Th3Ni2(As2Pd)2
Alexandria ALEXAlex-ID: agm024643789 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_9_spg164
Th3As4Pd3 Th3Ni3As4 Th3As4Pd7
2025-03-12 01:53:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024643789).
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 agm024643789
data_agm024643789
_cell_length_a 4.18471
_cell_length_b 4.18471
_cell_length_c 14.75698
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 223.79942
_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
Th1 Th 0.00000 0.00000 0.72653 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Th3 Th 0.00000 0.00000 0.27347 1.00000
Ni1 Ni 0.66667 0.33333 0.86968 1.00000
Ni2 Ni 0.33333 0.66667 0.13032 1.00000
As1 As 0.66667 0.33333 0.13830 1.00000
As2 As 0.33333 0.66667 0.86170 1.00000
As3 As 0.66667 0.33333 0.61187 1.00000
As4 As 0.33333 0.66667 0.38813 1.00000
Pd1 Pd 0.66667 0.33333 0.43781 1.00000
Pd2 Pd 0.33333 0.66667 0.56219 1.00000
Get direct link