Li3YPt2
Alexandria ALEXAlex-ID: agm005806773 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_865_spg12
LiYPt Li2Pt
2023-08-22 09:57:23.212645
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806773).
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 agm005806773
data_agm005806773
_cell_length_a 4.12440
_cell_length_b 7.07643
_cell_length_c 8.40455
_cell_angle_alpha 117.96903
_cell_angle_beta 90.00000
_cell_angle_gamma 106.94287
_cell_volume 204.51224
_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 0.27651 0.55301 0.44653 1.00000
Li2 Li 0.94220 0.88440 0.60703 1.00000
Li3 Li 0.58164 0.16328 0.69064 1.00000
Li4 Li 0.41836 0.83672 0.30936 1.00000
Li5 Li 0.05780 0.11560 0.39297 1.00000
Li6 Li 0.72349 0.44699 0.55347 1.00000
Y1 Y 0.86551 0.73102 0.98424 1.00000
Y2 Y 0.13449 0.26898 0.01576 1.00000
Pt1 Pt 0.43563 0.87126 0.80759 1.00000
Pt2 Pt 0.56437 0.12874 0.19241 1.00000
Pt3 Pt 0.79195 0.58390 0.25844 1.00000
Pt4 Pt 0.20805 0.41610 0.74156 1.00000
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