Tl2Cd(PPt4)3
Alexandria ALEXAlex-ID: agm004495075 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_99_spg166
P2Pt5 CdPPt5 TlPt
2022-06-20 20:41:52.161642
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004495075).
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 agm004495075
data_agm004495075
_cell_length_a 7.40734
_cell_length_b 7.40734
_cell_length_c 7.40734
_cell_angle_alpha 68.35100
_cell_angle_beta 68.35100
_cell_angle_gamma 68.35100
_cell_volume 338.12433
_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 0.59944 0.59944 0.59944 1.00000
Tl2 Tl 0.40056 0.40056 0.40056 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
P1 P 0.50000 0.00000 0.00000 1.00000
P2 P 0.00000 0.50000 0.00000 1.00000
P3 P 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.35198 0.35198 0.89351 1.00000
Pt2 Pt 0.85260 0.85260 0.39429 1.00000
Pt3 Pt 0.39429 0.85260 0.85260 1.00000
Pt4 Pt 0.89351 0.35198 0.35198 1.00000
Pt5 Pt 0.85260 0.39429 0.85260 1.00000
Pt6 Pt 0.35198 0.89351 0.35198 1.00000
Pt7 Pt 0.64802 0.64802 0.10649 1.00000
Pt8 Pt 0.14740 0.14740 0.60571 1.00000
Pt9 Pt 0.60571 0.14740 0.14740 1.00000
Pt10 Pt 0.10649 0.64802 0.64802 1.00000
Pt11 Pt 0.14740 0.60571 0.14740 1.00000
Pt12 Pt 0.64802 0.10649 0.64802 1.00000
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