V20H2N17
Alexandria ALEXAlex-ID: agm006249753 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B17C20_0_spg12
V2HN V2N VN
2025-05-26 22:28:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006249753).
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 agm006249753
data_agm006249753
_cell_length_a 7.68185
_cell_length_b 7.68185
_cell_length_c 16.33785
_cell_angle_alpha 74.71233
_cell_angle_beta 105.28767
_cell_angle_gamma 158.35676
_cell_volume 342.53754
_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 0.30831 0.69169 0.07472 1.00000
V2 V 0.89575 0.10425 0.97463 1.00000
V3 V 0.49882 0.50118 0.88469 1.00000
V4 V 0.09673 0.90327 0.77016 1.00000
V5 V 0.69286 0.30714 0.67450 1.00000
V6 V 0.50082 0.49918 0.62533 1.00000
V7 V 0.09905 0.90095 0.53227 1.00000
V8 V 0.29988 0.70012 0.58044 1.00000
V9 V 0.70012 0.29988 0.41956 1.00000
V10 V 0.90095 0.09905 0.46773 1.00000
V11 V 0.49918 0.50082 0.37467 1.00000
V12 V 0.30714 0.69286 0.32550 1.00000
V13 V 0.10048 0.89952 0.27555 1.00000
V14 V 0.90327 0.09673 0.22984 1.00000
V15 V 0.50118 0.49882 0.11531 1.00000
V16 V 0.69592 0.30408 0.17565 1.00000
V17 V 0.10425 0.89575 0.02537 1.00000
V18 V 0.69169 0.30831 0.92528 1.00000
V19 V 0.30408 0.69592 0.82435 1.00000
V20 V 0.89952 0.10048 0.72445 1.00000
H1 H 0.09740 0.90260 0.65091 1.00000
H2 H 0.90260 0.09740 0.34909 1.00000
N1 N 0.09857 0.90143 0.40233 1.00000
N2 N 0.70562 0.29438 0.30013 1.00000
N3 N 0.30154 0.69846 0.19977 1.00000
N4 N 0.90457 0.09543 0.10111 1.00000
N5 N 0.09543 0.90457 0.89889 1.00000
N6 N 0.69846 0.30154 0.80023 1.00000
N7 N 0.90186 0.09814 0.85255 1.00000
N8 N 0.29438 0.70562 0.69987 1.00000
N9 N 0.49816 0.50184 0.75242 1.00000
N10 N 0.90143 0.09857 0.59767 1.00000
N11 N 0.69872 0.30128 0.54967 1.00000
N12 N 0.30128 0.69872 0.45033 1.00000
N13 N 0.50000 0.50000 0.50000 1.00000
N14 N 0.50184 0.49816 0.24758 1.00000
N15 N 0.09814 0.90186 0.14745 1.00000
N16 N 0.70317 0.29683 0.05169 1.00000
N17 N 0.29683 0.70317 0.94831 1.00000
