Li7Pm3Au4
Alexandria ALEXAlex-ID: agm005702097 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
Li15Au4 LiPmAu Li
2023-06-29 16:37:42.769511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702097).
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 agm005702097
data_agm005702097
_cell_length_a 4.23523
_cell_length_b 8.29145
_cell_length_c 9.06844
_cell_angle_alpha 74.04053
_cell_angle_beta 76.49588
_cell_angle_gamma 75.20285
_cell_volume 291.41826
_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 0.32467 0.84486 0.50580 1.00000
Li2 Li 0.48190 0.22570 0.81049 1.00000
Li3 Li 0.83450 0.40067 0.93033 1.00000
Li4 Li 0.67533 0.15514 0.49420 1.00000
Li5 Li 0.16550 0.59933 0.06967 1.00000
Li6 Li 0.00000 0.00000 0.00000 1.00000
Li7 Li 0.51810 0.77430 0.18950 1.00000
Pm1 Pm 0.29949 0.17902 0.22201 1.00000
Pm2 Pm 0.70051 0.82098 0.77799 1.00000
Pm3 Pm 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.65570 0.44038 0.24823 1.00000
Au2 Au 0.34430 0.55962 0.75177 1.00000
Au3 Au 0.89460 0.89317 0.31763 1.00000
Au4 Au 0.10540 0.10683 0.68237 1.00000
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