Ho2(SO4)3
Alexandria ALEXAlex-ID: agm007972011 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C12_21_spg15
Ho2(SO4)3
2024-12-19 14:28:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007972011).
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 agm007972011
data_agm007972011
_cell_length_a 11.04271
_cell_length_b 11.04271
_cell_length_c 6.93169
_cell_angle_alpha 72.93155
_cell_angle_beta 107.06845
_cell_angle_gamma 145.37845
_cell_volume 456.97791
_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 0.98099 0.71316 0.65327 1.00000
Ho2 Ho 0.01901 0.28684 0.34673 1.00000
Ho3 Ho 0.71316 0.98099 0.84673 1.00000
Ho4 Ho 0.28684 0.01901 0.15327 1.00000
S1 S 0.12942 0.49173 0.80407 1.00000
S2 S 0.87058 0.50827 0.19593 1.00000
S3 S 0.49173 0.12942 0.69593 1.00000
S4 S 0.50827 0.87058 0.30407 1.00000
S5 S 0.84559 0.84559 0.25000 1.00000
S6 S 0.15441 0.15441 0.75000 1.00000
O1 O 0.03208 0.33050 0.98981 1.00000
O2 O 0.96792 0.66950 0.01019 1.00000
O3 O 0.33050 0.03208 0.51019 1.00000
O4 O 0.66950 0.96792 0.48981 1.00000
O5 O 0.98870 0.64155 0.36672 1.00000
O6 O 0.01130 0.35845 0.63328 1.00000
O7 O 0.64155 0.98870 0.13328 1.00000
O8 O 0.35845 0.01130 0.86672 1.00000
O9 O 0.65060 0.35914 0.68301 1.00000
O10 O 0.34940 0.64086 0.31699 1.00000
O11 O 0.35914 0.65060 0.81699 1.00000
O12 O 0.64086 0.34940 0.18301 1.00000
O13 O 0.09256 0.59552 0.78577 1.00000
O14 O 0.90744 0.40448 0.21423 1.00000
O15 O 0.59552 0.09256 0.71423 1.00000
O16 O 0.40448 0.90744 0.28577 1.00000
O17 O 0.02839 0.93150 0.19459 1.00000
O18 O 0.97161 0.06850 0.80541 1.00000
O19 O 0.93150 0.02839 0.30541 1.00000
O20 O 0.06850 0.97161 0.69459 1.00000
O21 O 0.75515 0.67884 0.42188 1.00000
O22 O 0.24485 0.32116 0.57812 1.00000
O23 O 0.67884 0.75515 0.07812 1.00000
O24 O 0.32116 0.24485 0.92188 1.00000
