Sc2TlPb
Alexandria ALEXAlex-ID: agm005795331 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_4690_spg6
ScTl Sc5Pb3 Tl
2023-07-13 11:01:13.276928
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005795331).
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 agm005795331
data_agm005795331
_cell_length_a 4.70804
_cell_length_b 6.40195
_cell_length_c 6.40195
_cell_angle_alpha 84.66120
_cell_angle_beta 90.00017
_cell_angle_gamma 90.00017
_cell_volume 192.12190
_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 0.25001 0.62488 0.12733 1.00000
Sc2 Sc 0.74999 0.87267 0.37512 1.00000
Sc3 Sc 0.74999 0.37512 0.87267 1.00000
Sc4 Sc 0.25001 0.12733 0.62488 1.00000
Tl1 Tl 0.74999 0.87889 0.87889 1.00000
Tl2 Tl 0.25001 0.12111 0.12111 1.00000
Pb1 Pb 0.75000 0.36938 0.36938 1.00000
Pb2 Pb 0.25000 0.63062 0.63062 1.00000
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