CsMn2CrSe4
Alexandria ALEXAlex-ID: agm004787948 · Space group: I222 (#23)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_384_spg23
Mn(CrSe2)2 CsMnSe2 Mn
2022-07-13 14:12:48.498742
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004787948).
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
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# CIF generated by HEAS from Alexandria entry agm004787948
data_agm004787948
_cell_length_a 5.72782
_cell_length_b 7.17764
_cell_length_c 7.17764
_cell_angle_alpha 77.44669
_cell_angle_beta 66.48405
_cell_angle_gamma 66.48405
_cell_volume 247.51562
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.09934 0.40066 0.40066 1.00000
Mn2 Mn 0.90066 0.59934 0.59934 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.44690 0.18582 0.51655 1.00000
Se2 Se 0.14927 0.81418 0.48345 1.00000
Se3 Se 0.85073 0.51655 0.18582 1.00000
Se4 Se 0.55310 0.48345 0.81418 1.00000
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