CaDyV4O12
Alexandria ALEXAlex-ID: agm005285158 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_99_spg38
CaV2O6 DyVO4 VO2
2023-05-07 16:23:30.376829
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005285158).
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 agm005285158
data_agm005285158
_cell_length_a 5.36176
_cell_length_b 5.36176
_cell_length_c 7.47003
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 93.91453
_cell_volume 214.25140
_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
Ca1 Ca 0.55195 0.44805 0.00000 1.00000
Dy1 Dy 0.97272 0.02728 0.50000 1.00000
V1 V 0.03255 0.48771 0.75295 1.00000
V2 V 0.03255 0.48771 0.24705 1.00000
V3 V 0.51229 0.96745 0.24705 1.00000
V4 V 0.51229 0.96745 0.75295 1.00000
O1 O 0.28419 0.30798 0.75063 1.00000
O2 O 0.69202 0.71581 0.75063 1.00000
O3 O 0.69202 0.71581 0.24937 1.00000
O4 O 0.28419 0.30798 0.24937 1.00000
O5 O 0.78381 0.21619 0.77868 1.00000
O6 O 0.18988 0.81012 0.70455 1.00000
O7 O 0.18988 0.81012 0.29545 1.00000
O8 O 0.78381 0.21619 0.22132 1.00000
O9 O 0.02268 0.54659 0.00000 1.00000
O10 O 0.96966 0.45331 0.50000 1.00000
O11 O 0.45341 0.97732 0.00000 1.00000
O12 O 0.54669 0.03034 0.50000 1.00000
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