Sc6Pb3CN2
Alexandria ALEXAlex-ID: agm077900997 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Sc4Pb2C Pb ScN
2025-01-09 01:04:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077900997).
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 agm077900997
data_agm077900997
_cell_length_a 5.82240
_cell_length_b 5.82240
_cell_length_c 7.69249
_cell_angle_alpha 82.77812
_cell_angle_beta 97.22188
_cell_angle_gamma 60.00542
_cell_volume 218.59867
_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 0.61188 0.05255 0.84152 1.00000
Sc2 Sc 0.38812 0.94745 0.15848 1.00000
Sc3 Sc 0.05255 0.61188 0.15848 1.00000
Sc4 Sc 0.94745 0.38812 0.84152 1.00000
Sc5 Sc 0.71703 0.28297 0.15861 1.00000
Sc6 Sc 0.28297 0.71703 0.84139 1.00000
Pb1 Pb 0.83390 0.83390 0.50000 1.00000
Pb2 Pb 0.16610 0.16610 0.50000 1.00000
Pb3 Pb 0.50000 0.50000 0.50000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
N1 N 0.66665 0.66665 0.00000 1.00000
N2 N 0.33335 0.33335 0.00000 1.00000
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