CeHo3V4O12
Alexandria ALEXAlex-ID: agm011668655 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_86_spg1
CeVO3 HoVO3
2024-05-04 19:54:06.700160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011668655).
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 agm011668655
data_agm011668655
_cell_length_a 7.68256
_cell_length_b 5.34843
_cell_length_c 5.74690
_cell_angle_alpha 89.70854
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 236.13504
_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
Ce1 Ce 0.00000 0.51964 0.43465 1.00000
Ho1 Ho 0.00000 0.97870 0.93110 1.00000
Ho2 Ho 0.50000 0.47937 0.57304 1.00000
Ho3 Ho 0.50000 0.01834 0.06668 1.00000
V1 V 0.74691 0.00092 0.49918 1.00000
V2 V 0.25185 0.49982 0.00140 1.00000
V3 V 0.25309 0.00092 0.49918 1.00000
V4 V 0.74815 0.49982 0.00140 1.00000
O1 O 0.68691 0.19572 0.80880 1.00000
O2 O 0.31040 0.30864 0.31282 1.00000
O3 O 0.19150 0.81118 0.18633 1.00000
O4 O 0.80511 0.69534 0.69428 1.00000
O5 O 0.80850 0.81118 0.18633 1.00000
O6 O 0.19489 0.69534 0.69428 1.00000
O7 O 0.31309 0.19572 0.80880 1.00000
O8 O 0.68960 0.30864 0.31282 1.00000
O9 O 0.00000 0.37690 0.04061 1.00000
O10 O 0.00000 0.10350 0.54732 1.00000
O11 O 0.50000 0.62232 0.95097 1.00000
O12 O 0.50000 0.87798 0.45004 1.00000
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