Ca4Ho3AgS8
Alexandria ALEXAlex-ID: agm004726558 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Ho3S4 CaS Ag
2023-02-05 11:39:21.236760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004726558).
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 agm004726558
data_agm004726558
_cell_length_a 7.91569
_cell_length_b 7.93758
_cell_length_c 7.91586
_cell_angle_alpha 119.90915
_cell_angle_beta 119.99931
_cell_angle_gamma 90.00000
_cell_volume 352.17578
_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
Ca1 Ca 0.50000 0.00000 0.00000 1.00000
Ca2 Ca 0.50000 0.00000 0.50000 1.00000
Ca3 Ca 0.00000 0.00000 0.00000 1.00000
Ca4 Ca 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.50000 0.50000 0.50000 1.00000
Ho3 Ho 0.00000 0.50000 0.50000 1.00000
Ag1 Ag 0.00000 0.50000 0.00000 1.00000
S1 S 0.25102 0.74349 0.99246 1.00000
S2 S 0.25106 0.74353 0.50211 1.00000
S3 S 0.25266 0.25796 0.50531 1.00000
S4 S 0.74145 0.74349 0.99246 1.00000
S5 S 0.25855 0.25651 0.00754 1.00000
S6 S 0.74734 0.74204 0.49469 1.00000
S7 S 0.74894 0.25647 0.49789 1.00000
S8 S 0.74898 0.25651 0.00754 1.00000
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