Ac6Pb3N2
Alexandria ALEXAlex-ID: agm003348895 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_7_spg139
Ac5Pb3N AcN
2022-02-02 18:28:50.274640
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003348895).
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 agm003348895
data_agm003348895
_cell_length_a 5.22163
_cell_length_b 5.22163
_cell_length_c 14.28226
_cell_angle_alpha 100.53296
_cell_angle_beta 100.53296
_cell_angle_gamma 90.00000
_cell_volume 376.17398
_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
Ac1 Ac 0.08530 0.58530 0.17060 1.00000
Ac2 Ac 0.58530 0.08530 0.17060 1.00000
Ac3 Ac 0.91470 0.41470 0.82940 1.00000
Ac4 Ac 0.41470 0.91470 0.82940 1.00000
Ac5 Ac 0.69482 0.69482 0.38964 1.00000
Ac6 Ac 0.30518 0.30518 0.61036 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.82414 0.82414 0.64828 1.00000
Pb3 Pb 0.17586 0.17586 0.35172 1.00000
N1 N 0.39407 0.39407 0.78815 1.00000
N2 N 0.60593 0.60593 0.21185 1.00000
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