TlPt2Pb
Alexandria ALEXAlex-ID: agm005688749 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_759_spg63
TlPt2Pb
2023-07-13 09:24:22.871290
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688749).
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 agm005688749
data_agm005688749
_cell_length_a 4.76826
_cell_length_b 7.23076
_cell_length_c 6.42153
_cell_angle_alpha 89.99990
_cell_angle_beta 112.78467
_cell_angle_gamma 90.00004
_cell_volume 204.12563
_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
Tl1 Tl 0.59742 0.75000 0.18031 1.00000
Tl2 Tl 0.40258 0.25000 0.81969 1.00000
Pt1 Pt 0.25512 0.57161 0.50991 1.00000
Pt2 Pt 0.74488 0.42839 0.49009 1.00000
Pt3 Pt 0.74488 0.07161 0.49009 1.00000
Pt4 Pt 0.25512 0.92839 0.50991 1.00000
Pb1 Pb 0.89088 0.75000 0.78297 1.00000
Pb2 Pb 0.10912 0.25000 0.21703 1.00000
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