VH10SeNO9
Alexandria ALEXAlex-ID: agm005280940 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD9E10_0_spg4
VHSe3O8 V3N2O7 SeN H2O N2
2023-05-25 08:08:49.025312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005280940).
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 agm005280940
data_agm005280940
_cell_length_a 10.09830
_cell_length_b 6.43669
_cell_length_c 6.97415
_cell_angle_alpha 71.01295
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 428.65327
_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 0.00038 0.38711 0.40979 1.00000
V2 V 0.50038 0.61289 0.59021 1.00000
H1 H 0.78273 0.23249 0.69666 1.00000
H2 H 0.28273 0.76751 0.30334 1.00000
H3 H 0.16266 0.86432 0.92383 1.00000
H4 H 0.66266 0.13568 0.07617 1.00000
H5 H 0.13783 0.02008 0.70465 1.00000
H6 H 0.63783 0.97992 0.29535 1.00000
H7 H 0.73790 0.32303 0.27110 1.00000
H8 H 0.23790 0.67697 0.72890 1.00000
H9 H 0.91248 0.20285 0.82373 1.00000
H10 H 0.41248 0.79715 0.17627 1.00000
H11 H 0.23366 0.45737 0.66397 1.00000
H12 H 0.73366 0.54263 0.33603 1.00000
H13 H 0.78354 0.79629 0.79501 1.00000
H14 H 0.28354 0.20371 0.20499 1.00000
H15 H 0.94983 0.75308 0.82679 1.00000
H16 H 0.44983 0.24692 0.17321 1.00000
H17 H 0.84090 0.60361 0.00305 1.00000
H18 H 0.34090 0.39639 0.99695 1.00000
H19 H 0.85225 0.56409 0.77442 1.00000
H20 H 0.35225 0.43591 0.22558 1.00000
Se1 Se 0.99806 0.93565 0.27788 1.00000
Se2 Se 0.49806 0.06435 0.72212 1.00000
N1 N 0.85684 0.67974 0.84885 1.00000
N2 N 0.35684 0.32026 0.15115 1.00000
O1 O 0.56635 0.53036 0.81807 1.00000
O2 O 0.06635 0.46964 0.18193 1.00000
O3 O 0.62934 0.68770 0.42862 1.00000
O4 O 0.12934 0.31230 0.57138 1.00000
O5 O 0.29265 0.55113 0.71829 1.00000
O6 O 0.79265 0.44887 0.28171 1.00000
O7 O 0.37043 0.69780 0.30095 1.00000
O8 O 0.87043 0.30220 0.69905 1.00000
O9 O 0.94627 0.08291 0.42718 1.00000
O10 O 0.44627 0.91709 0.57282 1.00000
O11 O 0.96425 0.67971 0.43984 1.00000
O12 O 0.46425 0.32029 0.56016 1.00000
O13 O 0.90829 0.99421 0.07021 1.00000
O14 O 0.40829 0.00579 0.92979 1.00000
O15 O 0.65948 0.03727 0.76940 1.00000
O16 O 0.15948 0.96273 0.23060 1.00000
O17 O 0.13388 0.86277 0.79036 1.00000
O18 O 0.63388 0.13723 0.20964 1.00000
