Ba8AcTl4
Alexandria ALEXAlex-ID: agm097763147 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_786_spg8
Ba2Tl Ac
2025-06-02 10:51:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097763147).
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 agm097763147
data_agm097763147
_cell_length_a 4.42307
_cell_length_b 12.95912
_cell_length_c 12.23811
_cell_angle_alpha 63.43317
_cell_angle_beta 89.98567
_cell_angle_gamma 89.84566
_cell_volume 627.40851
_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 0.84614 0.29998 0.01381 1.00000
Ba2 Ba 0.34345 0.62241 0.31953 1.00000
Ba3 Ba 0.34253 0.61956 0.75316 1.00000
Ba4 Ba 0.34950 0.00231 0.63531 1.00000
Ba5 Ba 0.84876 0.87597 0.40127 1.00000
Ba6 Ba 0.84610 0.31255 0.35521 1.00000
Ba7 Ba 0.34579 0.30754 0.68934 1.00000
Ba8 Ba 0.84419 0.74361 0.98451 1.00000
Ac1 Ac 0.34887 0.99403 0.07158 1.00000
Tl1 Tl 0.84872 0.06395 0.83274 1.00000
Tl2 Tl 0.34508 0.48419 0.09712 1.00000
Tl3 Tl 0.84346 0.54837 0.57024 1.00000
Tl4 Tl 0.34740 0.12554 0.27618 1.00000
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