Ho3Mo(ClO3)2
Alexandria ALEXAlex-ID: agm004662012 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_216_spg12
HoMoO4 HoClO
2022-06-28 09:45:30.220781
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004662012).
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 agm004662012
data_agm004662012
_cell_length_a 5.47058
_cell_length_b 6.53473
_cell_length_c 6.59071
_cell_angle_alpha 119.71941
_cell_angle_beta 80.91803
_cell_angle_gamma 90.00000
_cell_volume 201.21018
_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 0.00000 0.50000 0.00000 1.00000
Ho2 Ho 0.50000 0.50000 0.50000 1.00000
Ho3 Ho 0.50000 0.00000 0.50000 1.00000
Mo1 Mo 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.14996 0.70631 0.41262 1.00000
Cl2 Cl 0.85004 0.29369 0.58738 1.00000
O1 O 0.70296 0.30035 0.11906 1.00000
O2 O 0.29704 0.69965 0.88094 1.00000
O3 O 0.66788 0.83167 0.66333 1.00000
O4 O 0.33212 0.16833 0.33667 1.00000
O5 O 0.29704 0.18129 0.88094 1.00000
O6 O 0.70296 0.81871 0.11906 1.00000
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