Sr2TmCu5S6
Alexandria ALEXAlex-ID: agm020232145 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5D6_9_spg12
SrTmCuS3 SrS Cu3S2 Cu
2024-11-27 06:21:22.159855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020232145).
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 agm020232145
data_agm020232145
_cell_length_a 6.92333
_cell_length_b 6.92333
_cell_length_c 10.27499
_cell_angle_alpha 86.30058
_cell_angle_beta 93.69942
_cell_angle_gamma 146.97723
_cell_volume 267.79339
_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
Sr1 Sr 0.75400 0.24600 0.78493 1.00000
Sr2 Sr 0.24600 0.75400 0.21507 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.97634 0.02366 0.24580 1.00000
Cu2 Cu 0.02366 0.97634 0.75420 1.00000
Cu3 Cu 0.62987 0.37013 0.47075 1.00000
Cu4 Cu 0.37013 0.62987 0.52925 1.00000
Cu5 Cu 0.00000 0.00000 0.50000 1.00000
S1 S 0.86811 0.13189 0.05588 1.00000
S2 S 0.13189 0.86811 0.94412 1.00000
S3 S 0.84639 0.15361 0.40961 1.00000
S4 S 0.15361 0.84639 0.59039 1.00000
S5 S 0.57690 0.42310 0.25199 1.00000
S6 S 0.42310 0.57690 0.74801 1.00000
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