Nd2Th(AlPd2)3
Alexandria ALEXAlex-ID: agm024669067 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
NdAlPd2 ThAlPd2
2024-12-20 19:33:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024669067).
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 agm024669067
data_agm024669067
_cell_length_a 7.67200
_cell_length_b 7.67200
_cell_length_c 5.42934
_cell_angle_alpha 76.36412
_cell_angle_beta 103.63588
_cell_angle_gamma 59.96323
_cell_volume 243.93077
_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 0.33282 0.33282 0.00000 1.00000
Nd2 Nd 0.66718 0.66718 0.00000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.16846 0.16846 0.50000 1.00000
Al2 Al 0.83154 0.83154 0.50000 1.00000
Al3 Al 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.45017 0.87802 0.36563 1.00000
Pd2 Pd 0.20920 0.79080 0.64244 1.00000
Pd3 Pd 0.54983 0.12198 0.63437 1.00000
Pd4 Pd 0.12198 0.54983 0.36563 1.00000
Pd5 Pd 0.79080 0.20920 0.35756 1.00000
Pd6 Pd 0.87802 0.45017 0.63437 1.00000
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