Ac3(YTl2)2
Alexandria ALEXAlex-ID: agm005670045 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
Ac5Tl4 Ac2Y3Tl4
2023-06-29 06:49:28.409765
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670045).
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 agm005670045
data_agm005670045
_cell_length_a 5.10406
_cell_length_b 7.07055
_cell_length_c 9.63609
_cell_angle_alpha 75.80516
_cell_angle_beta 74.64250
_cell_angle_gamma 68.84218
_cell_volume 308.37065
_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
Ac1 Ac 0.36119 0.58701 0.69062 1.00000
Ac2 Ac 0.00000 0.00000 0.00000 1.00000
Ac3 Ac 0.63881 0.41299 0.30938 1.00000
Y1 Y 0.34859 0.98004 0.32278 1.00000
Y2 Y 0.65141 0.01996 0.67722 1.00000
Tl1 Tl 0.30731 0.34315 0.04222 1.00000
Tl2 Tl 0.69269 0.65685 0.95778 1.00000
Tl3 Tl 0.07636 0.25979 0.58749 1.00000
Tl4 Tl 0.92364 0.74021 0.41251 1.00000
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