TlPRhS3
Alexandria ALEXAlex-ID: agm002233554 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_204_spg2
TlPS3 Rh3S8 Tl3PS4 PRhS
2018-07-22 11:01:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002233554).
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 agm002233554
data_agm002233554
_cell_length_a 6.26459
_cell_length_b 7.08344
_cell_length_c 7.10112
_cell_angle_alpha 100.38292
_cell_angle_beta 102.20860
_cell_angle_gamma 113.58229
_cell_volume 269.64588
_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
P1 P 0.60533 0.05460 0.66592 1.00000
P2 P 0.39467 0.94540 0.33408 1.00000
Tl1 Tl 0.93106 0.28419 0.18444 1.00000
Tl2 Tl 0.06894 0.71581 0.81556 1.00000
Rh1 Rh 0.79786 0.84017 0.04222 1.00000
Rh2 Rh 0.20214 0.15983 0.95778 1.00000
S1 S 0.46897 0.71724 0.17156 1.00000
S2 S 0.47457 0.23301 0.26625 1.00000
S3 S 0.53103 0.28276 0.82844 1.00000
S4 S 0.52543 0.76699 0.73375 1.00000
S5 S 0.03098 0.79408 0.31910 1.00000
S6 S 0.96902 0.20592 0.68090 1.00000
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