V6H3N
Alexandria ALEXAlex-ID: agm003575643 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_306_spg36
V3H2N V3H2 V2N
2022-03-29 08:12:33.163260
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003575643).
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 agm003575643
data_agm003575643
_cell_length_a 4.24574
_cell_length_b 6.96733
_cell_length_c 6.96733
_cell_angle_alpha 107.21130
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 196.87427
_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 0.15970 0.71996 0.60138 1.00000
V2 V 0.65970 0.60138 0.71996 1.00000
V3 V 0.16079 0.49858 0.89680 1.00000
V4 V 0.66079 0.89680 0.49858 1.00000
V5 V 0.17862 0.05528 0.94472 1.00000
V6 V 0.66998 0.21411 0.78589 1.00000
V7 V 0.16998 0.78589 0.21411 1.00000
V8 V 0.67862 0.94472 0.05528 1.00000
V9 V 0.16079 0.10320 0.50142 1.00000
V10 V 0.66079 0.50142 0.10320 1.00000
V11 V 0.15970 0.39862 0.28004 1.00000
V12 V 0.65970 0.28004 0.39862 1.00000
H1 H 0.49448 0.87674 0.76491 1.00000
H2 H 0.99448 0.76491 0.87674 1.00000
H3 H 0.34082 0.45537 0.54463 1.00000
H4 H 0.84082 0.54463 0.45537 1.00000
H5 H 0.99448 0.12326 0.23509 1.00000
H6 H 0.49448 0.23509 0.12326 1.00000
N1 N 0.16599 0.22436 0.77564 1.00000
N2 N 0.66599 0.77564 0.22436 1.00000
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