Rb2Mg2Se2S
Alexandria ALEXAlex-ID: agm017604718 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_49_spg12
Rb2MgSe2 MgS
2024-10-27 02:57:28.332125
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017604718).
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 agm017604718
data_agm017604718
_cell_length_a 7.35686
_cell_length_b 7.35686
_cell_length_c 8.37997
_cell_angle_alpha 59.38401
_cell_angle_beta 59.38401
_cell_angle_gamma 34.12814
_cell_volume 215.34834
_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
Rb1 Rb 0.56482 0.56482 0.66307 1.00000
Rb2 Rb 0.43518 0.43518 0.33693 1.00000
Mg1 Mg 0.18760 0.18760 0.93389 1.00000
Mg2 Mg 0.81240 0.81240 0.06611 1.00000
Se1 Se 0.19447 0.19447 0.24429 1.00000
Se2 Se 0.80553 0.80553 0.75571 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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