HoErO4
Alexandria ALEXAlex-ID: agm002298071 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
ErO2 HoO2
2018-12-21 19:43:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002298071).
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 agm002298071
data_agm002298071
_cell_length_a 5.68903
_cell_length_b 5.68892
_cell_length_c 6.23424
_cell_angle_alpha 116.37882
_cell_angle_beta 116.38760
_cell_angle_gamma 91.89254
_cell_volume 155.10290
_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 0.09523 0.90454 0.24997 1.00000
Ho2 Ho 0.90448 0.09516 0.74989 1.00000
O1 O 0.73184 0.98379 0.96581 1.00000
O2 O 0.29618 0.54396 0.08922 1.00000
O3 O 0.54397 0.29626 0.58949 1.00000
O4 O 0.98395 0.73191 0.46595 1.00000
O5 O 0.01612 0.26770 0.53410 1.00000
O6 O 0.45618 0.70428 0.41033 1.00000
O7 O 0.70436 0.45619 0.91059 1.00000
O8 O 0.26777 0.01628 0.03424 1.00000
Er1 Er 0.34497 0.65494 0.75032 1.00000
Er2 Er 0.65495 0.34498 0.25010 1.00000
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