Y3Ho(BO3)4
Alexandria ALEXAlex-ID: agm011667580 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_60_spg2
HoBO3 YBO3
2024-04-06 16:41:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011667580).
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 agm011667580
data_agm011667580
_cell_length_a 5.01147
_cell_length_b 6.29543
_cell_length_c 8.04497
_cell_angle_alpha 106.65619
_cell_angle_beta 89.99790
_cell_angle_gamma 90.00027
_cell_volume 243.16402
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.00000 0.00000 0.50000 1.00000
Y3 Y 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
B1 B 0.49981 0.00018 0.24896 1.00000
B2 B 0.00004 0.50089 0.75052 1.00000
B3 B 0.50019 0.99982 0.75104 1.00000
B4 B 0.99996 0.49911 0.24948 1.00000
O1 O 0.77700 0.99992 0.24828 1.00000
O2 O 0.27701 0.49992 0.75017 1.00000
O3 O 0.86132 0.36183 0.61230 1.00000
O4 O 0.35979 0.86243 0.11071 1.00000
O5 O 0.36221 0.13808 0.38836 1.00000
O6 O 0.86217 0.64059 0.88883 1.00000
O7 O 0.22300 0.00008 0.75172 1.00000
O8 O 0.72299 0.50008 0.24983 1.00000
O9 O 0.13868 0.63817 0.38770 1.00000
O10 O 0.64021 0.13757 0.88929 1.00000
O11 O 0.63779 0.86192 0.61164 1.00000
O12 O 0.13783 0.35941 0.11117 1.00000
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