CeV2O7
Alexandria ALEXAlex-ID: agm012607147 · Space group: Pa-3 (#205)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_7_spg205
CeV2O7
2024-09-13 12:55:34.727788
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012607147).
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 agm012607147
data_agm012607147
_cell_length_a 9.38051
_cell_length_b 9.38051
_cell_length_c 9.38051
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 825.42878
_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 0.50000 0.00000 0.00000 1.00000
Ce2 Ce 0.00000 0.00000 0.50000 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.50000 0.50000 0.50000 1.00000
V1 V 0.88956 0.61044 0.38956 1.00000
V2 V 0.61044 0.38956 0.88956 1.00000
V3 V 0.38956 0.88956 0.61044 1.00000
V4 V 0.11044 0.11044 0.11044 1.00000
V5 V 0.11044 0.38956 0.61044 1.00000
V6 V 0.38956 0.61044 0.11044 1.00000
V7 V 0.61044 0.11044 0.38956 1.00000
V8 V 0.88956 0.88956 0.88956 1.00000
O1 O 0.00000 0.50000 0.50000 1.00000
O2 O 0.50000 0.50000 0.00000 1.00000
O3 O 0.50000 0.00000 0.50000 1.00000
O4 O 0.00000 0.00000 0.00000 1.00000
O5 O 0.43641 0.71380 0.58678 1.00000
O6 O 0.93641 0.78620 0.41322 1.00000
O7 O 0.56359 0.21380 0.91322 1.00000
O8 O 0.78620 0.41322 0.93641 1.00000
O9 O 0.91322 0.56359 0.21380 1.00000
O10 O 0.41322 0.93641 0.78620 1.00000
O11 O 0.71380 0.58678 0.43641 1.00000
O12 O 0.58678 0.43641 0.71380 1.00000
O13 O 0.93641 0.71380 0.91322 1.00000
O14 O 0.91322 0.93641 0.71380 1.00000
O15 O 0.71380 0.91322 0.93641 1.00000
O16 O 0.78620 0.08678 0.43641 1.00000
O17 O 0.41322 0.56359 0.28620 1.00000
O18 O 0.28620 0.41322 0.56359 1.00000
O19 O 0.58678 0.06359 0.21380 1.00000
O20 O 0.08678 0.43641 0.78620 1.00000
O21 O 0.21380 0.58678 0.06359 1.00000
O22 O 0.43641 0.78620 0.08678 1.00000
O23 O 0.06359 0.21380 0.58678 1.00000
O24 O 0.56359 0.28620 0.41322 1.00000
O25 O 0.06359 0.28620 0.08678 1.00000
O26 O 0.08678 0.06359 0.28620 1.00000
O27 O 0.28620 0.08678 0.06359 1.00000
O28 O 0.21380 0.91322 0.56359 1.00000
