NaNi(AsPd)2
Alexandria ALEXAlex-ID: agm050205609 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_518_spg2
NaNi5As3 Na2As7Pd12 Na3(AsPd)2 Ni11As8
2025-04-16 02:43:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050205609).
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 agm050205609
data_agm050205609
_cell_length_a 4.54843
_cell_length_b 4.54843
_cell_length_c 7.21685
_cell_angle_alpha 77.18512
_cell_angle_beta 102.81488
_cell_angle_gamma 131.76171
_cell_volume 108.03038
_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 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.00000 0.00000 0.50000 1.00000
As1 As 0.64044 0.35956 0.71056 1.00000
As2 As 0.35956 0.64044 0.28944 1.00000
Pd1 Pd 0.67115 0.32885 0.34266 1.00000
Pd2 Pd 0.32885 0.67115 0.65734 1.00000
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