V3PtO9
Alexandria ALEXAlex-ID: agm005994904 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_33_spg9
V2O5 VPtO4
2023-08-10 10:57:48.098280
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994904).
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 agm005994904
data_agm005994904
_cell_length_a 7.11438
_cell_length_b 7.95266
_cell_length_c 9.00425
_cell_angle_alpha 74.03048
_cell_angle_beta 66.73050
_cell_angle_gamma 63.42973
_cell_volume 415.56343
_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 0.78154 0.56280 0.67640 1.00000
V2 V 0.97926 0.06280 0.17640 1.00000
V3 V 0.03108 0.93382 0.80625 1.00000
V4 V 0.22885 0.43382 0.30625 1.00000
V5 V 0.52809 0.24926 0.74495 1.00000
V6 V 0.47770 0.74926 0.24495 1.00000
Pt1 Pt 0.00230 0.50082 0.99460 1.00000
Pt2 Pt 0.50229 0.00082 0.49460 1.00000
O1 O 0.37289 0.18907 0.32595 1.00000
O2 O 0.11209 0.68907 0.82595 1.00000
O3 O 0.29123 0.28746 0.91280 1.00000
O4 O 0.50851 0.78746 0.41280 1.00000
O5 O 0.19767 0.03736 0.64697 1.00000
O6 O 0.11800 0.53736 0.14697 1.00000
O7 O 0.71685 0.71525 0.07918 1.00000
O8 O 0.48872 0.21525 0.57918 1.00000
O9 O 0.80597 0.97475 0.34066 1.00000
O10 O 0.87862 0.47475 0.84066 1.00000
O11 O 0.63221 0.80375 0.66538 1.00000
O12 O 0.89866 0.30375 0.16538 1.00000
O13 O 0.40914 0.55208 0.29634 1.00000
O14 O 0.74244 0.05208 0.79634 1.00000
O15 O 0.60503 0.44672 0.69130 1.00000
O16 O 0.25695 0.94672 0.19130 1.00000
O17 O 0.99886 0.00435 0.99708 1.00000
O18 O 0.99970 0.50435 0.49708 1.00000
