NdHo3Pd
Alexandria ALEXAlex-ID: agm005878281 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1266_spg15
Ho3Pd Nd
2023-07-05 11:02:12.543075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005878281).
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 agm005878281
data_agm005878281
_cell_length_a 6.11337
_cell_length_b 9.78355
_cell_length_c 9.78354
_cell_angle_alpha 85.41310
_cell_angle_beta 81.16943
_cell_angle_gamma 81.16944
_cell_volume 570.41405
_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 0.92974 0.07026 1.00000
Nd2 Nd 0.75000 0.07026 0.92974 1.00000
Nd3 Nd 0.25000 0.20152 0.79848 1.00000
Nd4 Nd 0.75000 0.79848 0.20152 1.00000
Ho1 Ho 0.71936 0.73845 0.85075 1.00000
Ho2 Ho 0.78064 0.14925 0.26155 1.00000
Ho3 Ho 0.28064 0.26155 0.14925 1.00000
Ho4 Ho 0.21936 0.85075 0.73845 1.00000
Ho5 Ho 0.77270 0.41307 0.99677 1.00000
Ho6 Ho 0.72730 0.00323 0.58693 1.00000
Ho7 Ho 0.22730 0.58693 0.00323 1.00000
Ho8 Ho 0.27270 0.99677 0.41307 1.00000
Ho9 Ho 0.51297 0.49757 0.68051 1.00000
Ho10 Ho 0.98703 0.31949 0.50243 1.00000
Ho11 Ho 0.48703 0.50243 0.31949 1.00000
Ho12 Ho 0.01297 0.68051 0.49757 1.00000
Pd1 Pd 0.01838 0.50174 0.73921 1.00000
Pd2 Pd 0.48162 0.26079 0.49826 1.00000
Pd3 Pd 0.98162 0.49826 0.26079 1.00000
Pd4 Pd 0.51838 0.73921 0.50174 1.00000
