NaAcTl3
Alexandria ALEXAlex-ID: agm005773872 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4849_spg11
NaAcTl2 Na2Tl AcTl3
2023-07-04 20:40:50.823320
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773872).
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 agm005773872
data_agm005773872
_cell_length_a 5.65301
_cell_length_b 6.72403
_cell_length_c 8.98070
_cell_angle_alpha 90.00001
_cell_angle_beta 108.56507
_cell_angle_gamma 90.00000
_cell_volume 323.60183
_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
Na1 Na 0.08213 0.75000 0.17099 1.00000
Na2 Na 0.91787 0.25000 0.82901 1.00000
Ac1 Ac 0.70110 0.25000 0.39910 1.00000
Ac2 Ac 0.29890 0.75000 0.60090 1.00000
Tl1 Tl 0.90330 0.75000 0.80801 1.00000
Tl2 Tl 0.50000 0.50000 0.00000 1.00000
Tl3 Tl 0.50000 0.00000 0.00000 1.00000
Tl4 Tl 0.09670 0.25000 0.19199 1.00000
Tl5 Tl 0.32582 0.25000 0.64453 1.00000
Tl6 Tl 0.67418 0.75000 0.35547 1.00000
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