V12Sn(GeS12)2
Alexandria ALEXAlex-ID: agm019414656 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12D24_0_spg44
SnGeS3 V5S8 GeS2 GeS
2025-01-03 14:33:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019414656).
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 agm019414656
data_agm019414656
_cell_length_a 11.94604
_cell_length_b 11.94604
_cell_length_c 11.94604
_cell_angle_alpha 146.42803
_cell_angle_beta 131.80240
_cell_angle_gamma 60.01617
_cell_volume 696.32553
_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
V1 V 0.77317 0.37324 0.81033 1.00000
V2 V 0.10000 0.70868 0.80868 1.00000
V3 V 0.43709 0.03716 0.81033 1.00000
V4 V 0.63177 0.23586 0.39591 1.00000
V5 V 0.96773 0.56970 0.39803 1.00000
V6 V 0.29575 0.90115 0.39460 1.00000
V7 V 0.49345 0.09885 0.39460 1.00000
V8 V 0.82833 0.43030 0.39803 1.00000
V9 V 0.16005 0.76414 0.39591 1.00000
V10 V 0.77317 0.96284 0.39993 1.00000
V11 V 0.10000 0.29132 0.39132 1.00000
V12 V 0.43709 0.62676 0.39993 1.00000
Sn1 Sn 0.50056 0.50000 0.00056 1.00000
Ge1 Ge 0.83249 0.83273 0.99975 1.00000
Ge2 Ge 0.16702 0.16727 0.99975 1.00000
S1 S 0.03147 0.89573 0.59289 1.00000
S2 S 0.35461 0.21315 0.56776 1.00000
S3 S 0.69716 0.56142 0.59289 1.00000
S4 S 0.88070 0.74313 0.13757 1.00000
S5 S 0.20951 0.07658 0.13294 1.00000
S6 S 0.54768 0.40313 0.14455 1.00000
S7 S 0.74143 0.59687 0.14455 1.00000
S8 S 0.05636 0.92342 0.13294 1.00000
S9 S 0.39444 0.25687 0.13757 1.00000
S10 S 0.03147 0.43858 0.13574 1.00000
S11 S 0.35461 0.78685 0.14146 1.00000
S12 S 0.69716 0.10427 0.13574 1.00000
S13 S 0.86599 0.24635 0.11233 1.00000
S14 S 0.20704 0.57277 0.11377 1.00000
S15 S 0.54100 0.90673 0.11377 1.00000
S16 S 0.04735 0.41543 0.63193 1.00000
S17 S 0.37261 0.74545 0.62716 1.00000
S18 S 0.70654 0.08081 0.62572 1.00000
S19 S 0.21650 0.58457 0.63193 1.00000
S20 S 0.54491 0.91919 0.62572 1.00000
S21 S 0.88171 0.25455 0.62716 1.00000
S22 S 0.86599 0.75365 0.61964 1.00000
S23 S 0.20704 0.09327 0.63427 1.00000
S24 S 0.54100 0.42723 0.63427 1.00000
