RbZn4Ga5S12
Alexandria ALEXAlex-ID: agm021192077 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D12_8_spg1
RbZn4Ga5S12
2025-02-28 20:31:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021192077).
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 agm021192077
data_agm021192077
_cell_length_a 8.39172
_cell_length_b 8.43289
_cell_length_c 8.46229
_cell_angle_alpha 107.61195
_cell_angle_beta 107.38352
_cell_angle_gamma 107.39180
_cell_volume 492.29603
_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 0.00173 0.99909 0.00525 1.00000
Zn1 Zn 0.29505 0.37161 0.60314 1.00000
Zn2 Zn 0.36275 0.59769 0.28331 1.00000
Zn3 Zn 0.60358 0.28794 0.36736 1.00000
Zn4 Zn 0.43969 0.81670 0.98047 1.00000
Ga1 Ga 0.65752 0.51170 0.05729 1.00000
Ga2 Ga 0.50695 0.05859 0.65721 1.00000
Ga3 Ga 0.06544 0.66441 0.51608 1.00000
Ga4 Ga 0.81454 0.98275 0.43884 1.00000
Ga5 Ga 0.98140 0.44177 0.81883 1.00000
S1 S 0.07188 0.21910 0.69728 1.00000
S2 S 0.21348 0.69340 0.07144 1.00000
S3 S 0.70178 0.07487 0.22295 1.00000
S4 S 0.30427 0.92547 0.76557 1.00000
S5 S 0.92033 0.76715 0.30711 1.00000
S6 S 0.76646 0.30166 0.91995 1.00000
S7 S 0.55683 0.62015 0.85149 1.00000
S8 S 0.61926 0.85009 0.55002 1.00000
S9 S 0.85272 0.55432 0.62306 1.00000
S10 S 0.37164 0.14623 0.44664 1.00000
S11 S 0.14745 0.44982 0.37456 1.00000
S12 S 0.45062 0.37086 0.14751 1.00000
