Mn4Cr2Se9
Alexandria ALEXAlex-ID: agm005642129 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_0_spg9
Mn(CrSe2)2 MnSe2 MnSe
2023-06-16 22:37:05.480594
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642129).
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 agm005642129
data_agm005642129
_cell_length_a 6.45283
_cell_length_b 6.45326
_cell_length_c 17.28087
_cell_angle_alpha 90.00603
_cell_angle_beta 90.01826
_cell_angle_gamma 60.01298
_cell_volume 623.27933
_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
Mn1 Mn 0.33307 0.33345 0.99065 1.00000
Mn2 Mn 0.33400 0.33310 0.49108 1.00000
Mn3 Mn 0.66693 0.66655 0.00935 1.00000
Mn4 Mn 0.33223 0.33361 0.17875 1.00000
Mn5 Mn 0.66600 0.66690 0.50892 1.00000
Mn6 Mn 0.66572 0.66698 0.32164 1.00000
Mn7 Mn 0.33428 0.33302 0.67836 1.00000
Mn8 Mn 0.66777 0.66639 0.82125 1.00000
Cr1 Cr 0.99888 0.00143 0.34488 1.00000
Cr2 Cr 0.99972 0.99912 0.15492 1.00000
Cr3 Cr 0.00112 0.99857 0.65512 1.00000
Cr4 Cr 0.00028 0.00088 0.84508 1.00000
Se1 Se 0.00164 0.30705 0.74979 1.00000
Se2 Se 0.30785 0.69147 0.75031 1.00000
Se3 Se 0.69266 0.00034 0.75008 1.00000
Se4 Se 0.99836 0.69295 0.25021 1.00000
Se5 Se 0.69215 0.30853 0.24969 1.00000
Se6 Se 0.30734 0.99966 0.24992 1.00000
Se7 Se 0.66302 0.98339 0.41562 1.00000
Se8 Se 0.98156 0.35449 0.41595 1.00000
Se9 Se 0.35278 0.66484 0.41560 1.00000
Se10 Se 0.64552 0.01805 0.08425 1.00000
Se11 Se 0.33574 0.64538 0.08432 1.00000
Se12 Se 0.01827 0.33461 0.08408 1.00000
Se13 Se 0.33698 0.01661 0.58438 1.00000
Se14 Se 0.01844 0.64551 0.58405 1.00000
Se15 Se 0.64722 0.33516 0.58440 1.00000
Se16 Se 0.35448 0.98195 0.91575 1.00000
Se17 Se 0.66426 0.35462 0.91568 1.00000
Se18 Se 0.98173 0.66539 0.91592 1.00000
