Ba2HoAg5S6
Alexandria ALEXAlex-ID: agm020271142 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5D6_9_spg12
Ba2HoAg5S6
2024-10-26 05:29:17.728850
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020271142).
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 agm020271142
data_agm020271142
_cell_length_a 7.33991
_cell_length_b 7.33991
_cell_length_c 11.26507
_cell_angle_alpha 84.80099
_cell_angle_beta 84.80099
_cell_angle_gamma 33.22534
_cell_volume 331.04898
_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
Ba1 Ba 0.25517 0.25517 0.79793 1.00000
Ba2 Ba 0.74483 0.74483 0.20207 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 0.01617 0.01617 0.24494 1.00000
Ag2 Ag 0.98383 0.98383 0.75506 1.00000
Ag3 Ag 0.35330 0.35330 0.45818 1.00000
Ag4 Ag 0.64670 0.64670 0.54182 1.00000
Ag5 Ag 0.00000 0.00000 0.50000 1.00000
S1 S 0.12383 0.12383 0.04617 1.00000
S2 S 0.87617 0.87617 0.95383 1.00000
S3 S 0.15768 0.15768 0.39794 1.00000
S4 S 0.84232 0.84232 0.60206 1.00000
S5 S 0.41056 0.41056 0.23107 1.00000
S6 S 0.58944 0.58944 0.76893 1.00000
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