CuC2(SN3)2
Alexandria ALEXAlex-ID: agm005266897 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_961_spg12
CuSN N2 C SN
2023-04-21 10:41:10.309008
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005266897).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005266897
data_agm005266897
_cell_length_a 6.45861
_cell_length_b 6.45861
_cell_length_c 5.95873
_cell_angle_alpha 63.94864
_cell_angle_beta 63.94864
_cell_angle_gamma 78.24101
_cell_volume 200.60030
_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
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
C1 C 0.71901 0.71901 0.93666 1.00000
C2 C 0.28099 0.28099 0.06334 1.00000
S1 S 0.72562 0.72562 0.20854 1.00000
S2 S 0.27438 0.27438 0.79146 1.00000
N1 N 0.18675 0.86028 0.74356 1.00000
N2 N 0.13972 0.81325 0.25644 1.00000
N3 N 0.81325 0.13972 0.25644 1.00000
N4 N 0.86028 0.18675 0.74356 1.00000
N5 N 0.70781 0.70781 0.74981 1.00000
N6 N 0.29219 0.29219 0.25019 1.00000
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