Ho4ZrN4
Alexandria ALEXAlex-ID: agm003597503 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_0_spg121
Ho5ZrN6 Zr2N Ho
2022-04-05 04:08:56.346613
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003597503).
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 agm003597503
data_agm003597503
_cell_length_a 5.68562
_cell_length_b 5.68562
_cell_length_c 6.56325
_cell_angle_alpha 115.66700
_cell_angle_beta 115.66700
_cell_angle_gamma 90.00000
_cell_volume 167.70166
_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
Ho1 Ho 0.50000 0.00000 0.00000 1.00000
Ho2 Ho 0.00000 0.50000 0.00000 1.00000
Ho3 Ho 0.29088 0.29088 0.58175 1.00000
Ho4 Ho 0.70912 0.70912 0.41825 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
N1 N 0.65767 0.65767 0.76339 1.00000
N2 N 0.34233 0.89428 0.23661 1.00000
N3 N 0.10572 0.10572 0.76339 1.00000
N4 N 0.89428 0.34233 0.23661 1.00000
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