TiCdPt
Alexandria ALEXAlex-ID: agm005656338 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_386_spg166
Cd TiPt
2023-06-18 12:52:51.773079
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656338).
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 agm005656338
data_agm005656338
_cell_length_a 4.34737
_cell_length_b 4.34737
_cell_length_c 7.32353
_cell_angle_alpha 72.73399
_cell_angle_beta 72.73400
_cell_angle_gamma 59.99998
_cell_volume 112.60850
_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
Ti1 Ti 0.63410 0.63410 0.09769 1.00000
Ti2 Ti 0.36590 0.36590 0.90231 1.00000
Cd1 Cd 0.20398 0.20398 0.38807 1.00000
Cd2 Cd 0.79602 0.79602 0.61193 1.00000
Pt1 Pt 0.93504 0.93504 0.19487 1.00000
Pt2 Pt 0.06496 0.06496 0.80513 1.00000
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