Y2Tm3S4
Alexandria ALEXAlex-ID: agm005692906 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Y4TmS5 YTm2S3 Tm
2023-06-30 21:59:31.821518
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692906).
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
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# CIF generated by HEAS from Alexandria entry agm005692906
data_agm005692906
_cell_length_a 3.82820
_cell_length_b 3.82820
_cell_length_c 15.76326
_cell_angle_alpha 90.01376
_cell_angle_beta 89.98624
_cell_angle_gamma 119.99978
_cell_volume 200.06293
_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 0.66700 0.33300 0.79350 1.00000
Y2 Y 0.33300 0.66700 0.20650 1.00000
Tm1 Tm 0.66631 0.33369 0.41178 1.00000
Tm2 Tm 0.00000 0.00000 0.00000 1.00000
Tm3 Tm 0.33369 0.66631 0.58822 1.00000
S1 S 0.33350 0.66650 0.90026 1.00000
S2 S 0.99961 0.00039 0.30974 1.00000
S3 S 0.00039 0.99961 0.69026 1.00000
S4 S 0.66650 0.33350 0.09974 1.00000
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