Pm2HoN3
Alexandria ALEXAlex-ID: agm005660156 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
HoN PmN
2023-08-23 21:37:48.641752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005660156).
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 agm005660156
data_agm005660156
_cell_length_a 3.56564
_cell_length_b 3.56564
_cell_length_c 7.96793
_cell_angle_alpha 102.93447
_cell_angle_beta 102.93444
_cell_angle_gamma 89.97779
_cell_volume 96.09529
_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
Pm1 Pm 0.09818 0.09991 0.20203 1.00000
Pm2 Pm 0.77012 0.77186 0.54591 1.00000
Ho1 Ho 0.43427 0.43567 0.87397 1.00000
N1 N 0.93411 0.93579 0.87395 1.00000
N2 N 0.27271 0.27382 0.55069 1.00000
N3 N 0.59596 0.59707 0.19721 1.00000
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