Nd2TlPd3
Alexandria ALEXAlex-ID: agm003420719 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_769_spg69
Nd2TlPd2 NdTlPd Nd8TlPd24
2022-02-13 21:52:09.367154
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003420719).
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 agm003420719
data_agm003420719
_cell_length_a 6.02420
_cell_length_b 6.02420
_cell_length_c 8.75478
_cell_angle_alpha 104.45375
_cell_angle_beta 104.45375
_cell_angle_gamma 105.93415
_cell_volume 278.04097
_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
Nd1 Nd 0.25000 0.75000 0.50000 1.00000
Nd2 Nd 0.75657 0.75657 0.00000 1.00000
Nd3 Nd 0.75000 0.25000 0.50000 1.00000
Nd4 Nd 0.24343 0.24343 0.00000 1.00000
Tl1 Tl 0.66807 0.66807 0.33613 1.00000
Tl2 Tl 0.33193 0.33193 0.66387 1.00000
Pd1 Pd 0.33710 0.83235 0.16945 1.00000
Pd2 Pd 0.16765 0.66290 0.83055 1.00000
Pd3 Pd 0.66290 0.16765 0.83055 1.00000
Pd4 Pd 0.83235 0.33710 0.16945 1.00000
Pd5 Pd 0.16080 0.16080 0.32159 1.00000
Pd6 Pd 0.83920 0.83920 0.67841 1.00000
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