Sm2Tm4S9
Alexandria ALEXAlex-ID: agm005643266 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_0_spg9
Sm(TmS2)3 Sm2S3
2023-06-17 00:35:39.786040
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643266).
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 agm005643266
data_agm005643266
_cell_length_a 6.89983
_cell_length_b 6.90005
_cell_length_c 18.47069
_cell_angle_alpha 89.99745
_cell_angle_beta 90.00490
_cell_angle_gamma 60.00246
_cell_volume 761.57921
_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
Sm1 Sm 0.99966 0.00010 0.35320 1.00000
Sm2 Sm 0.99974 0.99984 0.14672 1.00000
Sm3 Sm 0.00034 0.99990 0.64680 1.00000
Sm4 Sm 0.00026 0.00016 0.85328 1.00000
Tm1 Tm 0.33339 0.33336 0.98523 1.00000
Tm2 Tm 0.33328 0.33334 0.48527 1.00000
Tm3 Tm 0.66661 0.66664 0.01477 1.00000
Tm4 Tm 0.33296 0.33331 0.18383 1.00000
Tm5 Tm 0.66672 0.66666 0.51473 1.00000
Tm6 Tm 0.66631 0.66665 0.31614 1.00000
Tm7 Tm 0.33369 0.33335 0.68386 1.00000
Tm8 Tm 0.66704 0.66669 0.81617 1.00000
S1 S 0.00031 0.30790 0.75002 1.00000
S2 S 0.30810 0.69211 0.75008 1.00000
S3 S 0.69248 0.00005 0.75003 1.00000
S4 S 0.99969 0.69210 0.24998 1.00000
S5 S 0.69190 0.30789 0.24992 1.00000
S6 S 0.30752 0.99995 0.24997 1.00000
S7 S 0.65151 0.97105 0.41641 1.00000
S8 S 0.97085 0.37724 0.41645 1.00000
S9 S 0.37692 0.65201 0.41650 1.00000
S10 S 0.62246 0.02897 0.08358 1.00000
S11 S 0.34808 0.62272 0.08353 1.00000
S12 S 0.02901 0.34782 0.08343 1.00000
S13 S 0.34849 0.02895 0.58359 1.00000
S14 S 0.02915 0.62276 0.58355 1.00000
S15 S 0.62308 0.34799 0.58350 1.00000
S16 S 0.37754 0.97103 0.91642 1.00000
S17 S 0.65192 0.37728 0.91647 1.00000
S18 S 0.97099 0.65218 0.91657 1.00000
