GePbN2
Alexandria ALEXAlex-ID: agm005238055 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7504_spg64
PbN2 Pb Ge3N4
2023-05-07 07:47:29.775691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238055).
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 agm005238055
data_agm005238055
_cell_length_a 6.11778
_cell_length_b 6.11778
_cell_length_c 9.04034
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 122.77704
_cell_volume 284.48336
_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
Ge1 Ge 0.53421 0.46579 0.64312 1.00000
Ge2 Ge 0.46579 0.53421 0.35688 1.00000
Ge3 Ge 0.96579 0.03421 0.14312 1.00000
Ge4 Ge 0.03421 0.96579 0.85688 1.00000
Pb1 Pb 0.83603 0.16397 0.46104 1.00000
Pb2 Pb 0.16397 0.83603 0.53896 1.00000
Pb3 Pb 0.66397 0.33603 0.96104 1.00000
Pb4 Pb 0.33603 0.66397 0.03896 1.00000
N1 N 0.88059 0.11941 0.95662 1.00000
N2 N 0.11941 0.88059 0.04338 1.00000
N3 N 0.61941 0.38059 0.45662 1.00000
N4 N 0.38059 0.61941 0.54338 1.00000
N5 N 0.34545 0.15455 0.75000 1.00000
N6 N 0.15455 0.34545 0.25000 1.00000
N7 N 0.65455 0.84545 0.25000 1.00000
N8 N 0.84545 0.65455 0.75000 1.00000
Get direct link