VAsO5
Alexandria ALEXAlex-ID: agm005741398 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_2_spg62
VAsO5
2023-07-14 22:03:17.277620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005741398).
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 agm005741398
data_agm005741398
_cell_length_a 5.29643
_cell_length_b 6.58707
_cell_length_c 11.33786
_cell_angle_alpha 90.00257
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00001
_cell_volume 395.55487
_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
V1 V 0.78973 0.33701 0.94057 1.00000
V2 V 0.28973 0.66299 0.05943 1.00000
V3 V 0.78979 0.16297 0.44056 1.00000
V4 V 0.28979 0.83703 0.55944 1.00000
As1 As 0.74470 0.96873 0.15371 1.00000
As2 As 0.24470 0.03127 0.84629 1.00000
As3 As 0.74474 0.53128 0.65372 1.00000
As4 As 0.24474 0.46872 0.34628 1.00000
O1 O 0.76631 0.29543 0.59182 1.00000
O2 O 0.26631 0.70457 0.40818 1.00000
O3 O 0.76628 0.20461 0.09186 1.00000
O4 O 0.26628 0.79539 0.90814 1.00000
O5 O 0.76757 0.99887 0.30311 1.00000
O6 O 0.26757 0.00113 0.69689 1.00000
O7 O 0.76751 0.50104 0.80311 1.00000
O8 O 0.26751 0.49896 0.19689 1.00000
O9 O 0.44974 0.29494 0.39686 1.00000
O10 O 0.94974 0.70506 0.60314 1.00000
O11 O 0.43468 0.61539 0.63267 1.00000
O12 O 0.93468 0.38461 0.36733 1.00000
O13 O 0.43462 0.88466 0.13265 1.00000
O14 O 0.93462 0.11534 0.86735 1.00000
O15 O 0.44967 0.20501 0.89694 1.00000
O16 O 0.94967 0.79499 0.10306 1.00000
O17 O 0.54736 0.96229 0.51328 1.00000
O18 O 0.04736 0.03771 0.48672 1.00000
O19 O 0.54732 0.53772 0.01328 1.00000
O20 O 0.04732 0.46228 0.98672 1.00000
