Y2Ho(TmS2)3
Alexandria ALEXAlex-ID: agm033408140 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
YTm2S3 Y4HoS5 Ho4TmS5
2024-12-06 08:58:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033408140).
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 agm033408140
data_agm033408140
_cell_length_a 8.65660
_cell_length_b 8.65660
_cell_length_c 7.76199
_cell_angle_alpha 77.08977
_cell_angle_beta 102.91023
_cell_angle_gamma 154.16491
_cell_volume 246.72691
_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 0.16639 0.83361 0.33469 1.00000
Y2 Y 0.83361 0.16639 0.66531 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.83252 0.16748 0.16755 1.00000
Tm3 Tm 0.16748 0.83252 0.83245 1.00000
S1 S 0.66618 0.33382 0.58826 1.00000
S2 S 0.33375 0.66625 0.92180 1.00000
S3 S 0.33382 0.66618 0.41174 1.00000
S4 S 0.00226 0.99774 0.75426 1.00000
S5 S 0.99774 0.00226 0.24574 1.00000
S6 S 0.66625 0.33375 0.07820 1.00000
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