H15N4
Alexandria ALEXAlex-ID: agm073025142 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_10_spg220
H9N H3N
2024-10-20 19:49:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073025142).
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 agm073025142
data_agm073025142
_cell_length_a 7.92522
_cell_length_b 7.92522
_cell_length_c 7.92522
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 383.18810
_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
H1 H 0.11133 0.74753 0.63711 1.00000
H2 H 0.25000 0.12500 0.87500 1.00000
H3 H 0.75247 0.86380 0.88958 1.00000
H4 H 0.86380 0.88958 0.75247 1.00000
H5 H 0.47421 0.86289 0.61042 1.00000
H6 H 0.13620 0.52579 0.88867 1.00000
H7 H 0.38867 0.02579 0.63620 1.00000
H8 H 0.38958 0.36380 0.25247 1.00000
H9 H 0.52579 0.88867 0.13620 1.00000
H10 H 0.02579 0.63620 0.38867 1.00000
H11 H 0.63711 0.11133 0.74753 1.00000
H12 H 0.61133 0.13711 0.24753 1.00000
H13 H 0.12500 0.87500 0.25000 1.00000
H14 H 0.74753 0.63711 0.11133 1.00000
H15 H 0.37500 0.62500 0.75000 1.00000
H16 H 0.11042 0.36289 0.97421 1.00000
H17 H 0.36289 0.97421 0.11042 1.00000
H18 H 0.97421 0.11042 0.36289 1.00000
H19 H 0.24753 0.61133 0.13711 1.00000
H20 H 0.87500 0.25000 0.12500 1.00000
H21 H 0.86289 0.61042 0.47421 1.00000
H22 H 0.61042 0.47421 0.86289 1.00000
H23 H 0.25247 0.38958 0.36380 1.00000
H24 H 0.63620 0.38867 0.02579 1.00000
H25 H 0.13711 0.24753 0.61133 1.00000
H26 H 0.88958 0.75247 0.86380 1.00000
H27 H 0.88867 0.13620 0.52579 1.00000
H28 H 0.75000 0.37500 0.62500 1.00000
H29 H 0.36380 0.25247 0.38958 1.00000
H30 H 0.62500 0.75000 0.37500 1.00000
N1 N 0.88557 0.88557 0.88557 1.00000
N2 N 0.61443 0.50000 1.00000 1.00000
N3 N 0.38557 0.38557 0.38557 1.00000
N4 N 1.00000 0.11443 0.50000 1.00000
N5 N 1.00000 0.61443 0.50000 1.00000
N6 N 0.11443 0.50000 1.00000 1.00000
N7 N 0.50000 1.00000 0.11443 1.00000
N8 N 0.50000 1.00000 0.61443 1.00000
