Li8As2Pd
Alexandria ALEXAlex-ID: agm003531908 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_280_spg71
Li3As Li2Pd
2022-03-15 18:06:47.345362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003531908).
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 agm003531908
data_agm003531908
_cell_length_a 4.29935
_cell_length_b 6.20259
_cell_length_c 7.43474
_cell_angle_alpha 114.65355
_cell_angle_beta 106.80645
_cell_angle_gamma 90.00000
_cell_volume 170.82860
_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 0.34272 0.57277 0.68545 1.00000
Li2 Li 0.65724 0.88718 0.31449 1.00000
Li3 Li 0.82880 0.82889 0.65760 1.00000
Li4 Li 0.00000 0.28537 0.00001 1.00000
Li5 Li 0.17120 0.17111 0.34240 1.00000
Li6 Li 0.34276 0.11282 0.68551 1.00000
Li7 Li 0.65728 0.42723 0.31455 1.00000
Li8 Li 1.00000 0.71463 0.99999 1.00000
As1 As 0.82122 0.32123 0.64244 1.00000
As2 As 0.17878 0.67877 0.35756 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
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