Ba3Tl2Cd9
Alexandria ALEXAlex-ID: agm005602009 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_126_spg71
Ba2Tl3Cd Ba3Cd11 BaCd11
2023-06-13 23:22:25.480463
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602009).
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 agm005602009
data_agm005602009
_cell_length_a 5.31834
_cell_length_b 9.61154
_cell_length_c 9.61154
_cell_angle_alpha 63.74235
_cell_angle_beta 73.93879
_cell_angle_gamma 73.93879
_cell_volume 416.58227
_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 0.00000 0.00000 0.00000 1.00000
Ba2 Ba 0.70261 0.29739 0.29739 1.00000
Ba3 Ba 0.29739 0.70261 0.70261 1.00000
Tl1 Tl 0.50000 0.31628 0.68372 1.00000
Tl2 Tl 0.50000 0.68372 0.31628 1.00000
Cd1 Cd 0.00000 0.50000 0.50000 1.00000
Cd2 Cd 0.66394 0.97861 0.69350 1.00000
Cd3 Cd 0.33606 0.02139 0.30650 1.00000
Cd4 Cd 0.66394 0.69350 0.97861 1.00000
Cd5 Cd 0.33606 0.30650 0.02139 1.00000
Cd6 Cd 0.85746 0.85722 0.42786 1.00000
Cd7 Cd 0.14254 0.14278 0.57214 1.00000
Cd8 Cd 0.85746 0.42786 0.85722 1.00000
Cd9 Cd 0.14254 0.57214 0.14278 1.00000
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