HoLuO4
Alexandria ALEXAlex-ID: agm002298074 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
LuO2 HoO2
2018-12-21 20:25:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002298074).
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
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# CIF generated by HEAS from Alexandria entry agm002298074
data_agm002298074
_cell_length_a 5.62352
_cell_length_b 5.65430
_cell_length_c 6.22936
_cell_angle_alpha 115.35881
_cell_angle_beta 118.73164
_cell_angle_gamma 88.50661
_cell_volume 152.85749
_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
Lu1 Lu 0.34440 0.56878 0.72806 1.00000
Lu2 Lu 0.65563 0.43116 0.27191 1.00000
Ho1 Ho 0.09389 0.84204 0.24650 1.00000
Ho2 Ho 0.90615 0.15792 0.75352 1.00000
O1 O 0.68570 0.92024 0.86934 1.00000
O2 O 0.25951 0.52021 0.01437 1.00000
O3 O 0.47245 0.23081 0.44827 1.00000
O4 O 0.02651 0.77417 0.55483 1.00000
O5 O 0.97349 0.22573 0.44516 1.00000
O6 O 0.52754 0.76930 0.55172 1.00000
O7 O 0.74058 0.47979 0.98563 1.00000
O8 O 0.31415 0.07984 0.13068 1.00000
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