Ba2YHoO5
Alexandria ALEXAlex-ID: agm005150176 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
BaHo2O4 BaY2O4 BaO
2023-01-17 19:53:41.833807
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005150176).
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 agm005150176
data_agm005150176
_cell_length_a 3.68397
_cell_length_b 7.43451
_cell_length_c 12.39692
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.34508
_cell_volume 328.94704
_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
Ba1 Ba 0.84868 0.69736 0.79088 1.00000
Ba2 Ba 0.08983 0.17966 0.67313 1.00000
Ba3 Ba 0.15132 0.30264 0.29088 1.00000
Ba4 Ba 0.91017 0.82034 0.17313 1.00000
Y1 Y 0.53285 0.06570 0.95234 1.00000
Y2 Y 0.46715 0.93430 0.45234 1.00000
Ho1 Ho 0.77443 0.54885 0.52224 1.00000
Ho2 Ho 0.22557 0.45115 0.02224 1.00000
O1 O 0.37912 0.75825 0.00216 1.00000
O2 O 0.69377 0.38754 0.91373 1.00000
O3 O 0.49155 0.98310 0.78457 1.00000
O4 O 0.26936 0.53872 0.64630 1.00000
O5 O 0.93563 0.87125 0.53863 1.00000
O6 O 0.62088 0.24175 0.50216 1.00000
O7 O 0.30623 0.61246 0.41373 1.00000
O8 O 0.50845 0.01690 0.28457 1.00000
O9 O 0.73064 0.46128 0.14630 1.00000
O10 O 0.06437 0.12875 0.03863 1.00000
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