ErV3O9
Alexandria ALEXAlex-ID: agm005998845 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_273_spg15
ErV3O9
2023-08-10 11:35:16.183763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998845).
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 agm005998845
data_agm005998845
_cell_length_a 7.44672
_cell_length_b 8.46976
_cell_length_c 9.56477
_cell_angle_alpha 73.76833
_cell_angle_beta 67.09037
_cell_angle_gamma 63.92125
_cell_volume 494.80705
_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
Er1 Er 0.00327 0.50043 0.99474 1.00000
Er2 Er 0.50157 0.00043 0.49474 1.00000
V1 V 0.78906 0.55202 0.66758 1.00000
V2 V 0.99133 0.05202 0.16758 1.00000
V3 V 0.01218 0.94926 0.82176 1.00000
V4 V 0.21680 0.44926 0.32176 1.00000
V5 V 0.54848 0.25016 0.74378 1.00000
V6 V 0.45757 0.75016 0.24378 1.00000
O1 O 0.34999 0.22781 0.33835 1.00000
O2 O 0.08385 0.72781 0.83835 1.00000
O3 O 0.31994 0.30429 0.88802 1.00000
O4 O 0.48775 0.80429 0.38802 1.00000
O5 O 0.18714 0.01712 0.66961 1.00000
O6 O 0.12613 0.51712 0.16961 1.00000
O7 O 0.68693 0.69794 0.10017 1.00000
O8 O 0.51496 0.19794 0.60017 1.00000
O9 O 0.81593 0.98532 0.32031 1.00000
O10 O 0.87843 0.48532 0.82031 1.00000
O11 O 0.65153 0.77286 0.65183 1.00000
O12 O 0.92378 0.27286 0.15183 1.00000
O13 O 0.38117 0.56195 0.30600 1.00000
O14 O 0.75088 0.06195 0.80600 1.00000
O15 O 0.62967 0.43577 0.68090 1.00000
O16 O 0.25366 0.93577 0.18090 1.00000
O17 O 0.99902 0.00256 0.99477 1.00000
O18 O 0.00365 0.50256 0.49477 1.00000
