In2Pb3N4
Alexandria ALEXAlex-ID: agm005232918 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_161_spg15
PbN2 Pb InN
2023-05-07 15:29:15.434139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005232918).
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 agm005232918
data_agm005232918
_cell_length_a 7.39101
_cell_length_b 7.39101
_cell_length_c 6.99186
_cell_angle_alpha 82.51416
_cell_angle_beta 82.51416
_cell_angle_gamma 82.92086
_cell_volume 373.26165
_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
In1 In 0.82058 0.63468 0.04638 1.00000
In2 In 0.36532 0.17942 0.45362 1.00000
In3 In 0.17942 0.36532 0.95362 1.00000
In4 In 0.63468 0.82058 0.54638 1.00000
Pb1 Pb 0.10196 0.70336 0.58896 1.00000
Pb2 Pb 0.29664 0.89804 0.91104 1.00000
Pb3 Pb 0.89804 0.29664 0.41104 1.00000
Pb4 Pb 0.70336 0.10196 0.08896 1.00000
Pb5 Pb 0.41333 0.58667 0.25000 1.00000
Pb6 Pb 0.58667 0.41333 0.75000 1.00000
N1 N 0.09808 0.67308 0.92393 1.00000
N2 N 0.32692 0.90192 0.57607 1.00000
N3 N 0.90192 0.32692 0.07607 1.00000
N4 N 0.67308 0.09808 0.42393 1.00000
N5 N 0.70000 0.59047 0.36149 1.00000
N6 N 0.40953 0.30000 0.13851 1.00000
N7 N 0.30000 0.40953 0.63851 1.00000
N8 N 0.59047 0.70000 0.86149 1.00000
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