Tb6CrSnS12
Alexandria ALEXAlex-ID: agm022257972 · Space group: Pnnm (#58)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6D12_4_spg58
CrS2 Tb2S3 SnS
2025-01-07 02:41:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022257972).
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 agm022257972
data_agm022257972
_cell_length_a 3.83900
_cell_length_b 13.64570
_cell_length_c 16.00221
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 838.28824
_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
Tb1 Tb 0.00000 0.26983 0.59947 1.00000
Tb2 Tb 0.00000 0.73017 0.40053 1.00000
Tb3 Tb 0.50000 0.23017 0.09947 1.00000
Tb4 Tb 0.50000 0.76983 0.90053 1.00000
Tb5 Tb 0.00000 0.80928 0.65209 1.00000
Tb6 Tb 0.00000 0.19072 0.34791 1.00000
Tb7 Tb 0.50000 0.69072 0.15209 1.00000
Tb8 Tb 0.50000 0.30928 0.84791 1.00000
Tb9 Tb 0.00000 0.04751 0.78159 1.00000
Tb10 Tb 0.00000 0.95249 0.21841 1.00000
Tb11 Tb 0.50000 0.45249 0.28159 1.00000
Tb12 Tb 0.50000 0.54751 0.71841 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.50000 0.00000 1.00000
Sn2 Sn 0.50000 0.00000 0.50000 1.00000
S1 S 0.00000 0.60527 0.25260 1.00000
S2 S 0.00000 0.39473 0.74740 1.00000
S3 S 0.50000 0.89473 0.75260 1.00000
S4 S 0.50000 0.10527 0.24740 1.00000
S5 S 0.00000 0.91983 0.92460 1.00000
S6 S 0.00000 0.08017 0.07540 1.00000
S7 S 0.50000 0.58017 0.42460 1.00000
S8 S 0.50000 0.41983 0.57540 1.00000
S9 S 0.00000 0.69065 0.02009 1.00000
S10 S 0.00000 0.30935 0.97991 1.00000
S11 S 0.50000 0.80935 0.52009 1.00000
S12 S 0.50000 0.19065 0.47991 1.00000
S13 S 0.00000 0.68612 0.79289 1.00000
S14 S 0.00000 0.31388 0.20711 1.00000
S15 S 0.50000 0.81388 0.29289 1.00000
S16 S 0.50000 0.18612 0.70711 1.00000
S17 S 0.00000 0.01314 0.60684 1.00000
S18 S 0.00000 0.98686 0.39316 1.00000
S19 S 0.50000 0.48686 0.10684 1.00000
S20 S 0.50000 0.51314 0.89316 1.00000
S21 S 0.00000 0.61724 0.60798 1.00000
S22 S 0.00000 0.38276 0.39202 1.00000
S23 S 0.50000 0.88276 0.10798 1.00000
S24 S 0.50000 0.11724 0.89202 1.00000
