Li2Er3Pt7
Alexandria ALEXAlex-ID: agm024809140 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_69_spg12
LiErPt2 LiEr2Pt5
2025-05-16 20:20:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024809140).
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 agm024809140
data_agm024809140
_cell_length_a 5.42631
_cell_length_b 5.42631
_cell_length_c 8.90395
_cell_angle_alpha 72.27909
_cell_angle_beta 107.72091
_cell_angle_gamma 120.03216
_cell_volume 212.50073
_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 0.66487 0.33513 0.49406 1.00000
Li2 Li 0.33513 0.66487 0.50594 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Er2 Er 0.86184 0.13816 0.08530 1.00000
Er3 Er 0.13816 0.86184 0.91470 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.41765 0.58235 0.25991 1.00000
Pt3 Pt 0.41757 0.07464 0.25938 1.00000
Pt4 Pt 0.92536 0.58243 0.25938 1.00000
Pt5 Pt 0.58235 0.41765 0.74009 1.00000
Pt6 Pt 0.07464 0.41757 0.74062 1.00000
Pt7 Pt 0.58243 0.92536 0.74062 1.00000
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