TmSc2(TlAg)2
Alexandria ALEXAlex-ID: agm004550751 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_139_spg166
TmTl3 Sc5Tl4 TmAg2 ScAg2
2022-06-23 00:54:24.133461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004550751).
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 agm004550751
data_agm004550751
_cell_length_a 4.75590
_cell_length_b 4.75590
_cell_length_c 8.73609
_cell_angle_alpha 74.20489
_cell_angle_beta 74.20489
_cell_angle_gamma 60.00000
_cell_volume 162.45220
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.13556 0.13556 0.59333 1.00000
Sc2 Sc 0.86444 0.86444 0.40667 1.00000
Tl1 Tl 0.73545 0.73545 0.79364 1.00000
Tl2 Tl 0.26455 0.26455 0.20636 1.00000
Ag1 Ag 0.55993 0.55993 0.32021 1.00000
Ag2 Ag 0.44007 0.44007 0.67979 1.00000
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