Nd3SmPb2C
Alexandria ALEXAlex-ID: agm050767809 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3_2_spg71
Nd2Sm2Pb2C Nd3PbC Nd4Pb3 Sm4C5
2025-04-30 05:48:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050767809).
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 agm050767809
data_agm050767809
_cell_length_a 9.06800
_cell_length_b 9.06800
_cell_length_c 9.06800
_cell_angle_alpha 148.13363
_cell_angle_beta 147.82720
_cell_angle_gamma 45.91477
_cell_volume 208.90120
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.66035 0.16035 0.50000 1.00000
Nd3 Nd 0.33965 0.83965 0.50000 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Pb1 Pb 0.14024 0.64024 0.50000 1.00000
Pb2 Pb 0.85976 0.35976 0.50000 1.00000
C1 C 0.50000 0.00000 0.50000 1.00000
Get direct link