PrHo3V4O12
Alexandria ALEXAlex-ID: agm011682103 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_86_spg1
HoVO3 PrVO3
2024-04-08 10:21:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011682103).
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 agm011682103
data_agm011682103
_cell_length_a 7.68836
_cell_length_b 5.36111
_cell_length_c 5.75388
_cell_angle_alpha 89.91595
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 237.16392
_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
Pr1 Pr 0.50000 0.51736 0.56321 1.00000
Ho1 Ho 0.50000 0.97893 0.06916 1.00000
Ho2 Ho 0.00000 0.48013 0.42696 1.00000
Ho3 Ho 0.00000 0.01959 0.93218 1.00000
V1 V 0.75407 0.99897 0.49987 1.00000
V2 V 0.24716 0.50151 0.99954 1.00000
V3 V 0.24593 0.99897 0.49987 1.00000
V4 V 0.75284 0.50151 0.99954 1.00000
O1 O 0.81351 0.19904 0.19074 1.00000
O2 O 0.18871 0.30421 0.68772 1.00000
O3 O 0.30587 0.81030 0.81621 1.00000
O4 O 0.70026 0.70099 0.30212 1.00000
O5 O 0.69413 0.81030 0.81621 1.00000
O6 O 0.29974 0.70099 0.30212 1.00000
O7 O 0.18649 0.19904 0.19074 1.00000
O8 O 0.81129 0.30421 0.68772 1.00000
O9 O 0.50000 0.38076 0.96840 1.00000
O10 O 0.50000 0.09539 0.45225 1.00000
O11 O 0.00000 0.62030 0.04495 1.00000
O12 O 0.00000 0.87752 0.55045 1.00000
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