Tm2PbC2
Alexandria ALEXAlex-ID: agm013999977 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_127_spg15
Tm2PbC C
2024-11-01 15:53:00.966874
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013999977).
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 agm013999977
data_agm013999977
_cell_length_a 8.59814
_cell_length_b 8.59814
_cell_length_c 6.48381
_cell_angle_alpha 77.74783
_cell_angle_beta 77.74783
_cell_angle_gamma 24.87598
_cell_volume 196.81637
_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
Tm1 Tm 0.84366 0.47841 0.33533 1.00000
Tm2 Tm 0.47841 0.84366 0.83533 1.00000
Tm3 Tm 0.15634 0.52159 0.66467 1.00000
Tm4 Tm 0.52159 0.15634 0.16467 1.00000
Pb1 Pb 0.76761 0.23239 0.75000 1.00000
Pb2 Pb 0.23239 0.76761 0.25000 1.00000
C1 C 0.91769 0.63489 0.03509 1.00000
C2 C 0.36511 0.08231 0.46491 1.00000
C3 C 0.08231 0.36511 0.96491 1.00000
C4 C 0.63489 0.91769 0.53509 1.00000
Get direct link