HoTiCr2O6
Alexandria ALEXAlex-ID: agm004947643 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Ho2Ti2O7 Cr2O3 Cr
2022-07-31 10:52:48.550419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004947643).
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 agm004947643
data_agm004947643
_cell_length_a 5.32166
_cell_length_b 5.29368
_cell_length_c 5.61699
_cell_angle_alpha 63.81369
_cell_angle_beta 64.09464
_cell_angle_gamma 58.91169
_cell_volume 117.01710
_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 0.79425 0.80038 0.59145 1.00000
Ti1 Ti 0.31344 0.31273 0.05032 1.00000
Cr1 Cr 0.51558 0.52655 0.43745 1.00000
Cr2 Cr 0.01211 0.01248 0.96529 1.00000
O1 O 0.60771 0.22462 0.23052 1.00000
O2 O 0.23443 0.94203 0.22726 1.00000
O3 O 0.96554 0.60591 0.22372 1.00000
O4 O 0.37776 0.72107 0.75458 1.00000
O5 O 0.71768 0.14397 0.75587 1.00000
O6 O 0.12309 0.37188 0.77875 1.00000
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