Ca2Dy2V3FeO12
Alexandria ALEXAlex-ID: agm010743384 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
CaVO3 DyVO4 DyVO3 Dy2O3 FeO
2024-04-07 21:28:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010743384).
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 agm010743384
data_agm010743384
_cell_length_a 5.36071
_cell_length_b 5.64799
_cell_length_c 7.60719
_cell_angle_alpha 89.88442
_cell_angle_beta 90.34699
_cell_angle_gamma 90.22860
_cell_volume 230.31834
_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 0.51542 0.44642 0.75356 1.00000
Ca2 Ca 0.01634 0.06051 0.24796 1.00000
Dy1 Dy 0.97506 0.92388 0.75611 1.00000
Dy2 Dy 0.48113 0.56682 0.24587 1.00000
V1 V 0.50299 0.00139 0.50247 1.00000
V2 V 0.00623 0.49405 0.49911 1.00000
V3 V 0.49883 0.00703 0.00199 1.00000
Fe1 Fe 0.99834 0.49385 0.00137 1.00000
O1 O 0.79009 0.17583 0.94826 1.00000
O2 O 0.70369 0.71335 0.55305 1.00000
O3 O 0.20902 0.78915 0.44103 1.00000
O4 O 0.31908 0.30558 0.05145 1.00000
O5 O 0.21839 0.81709 0.04221 1.00000
O6 O 0.30800 0.30357 0.44453 1.00000
O7 O 0.80608 0.19006 0.55854 1.00000
O8 O 0.69574 0.71042 0.95388 1.00000
O9 O 0.38895 0.02987 0.73868 1.00000
O10 O 0.08994 0.53198 0.73315 1.00000
O11 O 0.59072 0.97088 0.25822 1.00000
O12 O 0.88596 0.46827 0.26856 1.00000
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