Sc2Co3N4
Alexandria ALEXAlex-ID: agm005524366 · 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
A2B3C4_212_spg15
CoN Co ScN
2023-08-10 07:09:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005524366).
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 agm005524366
data_agm005524366
_cell_length_a 5.60048
_cell_length_b 7.88285
_cell_length_c 5.93671
_cell_angle_alpha 89.98285
_cell_angle_beta 83.76083
_cell_angle_gamma 134.73012
_cell_volume 183.99785
_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
Sc1 Sc 0.68240 0.22620 0.64558 1.00000
Sc2 Sc 0.31773 0.54401 0.85430 1.00000
Sc3 Sc 0.31760 0.77380 0.35442 1.00000
Sc4 Sc 0.68227 0.45599 0.14570 1.00000
Co1 Co 0.23683 0.99942 0.05203 1.00000
Co2 Co 0.76323 0.76264 0.44775 1.00000
Co3 Co 0.76317 0.00058 0.94797 1.00000
Co4 Co 0.23677 0.23736 0.55225 1.00000
Co5 Co 0.99991 0.74586 0.75002 1.00000
Co6 Co 0.00009 0.25414 0.24998 1.00000
N1 N 0.21881 0.98897 0.49555 1.00000
N2 N 0.78124 0.77020 0.00440 1.00000
N3 N 0.78119 0.01103 0.50445 1.00000
N4 N 0.21876 0.22980 0.99560 1.00000
N5 N 0.75584 0.23581 0.01272 1.00000
N6 N 0.24414 0.47995 0.48730 1.00000
N7 N 0.24416 0.76419 0.98728 1.00000
N8 N 0.75586 0.52005 0.51270 1.00000
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