Ho3ReO8
Alexandria ALEXAlex-ID: agm003232113 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_63_spg11
Ho(ReO4)3 Ho2O3
2021-12-11 10:48:18.911831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003232113).
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 agm003232113
data_agm003232113
_cell_length_a 6.27213
_cell_length_b 7.17337
_cell_length_c 7.17395
_cell_angle_alpha 68.12090
_cell_angle_beta 90.00019
_cell_angle_gamma 89.99996
_cell_volume 299.52421
_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 0.25000 0.33234 0.89197 1.00000
Ho2 Ho 0.75000 0.59368 0.59364 1.00000
Ho3 Ho 0.75000 0.10803 0.66759 1.00000
Ho4 Ho 0.25000 0.89197 0.33241 1.00000
Ho5 Ho 0.25000 0.40632 0.40636 1.00000
Ho6 Ho 0.75000 0.66766 0.10803 1.00000
Re1 Re 0.25000 0.81970 0.81970 1.00000
Re2 Re 0.75000 0.18030 0.18030 1.00000
O1 O 0.75000 0.42905 0.95741 1.00000
O2 O 0.94956 0.81349 0.81342 1.00000
O3 O 0.55044 0.81349 0.81342 1.00000
O4 O 0.75000 0.02542 0.02562 1.00000
O5 O 0.25000 0.65613 0.65618 1.00000
O6 O 0.00001 0.32883 0.67114 1.00000
O7 O 0.49999 0.32883 0.67114 1.00000
O8 O 0.75000 0.95742 0.42909 1.00000
O9 O 0.25000 0.04258 0.57091 1.00000
O10 O 0.99999 0.67117 0.32886 1.00000
O11 O 0.50001 0.67117 0.32886 1.00000
O12 O 0.75000 0.34387 0.34382 1.00000
O13 O 0.25000 0.97458 0.97438 1.00000
O14 O 0.05044 0.18651 0.18658 1.00000
O15 O 0.44956 0.18651 0.18658 1.00000
O16 O 0.25000 0.57095 0.04259 1.00000
