Nd2Ho5Zr
Alexandria ALEXAlex-ID: agm012864535 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_325_spg55
Nd2Ho7 NdHo2 Zr
2024-06-28 12:08:31.245198
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012864535).
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 agm012864535
data_agm012864535
_cell_length_a 7.10075
_cell_length_b 11.31741
_cell_length_c 12.20889
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 981.13239
_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 0.50000 0.50093 0.25100 1.00000
Nd2 Nd 0.50000 0.49907 0.74900 1.00000
Nd3 Nd 0.50000 0.99907 0.75100 1.00000
Nd4 Nd 0.50000 0.00093 0.24900 1.00000
Nd5 Nd 0.24063 0.50000 0.00000 1.00000
Nd6 Nd 0.75937 0.00000 0.50000 1.00000
Nd7 Nd 0.75937 0.50000 0.00000 1.00000
Nd8 Nd 0.24063 0.00000 0.50000 1.00000
Ho1 Ho 0.23985 0.75121 0.16930 1.00000
Ho2 Ho 0.23985 0.24879 0.83070 1.00000
Ho3 Ho 0.76015 0.74879 0.66930 1.00000
Ho4 Ho 0.76015 0.25121 0.33070 1.00000
Ho5 Ho 0.76015 0.24879 0.83070 1.00000
Ho6 Ho 0.76015 0.75121 0.16930 1.00000
Ho7 Ho 0.23985 0.25121 0.33070 1.00000
Ho8 Ho 0.23985 0.74879 0.66930 1.00000
Ho9 Ho 0.00000 0.74828 0.41020 1.00000
Ho10 Ho 0.00000 0.25172 0.58980 1.00000
Ho11 Ho 0.00000 0.75172 0.91020 1.00000
Ho12 Ho 0.00000 0.24828 0.08980 1.00000
Ho13 Ho 0.50000 0.74896 0.42018 1.00000
Ho14 Ho 0.50000 0.25104 0.57982 1.00000
Ho15 Ho 0.50000 0.75104 0.92018 1.00000
Ho16 Ho 0.50000 0.24896 0.07982 1.00000
Ho17 Ho 0.23791 0.50000 0.50000 1.00000
Ho18 Ho 0.76209 0.00000 0.00000 1.00000
Ho19 Ho 0.76209 0.50000 0.50000 1.00000
Ho20 Ho 0.23791 0.00000 0.00000 1.00000
Zr1 Zr 0.00000 0.00149 0.24652 1.00000
Zr2 Zr 0.00000 0.99851 0.75348 1.00000
Zr3 Zr 0.00000 0.49851 0.74652 1.00000
Zr4 Zr 0.00000 0.50149 0.25348 1.00000
