HoCr2O2
Alexandria ALEXAlex-ID: agm005283068 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1035_spg141
HoCrO3 Ho2O3 Cr
2023-05-08 08:10:26.970626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283068).
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 agm005283068
data_agm005283068
_cell_length_a 7.91031
_cell_length_b 7.91031
_cell_length_c 7.91031
_cell_angle_alpha 110.99417
_cell_angle_beta 110.99417
_cell_angle_gamma 106.46647
_cell_volume 380.24865
_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 0.87500 0.12500 0.25000 1.00000
Ho2 Ho 0.87500 0.62500 0.75000 1.00000
Ho3 Ho 0.87500 0.12500 0.75000 1.00000
Ho4 Ho 0.37500 0.12500 0.25000 1.00000
Cr1 Cr 0.23378 0.04245 0.80866 1.00000
Cr2 Cr 0.23378 0.42512 0.19134 1.00000
Cr3 Cr 0.79245 0.48378 0.30866 1.00000
Cr4 Cr 0.51622 0.82488 0.30866 1.00000
Cr5 Cr 0.51622 0.20755 0.69134 1.00000
Cr6 Cr 0.17512 0.48378 0.69134 1.00000
Cr7 Cr 0.95755 0.76622 0.19134 1.00000
Cr8 Cr 0.57488 0.76622 0.80866 1.00000
O1 O 0.08056 0.73424 0.65368 1.00000
O2 O 0.08056 0.42687 0.34632 1.00000
O3 O 0.48424 0.33056 0.15368 1.00000
O4 O 0.66944 0.82313 0.15368 1.00000
O5 O 0.66944 0.51576 0.84632 1.00000
O6 O 0.17687 0.33056 0.84632 1.00000
O7 O 0.26576 0.91944 0.34632 1.00000
O8 O 0.57313 0.91944 0.65368 1.00000
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