
K5 K 0.62396 0.80056 0.95029 1.00000
Mo1 Mo 0.96187 0.27359 0.80281 1.00000
Mo2 Mo 0.03813 0.72641 0.19719 1.00000
N1 N 0.94919 0.83022 0.27200 1.00000
N2 N 0.40880 0.42120 0.76172 1.00000
N3 N 0.59120 0.57880 0.23828 1.00000
N4 N 0.05081 0.16978 0.72800 1.00000
N5 N 0.00000 0.00000 0.00000 1.00000
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