Tb(PdPt3)2
Alexandria ALEXAlex-ID: agm005690648 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1157_spg12
Pd2Pt3 TbPt3
2023-07-09 03:55:59.245289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690648).
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 agm005690648
data_agm005690648
_cell_length_a 4.01005
_cell_length_b 6.37063
_cell_length_c 7.09731
_cell_angle_alpha 63.33291
_cell_angle_beta 81.96071
_cell_angle_gamma 71.84376
_cell_volume 153.95833
_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
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.84009 0.31982 1.00000
Pd2 Pd 0.50000 0.15991 0.68018 1.00000
Pt1 Pt 0.16230 0.81786 0.68068 1.00000
Pt2 Pt 0.83770 0.18214 0.31932 1.00000
Pt3 Pt 0.33325 0.33833 1.00000 1.00000
Pt4 Pt 0.16230 0.49854 0.31932 1.00000
Pt5 Pt 0.83770 0.50146 0.68068 1.00000
Pt6 Pt 0.66675 0.66167 0.00000 1.00000
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