U8MnSe17
Alexandria ALEXAlex-ID: agm005227624 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8C17_0_spg12
U8MnSe17
2023-05-10 16:59:57.147744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227624).
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 agm005227624
data_agm005227624
_cell_length_a 8.22058
_cell_length_b 8.22058
_cell_length_c 10.92412
_cell_angle_alpha 80.31268
_cell_angle_beta 80.31268
_cell_angle_gamma 64.75907
_cell_volume 654.35619
_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 0.17931 0.69827 0.69856 1.00000
U2 U 0.69827 0.17931 0.69856 1.00000
U3 U 0.82069 0.30173 0.30144 1.00000
U4 U 0.30173 0.82069 0.30144 1.00000
U5 U 0.79759 0.79759 0.45750 1.00000
U6 U 0.20241 0.20241 0.54250 1.00000
U7 U 0.32059 0.32059 0.01664 1.00000
U8 U 0.67941 0.67941 0.98336 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.18013 0.56569 0.46321 1.00000
Se2 Se 0.56569 0.18013 0.46321 1.00000
Se3 Se 0.81987 0.43431 0.53679 1.00000
Se4 Se 0.43431 0.81987 0.53679 1.00000
Se5 Se 0.05345 0.67552 0.96672 1.00000
Se6 Se 0.67552 0.05345 0.96672 1.00000
Se7 Se 0.94655 0.32448 0.03328 1.00000
Se8 Se 0.32448 0.94655 0.03328 1.00000
Se9 Se 0.78580 0.78580 0.72111 1.00000
Se10 Se 0.21420 0.21420 0.27889 1.00000
Se11 Se 0.94282 0.94282 0.22915 1.00000
Se12 Se 0.05718 0.05718 0.77085 1.00000
Se13 Se 0.69854 0.69854 0.24658 1.00000
Se14 Se 0.30146 0.30146 0.75342 1.00000
Se15 Se 0.47961 0.47961 0.17031 1.00000
Se16 Se 0.52039 0.52039 0.82969 1.00000
Se17 Se 0.00000 0.00000 0.50000 1.00000
