U2V3SnN6
Alexandria ALEXAlex-ID: agm033985049 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
UVN2 VN U4N7 Sn
2024-10-15 05:20:55.164695
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033985049).
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 agm033985049
data_agm033985049
_cell_length_a 7.14655
_cell_length_b 7.14655
_cell_length_c 6.62116
_cell_angle_alpha 72.46478
_cell_angle_beta 72.46478
_cell_angle_gamma 25.14419
_cell_volume 136.66771
_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
U1 U 0.84208 0.84208 0.31565 1.00000
U2 U 0.15792 0.15792 0.68435 1.00000
V1 V 0.50000 0.50000 0.50000 1.00000
V2 V 0.83297 0.83297 0.80337 1.00000
V3 V 0.16703 0.16703 0.19663 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
N1 N 0.31921 0.31921 0.04902 1.00000
N2 N 0.66111 0.66111 0.41069 1.00000
N3 N 0.68079 0.68079 0.95098 1.00000
N4 N 0.98654 0.98654 0.71126 1.00000
N5 N 0.01346 0.01346 0.28874 1.00000
N6 N 0.33889 0.33889 0.58931 1.00000
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