Ac4TlGe2
Alexandria ALEXAlex-ID: agm005926331 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_39_spg122
Ac5Tl3 Ac5Tl4 Ac4Ge3
2023-09-25 19:34:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005926331).
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 agm005926331
data_agm005926331
_cell_length_a 8.58482
_cell_length_b 8.58485
_cell_length_c 8.58433
_cell_angle_alpha 109.39325
_cell_angle_beta 109.39314
_cell_angle_gamma 109.63077
_cell_volume 486.99813
_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 0.74211 0.99619 0.60844 1.00000
Ac2 Ac 0.50798 0.61645 0.75412 1.00000
Ac3 Ac 0.38776 0.13368 0.39156 1.00000
Ac4 Ac 0.86630 0.25788 0.25405 1.00000
Ac5 Ac 0.00383 0.61226 0.74596 1.00000
Ac6 Ac 0.86235 0.75388 0.24590 1.00000
Ac7 Ac 0.24615 0.49200 0.10848 1.00000
Ac8 Ac 0.38353 0.13767 0.89151 1.00000
Ge1 Ge 0.62516 0.50224 0.37711 1.00000
Ge2 Ge 0.12512 0.24804 0.62287 1.00000
Ge3 Ge 0.75196 0.37485 0.87710 1.00000
Ge4 Ge 0.49774 0.87485 0.12290 1.00000
Tl1 Tl 0.25000 0.75000 0.50000 1.00000
Tl2 Tl 1.00000 0.00000 1.00000 1.00000
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