RbZn4Ga5Se12
Alexandria ALEXAlex-ID: agm021125571 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D12_27_spg1
RbZn4Ga5Se12
2025-01-19 14:10:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021125571).
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 agm021125571
data_agm021125571
_cell_length_a 8.80450
_cell_length_b 8.83831
_cell_length_c 8.94342
_cell_angle_alpha 107.87286
_cell_angle_beta 107.14326
_cell_angle_gamma 107.57905
_cell_volume 570.95971
_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 0.99506 0.00007 0.99663 1.00000
Zn1 Zn 0.48945 0.34247 0.93631 1.00000
Zn2 Zn 0.62388 0.70433 0.39810 1.00000
Zn3 Zn 0.40720 0.63378 0.71491 1.00000
Zn4 Zn 0.70948 0.40571 0.63372 1.00000
Ga1 Ga 0.18762 0.55808 0.02231 1.00000
Ga2 Ga 0.02178 0.18256 0.56064 1.00000
Ga3 Ga 0.56312 0.02237 0.18576 1.00000
Ga4 Ga 0.93495 0.47923 0.33595 1.00000
Ga5 Ga 0.33358 0.93712 0.48408 1.00000
Se1 Se 0.85645 0.63175 0.55117 1.00000
Se2 Se 0.55290 0.86011 0.63078 1.00000
Se3 Se 0.64044 0.56457 0.86010 1.00000
Se4 Se 0.37315 0.43954 0.15026 1.00000
Se5 Se 0.15546 0.37810 0.44776 1.00000
Se6 Se 0.44274 0.15240 0.37647 1.00000
Se7 Se 0.06821 0.69145 0.22487 1.00000
Se8 Se 0.22535 0.07084 0.69130 1.00000
Se9 Se 0.69789 0.22275 0.07233 1.00000
Se10 Se 0.77993 0.92148 0.30117 1.00000
Se11 Se 0.29954 0.78246 0.92699 1.00000
Se12 Se 0.92302 0.30005 0.77960 1.00000
