Na4TlPd2
Alexandria ALEXAlex-ID: agm096634839 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1843_spg2
Na2TlPd3 NaTlPd Na
2025-04-10 22:44:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096634839).
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 agm096634839
data_agm096634839
_cell_length_a 5.35382
_cell_length_b 3.15689
_cell_length_c 10.01967
_cell_angle_alpha 90.00000
_cell_angle_beta 89.08717
_cell_angle_gamma 90.00000
_cell_volume 169.32525
_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 0.07836 0.00000 0.80232 1.00000
Na2 Na 0.30248 0.50000 0.30456 1.00000
Na3 Na 0.58473 0.50000 0.59305 1.00000
Na4 Na 0.81869 0.00000 0.25693 1.00000
Tl1 Tl 0.57100 0.50000 0.97709 1.00000
Pd1 Pd 0.07025 0.50000 0.04672 1.00000
Pd2 Pd 0.07448 0.00000 0.51932 1.00000
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