Rb2Mg(AuS2)2
Alexandria ALEXAlex-ID: agm011481663 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_82_spg12
Rb2S5 Rb4Au6S5 RbAuS MgS
2024-05-29 19:49:45.313284
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011481663).
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 agm011481663
data_agm011481663
_cell_length_a 9.58023
_cell_length_b 9.58023
_cell_length_c 7.56542
_cell_angle_alpha 67.25433
_cell_angle_beta 67.25433
_cell_angle_gamma 22.25687
_cell_volume 241.71610
_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 0.12628 0.12628 0.34496 1.00000
Rb2 Rb 0.87372 0.87372 0.65504 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.64072 0.64072 0.79881 1.00000
Au2 Au 0.35928 0.35928 0.20119 1.00000
S1 S 0.20909 0.20909 0.84896 1.00000
S2 S 0.79091 0.79091 0.15104 1.00000
S3 S 0.52282 0.52282 0.74481 1.00000
S4 S 0.47718 0.47718 0.25519 1.00000
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