Ho2Sc2Tl2S
Alexandria ALEXAlex-ID: agm024000481 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_50_spg2
Sc3TlS Ho5Tl3S Sc5Tl3S
2025-03-07 20:12:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024000481).
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 agm024000481
data_agm024000481
_cell_length_a 6.35704
_cell_length_b 6.35704
_cell_length_c 8.81999
_cell_angle_alpha 59.05087
_cell_angle_beta 120.94913
_cell_angle_gamma 145.56324
_cell_volume 169.85306
_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
Ho1 Ho 0.09560 0.90440 0.85162 1.00000
Ho2 Ho 0.90440 0.09560 0.14838 1.00000
Sc1 Sc 0.65610 0.34390 0.55264 1.00000
Sc2 Sc 0.34390 0.65610 0.44736 1.00000
Tl1 Tl 0.63905 0.36095 0.17952 1.00000
Tl2 Tl 0.36095 0.63905 0.82048 1.00000
S1 S 0.00000 0.00000 0.50000 1.00000
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