SrTmAl3S6O
Alexandria ALEXAlex-ID: agm010954409 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E6_13_spg4
Sr(AlS2)2 Al2S3 Al2O3 Tm2S3
2024-04-10 11:21:02.383133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010954409).
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 agm010954409
data_agm010954409
_cell_length_a 9.24033
_cell_length_b 6.02017
_cell_length_c 9.30434
_cell_angle_alpha 88.86111
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 517.48273
_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 0.33089 0.00145 0.40535 1.00000
Sr2 Sr 0.83089 0.99855 0.59465 1.00000
Tm1 Tm 0.64677 0.97702 0.09448 1.00000
Tm2 Tm 0.14677 0.02298 0.90552 1.00000
Al1 Al 0.50044 0.49898 0.75187 1.00000
Al2 Al 0.00044 0.50102 0.24813 1.00000
Al3 Al 0.12713 0.43661 0.64900 1.00000
Al4 Al 0.62713 0.56339 0.35100 1.00000
Al5 Al 0.88220 0.42577 0.89558 1.00000
Al6 Al 0.38220 0.57423 0.10442 1.00000
S1 S 0.13057 0.80156 0.64615 1.00000
S2 S 0.63057 0.19844 0.35385 1.00000
S3 S 0.86360 0.79306 0.90659 1.00000
S4 S 0.36360 0.20694 0.09341 1.00000
S5 S 0.17163 0.73982 0.16547 1.00000
S6 S 0.67163 0.26018 0.83453 1.00000
S7 S 0.83220 0.75361 0.30196 1.00000
S8 S 0.33220 0.24639 0.69804 1.00000
S9 S 0.06004 0.28576 0.43837 1.00000
S10 S 0.56004 0.71424 0.56163 1.00000
S11 S 0.93578 0.22864 0.09766 1.00000
S12 S 0.43578 0.77136 0.90234 1.00000
O1 O 0.51874 0.69809 0.21454 1.00000
O2 O 0.01874 0.30191 0.78546 1.00000
