Mg5TlPd6
Alexandria ALEXAlex-ID: agm006111086 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
Mg2TlPd5 Tl MgPd
2023-08-31 13:39:27.711450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111086).
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 agm006111086
data_agm006111086
_cell_length_a 4.53012
_cell_length_b 7.89181
_cell_length_c 7.89181
_cell_angle_alpha 120.03843
_cell_angle_beta 106.67932
_cell_angle_gamma 106.67931
_cell_volume 199.93928
_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
Mg1 Mg 0.50000 0.16553 0.83447 1.00000
Mg2 Mg 1.00000 0.33228 0.66773 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Mg4 Mg 0.00000 0.66772 0.33227 1.00000
Mg5 Mg 0.50000 0.83447 0.16553 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.25565 0.08520 0.42611 1.00000
Pd2 Pd 0.74435 0.57389 0.91480 1.00000
Pd3 Pd 0.76353 0.26354 0.26354 1.00000
Pd4 Pd 0.23647 0.73646 0.73646 1.00000
Pd5 Pd 0.25565 0.42611 0.08520 1.00000
Pd6 Pd 0.74435 0.91480 0.57389 1.00000
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