Ho2H5N2
Alexandria ALEXAlex-ID: agm007346844 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1564_spg6
HoH3 H3N HoN
2024-02-10 14:46:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007346844).
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
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# CIF generated by HEAS from Alexandria entry agm007346844
data_agm007346844
_cell_length_a 3.52267
_cell_length_b 4.12322
_cell_length_c 6.05891
_cell_angle_alpha 86.09469
_cell_angle_beta 89.99352
_cell_angle_gamma 89.98159
_cell_volume 87.79970
_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 0.00016 0.09577 0.99430 1.00000
Ho2 Ho 0.00002 0.80019 0.48622 1.00000
H1 H 0.49999 0.33589 0.76650 1.00000
H2 H 0.50046 0.62586 0.16211 1.00000
H3 H 0.49968 0.23956 0.51458 1.00000
H4 H 0.99972 0.60903 0.84762 1.00000
H5 H 1.00000 0.31106 0.32967 1.00000
N1 N 0.49987 0.12635 0.67380 1.00000
N2 N 0.50011 0.85629 0.22521 1.00000
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