RbYHfS4
Alexandria ALEXAlex-ID: agm076282097 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_991_spg8
RbYHfS4
2025-01-16 07:03:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076282097).
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 agm076282097
data_agm076282097
_cell_length_a 3.86073
_cell_length_b 6.67255
_cell_length_c 8.29738
_cell_angle_alpha 97.96130
_cell_angle_beta 103.44762
_cell_angle_gamma 89.99762
_cell_volume 205.76936
_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 0.00117 0.00206 0.00364 1.00000
Y1 Y 0.75239 0.25233 0.50460 1.00000
Hf1 Hf 0.24815 0.74565 0.49586 1.00000
S1 S 0.15940 0.40262 0.31855 1.00000
S2 S 0.65884 0.87142 0.31777 1.00000
S3 S 0.34205 0.09120 0.68400 1.00000
S4 S 0.83799 0.63473 0.67558 1.00000
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