Ba4Sm2Cd3S10
Alexandria ALEXAlex-ID: agm003245293 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D10_7_spg36
Ba2CdS3 Ba(SmS2)2 CdS
2022-01-01 11:11:23.083559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003245293).
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 agm003245293
data_agm003245293
_cell_length_a 9.38819
_cell_length_b 9.38819
_cell_length_c 27.00074
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 154.03038
_cell_volume 1042.09982
_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
Ba1 Ba 0.59596 0.40404 0.33885 1.00000
Ba2 Ba 0.40404 0.59596 0.83885 1.00000
Ba3 Ba 0.57598 0.42402 0.15658 1.00000
Ba4 Ba 0.42402 0.57598 0.65658 1.00000
Ba5 Ba 0.16324 0.83676 0.61045 1.00000
Ba6 Ba 0.83676 0.16324 0.11045 1.00000
Ba7 Ba 0.16277 0.83723 0.89095 1.00000
Ba8 Ba 0.83723 0.16277 0.39095 1.00000
Sm1 Sm 0.50278 0.49722 0.49972 1.00000
Sm2 Sm 0.49722 0.50278 0.99972 1.00000
Sm3 Sm 0.07970 0.92030 0.75357 1.00000
Sm4 Sm 0.92030 0.07970 0.25357 1.00000
Cd1 Cd 0.21757 0.78243 0.23147 1.00000
Cd2 Cd 0.78243 0.21757 0.73147 1.00000
Cd3 Cd 0.15974 0.84026 0.46209 1.00000
Cd4 Cd 0.84026 0.15974 0.96209 1.00000
Cd5 Cd 0.15413 0.84587 0.04434 1.00000
Cd6 Cd 0.84587 0.15413 0.54434 1.00000
S1 S 0.42334 0.57666 0.32215 1.00000
S2 S 0.57666 0.42334 0.82215 1.00000
S3 S 0.40974 0.59026 0.18312 1.00000
S4 S 0.59026 0.40974 0.68312 1.00000
S5 S 0.34733 0.65267 0.48995 1.00000
S6 S 0.65267 0.34733 0.98995 1.00000
S7 S 0.34469 0.65531 0.01863 1.00000
S8 S 0.65531 0.34469 0.51863 1.00000
S9 S 0.23325 0.76675 0.76710 1.00000
S10 S 0.76675 0.23325 0.26710 1.00000
S11 S 0.21125 0.78875 0.37813 1.00000
S12 S 0.78875 0.21125 0.87813 1.00000
S13 S 0.20762 0.79238 0.13145 1.00000
S14 S 0.79238 0.20762 0.63145 1.00000
S15 S 0.07396 0.92604 0.24706 1.00000
S16 S 0.92604 0.07396 0.74706 1.00000
S17 S 0.01677 0.98323 0.43214 1.00000
S18 S 0.98323 0.01677 0.93214 1.00000
S19 S 0.98801 0.01199 0.57181 1.00000
S20 S 0.01199 0.98801 0.07181 1.00000
