Sr(TlCd3)2
Alexandria ALEXAlex-ID: agm003483643 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_636_spg71
Sr3Cd11 Sr2Cd17 Tl
2022-03-10 22:49:47.694567
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003483643).
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 agm003483643
data_agm003483643
_cell_length_a 3.57828
_cell_length_b 9.01777
_cell_length_c 9.01777
_cell_angle_alpha 60.07064
_cell_angle_beta 78.16793
_cell_angle_gamma 78.16793
_cell_volume 245.00547
_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 1.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.15271 0.35428 0.35428 1.00000
Tl2 Tl 0.84729 0.64572 0.64572 1.00000
Cd1 Cd 0.32304 0.00355 0.34790 1.00000
Cd2 Cd 0.67696 0.99645 0.65210 1.00000
Cd3 Cd 0.67696 0.65210 0.99645 1.00000
Cd4 Cd 0.50000 0.32541 0.67459 1.00000
Cd5 Cd 0.50000 0.67459 0.32541 1.00000
Cd6 Cd 0.32304 0.34790 0.00355 1.00000
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