YTm2(AgS2)3
Alexandria ALEXAlex-ID: agm023072452 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_93_spg12
TmAgS2 YAgS2
2024-10-28 18:11:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023072452).
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 agm023072452
data_agm023072452
_cell_length_a 7.90969
_cell_length_b 7.90969
_cell_length_c 11.89020
_cell_angle_alpha 61.65783
_cell_angle_beta 118.34217
_cell_angle_gamma 150.41640
_cell_volume 319.93424
_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
Y1 Y 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.83260 0.16740 0.66518 1.00000
Tm2 Tm 0.16740 0.83260 0.33482 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Ag2 Ag 0.83516 0.16484 0.17110 1.00000
Ag3 Ag 0.16484 0.83516 0.82890 1.00000
S1 S 0.30606 0.69394 0.79803 1.00000
S2 S 0.64099 0.35901 0.46791 1.00000
S3 S 0.69394 0.30606 0.20197 1.00000
S4 S 0.97555 0.02445 0.13848 1.00000
S5 S 0.02445 0.97555 0.86152 1.00000
S6 S 0.35901 0.64099 0.53209 1.00000
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