Sc3TiPb2C
Alexandria ALEXAlex-ID: agm050827009 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3_2_spg71
Sc4Pb2C Sc5Pb3 Sc6Pb5 Ti6C5
2025-04-17 16:41:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050827009).
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
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# CIF generated by HEAS from Alexandria entry agm050827009
data_agm050827009
_cell_length_a 8.17824
_cell_length_b 8.17824
_cell_length_c 8.17824
_cell_angle_alpha 149.48887
_cell_angle_beta 148.16138
_cell_angle_gamma 44.67813
_cell_volume 146.05580
_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 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.65148 0.15148 0.50000 1.00000
Sc3 Sc 0.34852 0.84852 0.50000 1.00000
Ti1 Ti 0.50000 0.50000 0.00000 1.00000
Pb1 Pb 0.14487 0.64487 0.50000 1.00000
Pb2 Pb 0.85513 0.35513 0.50000 1.00000
C1 C 0.50000 0.00000 0.50000 1.00000
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