BaAc2TbTl4
Alexandria ALEXAlex-ID: agm004807482 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
AcTl BaTl Ac2Tb3Tl4 Ac3Tl5
2022-07-13 09:17:19.246421
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004807482).
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
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# CIF generated by HEAS from Alexandria entry agm004807482
data_agm004807482
_cell_length_a 5.79123
_cell_length_b 5.79123
_cell_length_c 10.06874
_cell_angle_alpha 73.28658
_cell_angle_beta 73.28658
_cell_angle_gamma 60.00000
_cell_volume 275.85217
_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
Ac1 Ac 0.74932 0.74932 0.75205 1.00000
Ac2 Ac 0.25068 0.25068 0.24795 1.00000
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Tl1 Tl 0.38452 0.38452 0.84644 1.00000
Tl2 Tl 0.87010 0.87010 0.38970 1.00000
Tl3 Tl 0.12990 0.12990 0.61030 1.00000
Tl4 Tl 0.61548 0.61548 0.15356 1.00000
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