ThCdPt
Alexandria ALEXAlex-ID: agm070338564 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_594_spg71
Th2CdPt2 Cd
2025-04-15 00:10:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070338564).
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 agm070338564
data_agm070338564
_cell_length_a 8.85577
_cell_length_b 8.85577
_cell_length_c 8.85577
_cell_angle_alpha 152.78669
_cell_angle_beta 152.78669
_cell_angle_gamma 38.86557
_cell_volume 144.99177
_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
Th1 Th 0.33016 0.33016 0.00000 1.00000
Th2 Th 0.66984 0.66984 1.00000 1.00000
Cd1 Cd 0.00000 0.50000 0.50000 1.00000
Cd2 Cd 0.50000 0.00000 0.50000 1.00000
Pt1 Pt 0.84988 0.84988 1.00000 1.00000
Pt2 Pt 0.15012 0.15012 0.00000 1.00000
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