HoH11(ClO3)2
Alexandria ALEXAlex-ID: agm006700752 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D11_8_spg2
HoH2ClO2 HoH12(ClO2)3 H2O
2025-02-27 07:37:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006700752).
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 agm006700752
data_agm006700752
_cell_length_a 7.49776
_cell_length_b 8.34578
_cell_length_c 8.59322
_cell_angle_alpha 95.47432
_cell_angle_beta 114.58458
_cell_angle_gamma 101.39826
_cell_volume 469.71735
_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 0.12744 0.17104 0.68650 1.00000
Ho2 Ho 0.87256 0.82896 0.31350 1.00000
H1 H 0.93762 0.17874 0.31552 1.00000
H2 H 0.06238 0.82126 0.68448 1.00000
H3 H 0.90271 0.15575 0.90556 1.00000
H4 H 0.09729 0.84425 0.09444 1.00000
H5 H 0.81858 0.97389 0.78371 1.00000
H6 H 0.18142 0.02611 0.21629 1.00000
H7 H 0.56315 0.16401 0.91603 1.00000
H8 H 0.43685 0.83599 0.08397 1.00000
H9 H 0.44330 0.98243 0.79665 1.00000
H10 H 0.55670 0.01757 0.20335 1.00000
H11 H 0.40878 0.48013 0.65127 1.00000
H12 H 0.59122 0.51987 0.34873 1.00000
H13 H 0.38716 0.32144 0.52110 1.00000
H14 H 0.61284 0.67856 0.47890 1.00000
H15 H 0.79222 0.33983 0.53256 1.00000
H16 H 0.20778 0.66017 0.46744 1.00000
H17 H 0.96232 0.47376 0.70403 1.00000
H18 H 0.03768 0.52624 0.29597 1.00000
H19 H 0.33949 0.33342 0.06856 1.00000
H20 H 0.66051 0.66658 0.93144 1.00000
H21 H 0.25438 0.47392 0.96669 1.00000
H22 H 0.74562 0.52608 0.03331 1.00000
Cl1 Cl 0.14305 0.69035 0.91503 1.00000
Cl2 Cl 0.85695 0.30965 0.08497 1.00000
Cl3 Cl 0.52954 0.75031 0.68429 1.00000
Cl4 Cl 0.47046 0.24969 0.31571 1.00000
O1 O 0.96385 0.10398 0.39938 1.00000
O2 O 0.03615 0.89602 0.60062 1.00000
O3 O 0.92229 0.08059 0.82025 1.00000
O4 O 0.07771 0.91941 0.17975 1.00000
O5 O 0.42605 0.09083 0.83441 1.00000
O6 O 0.57395 0.90917 0.16559 1.00000
O7 O 0.35633 0.35752 0.61832 1.00000
O8 O 0.64367 0.64248 0.38168 1.00000
O9 O 0.93167 0.36605 0.62715 1.00000
O10 O 0.06833 0.63395 0.37285 1.00000
O11 O 0.28489 0.36450 0.95270 1.00000
O12 O 0.71511 0.63550 0.04730 1.00000
