Li3PaPt2
Alexandria ALEXAlex-ID: agm005806943 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1386_spg12
Li3PaPt2
2023-08-22 09:45:55.775380
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806943).
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 agm005806943
data_agm005806943
_cell_length_a 3.93920
_cell_length_b 7.22236
_cell_length_c 9.27452
_cell_angle_alpha 124.45399
_cell_angle_beta 90.00001
_cell_angle_gamma 105.82550
_cell_volume 205.33302
_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
Li1 Li 0.26526 0.53052 0.41534 1.00000
Li2 Li 0.92811 0.85622 0.58161 1.00000
Li3 Li 0.56964 0.13928 0.67978 1.00000
Li4 Li 0.43036 0.86072 0.32022 1.00000
Li5 Li 0.07189 0.14378 0.41839 1.00000
Li6 Li 0.73474 0.46948 0.58466 1.00000
Pa1 Pa 0.87643 0.75286 0.00407 1.00000
Pa2 Pa 0.12357 0.24714 0.99593 1.00000
Pt1 Pt 0.43664 0.87328 0.80483 1.00000
Pt2 Pt 0.56336 0.12672 0.19517 1.00000
Pt3 Pt 0.78943 0.57886 0.22198 1.00000
Pt4 Pt 0.21057 0.42114 0.77802 1.00000
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