Sc4PbN
Alexandria ALEXAlex-ID: agm003736769 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1947_spg15
Sc3PbN Sc
2022-04-18 19:29:13.932225
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736769).
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 agm003736769
data_agm003736769
_cell_length_a 5.36559
_cell_length_b 6.58747
_cell_length_c 7.73019
_cell_angle_alpha 105.00036
_cell_angle_beta 110.31238
_cell_angle_gamma 89.99622
_cell_volume 246.28758
_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
Sc1 Sc 0.43686 0.07165 0.77364 1.00000
Sc2 Sc 0.66314 0.42836 0.22633 1.00000
Sc3 Sc 0.56314 0.92835 0.22636 1.00000
Sc4 Sc 0.33686 0.57164 0.77367 1.00000
Sc5 Sc 0.82977 0.80151 0.60312 1.00000
Sc6 Sc 0.22664 0.69847 0.39687 1.00000
Sc7 Sc 0.17023 0.19849 0.39688 1.00000
Sc8 Sc 0.77336 0.30153 0.60313 1.00000
Pb1 Pb 0.93545 0.75005 0.00000 1.00000
Pb2 Pb 0.06455 0.24995 1.00000 1.00000
N1 N 0.50000 0.00000 0.50000 1.00000
N2 N 0.00000 0.50000 0.50000 1.00000
Get direct link