Ho3TmV4O12
Alexandria ALEXAlex-ID: agm011671978 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_7_spg6
TmVO3 HoVO3
2024-04-08 10:03:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011671978).
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 agm011671978
data_agm011671978
_cell_length_a 7.62489
_cell_length_b 5.29867
_cell_length_c 5.72258
_cell_angle_alpha 89.96467
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 231.20251
_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 0.50000 0.97949 0.92893 1.00000
Ho2 Ho 0.00000 0.47904 0.57035 1.00000
Ho3 Ho 0.00000 0.02119 0.07135 1.00000
Tm1 Tm 0.50000 0.52193 0.42798 1.00000
V1 V 0.25081 0.00027 0.49991 1.00000
V2 V 0.74947 0.49970 0.99995 1.00000
V3 V 0.74919 0.00027 0.49991 1.00000
V4 V 0.25053 0.49970 0.99995 1.00000
O1 O 0.19007 0.19221 0.81260 1.00000
O2 O 0.81078 0.30693 0.31175 1.00000
O3 O 0.68819 0.80569 0.18899 1.00000
O4 O 0.31254 0.69185 0.68588 1.00000
O5 O 0.31181 0.80569 0.18899 1.00000
O6 O 0.68746 0.69185 0.68588 1.00000
O7 O 0.80993 0.19221 0.81260 1.00000
O8 O 0.18922 0.30693 0.31175 1.00000
O9 O 0.50000 0.37794 0.05237 1.00000
O10 O 0.50000 0.12677 0.54887 1.00000
O11 O 0.00000 0.62180 0.95056 1.00000
O12 O 0.00000 0.87853 0.45142 1.00000
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