Ho2Zr3N4
Alexandria ALEXAlex-ID: agm005690302 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Ho2ZrN3 Zr2N
2023-06-27 19:30:14.786992
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690302).
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 agm005690302
data_agm005690302
_cell_length_a 3.31150
_cell_length_b 5.76569
_cell_length_c 7.55848
_cell_angle_alpha 74.57925
_cell_angle_beta 77.34555
_cell_angle_gamma 73.31453
_cell_volume 131.66007
_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 0.60235 0.18690 0.60841 1.00000
Ho2 Ho 0.39765 0.81310 0.39159 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Zr2 Zr 0.21126 0.39515 0.18232 1.00000
Zr3 Zr 0.78874 0.60485 0.81768 1.00000
N1 N 0.79846 0.11033 0.29278 1.00000
N2 N 0.20154 0.88967 0.70722 1.00000
N3 N 0.39856 0.29921 0.90369 1.00000
N4 N 0.60144 0.70079 0.09631 1.00000
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