HoHCl3
Alexandria ALEXAlex-ID: agm005801318 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6023_spg13
HoH2Cl3 HoCl3
2023-07-04 04:02:15.896067
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005801318).
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 agm005801318
data_agm005801318
_cell_length_a 7.14510
_cell_length_b 7.28183
_cell_length_c 12.23586
_cell_angle_alpha 74.15871
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 612.44686
_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 0.75006 0.08323 0.91635 1.00000
Ho2 Ho 0.24994 0.58323 0.41635 1.00000
Ho3 Ho 0.75006 0.41677 0.58365 1.00000
Ho4 Ho 0.24994 0.91677 0.08365 1.00000
H1 H 0.24527 0.20531 0.74011 1.00000
H2 H 0.24527 0.29469 0.75989 1.00000
H3 H 0.75473 0.70531 0.24011 1.00000
H4 H 0.75473 0.79469 0.25989 1.00000
Cl1 Cl 0.98637 0.70495 0.53395 1.00000
Cl2 Cl 0.01363 0.20495 0.03395 1.00000
Cl3 Cl 0.25006 0.55492 0.20509 1.00000
Cl4 Cl 0.48508 0.81700 0.94420 1.00000
Cl5 Cl 0.74994 0.05492 0.70509 1.00000
Cl6 Cl 0.01363 0.29505 0.46605 1.00000
Cl7 Cl 0.48508 0.68300 0.55580 1.00000
Cl8 Cl 0.25006 0.94508 0.29491 1.00000
Cl9 Cl 0.51492 0.18300 0.05580 1.00000
Cl10 Cl 0.74994 0.44508 0.79491 1.00000
Cl11 Cl 0.98637 0.79505 0.96605 1.00000
Cl12 Cl 0.51492 0.31700 0.44420 1.00000
