PmGeAu2
Alexandria ALEXAlex-ID: agm005654080 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_493_spg164
Pm3(GeAu)4 Pm3Ge4Au7 PmAu3
2023-07-12 03:00:51.380922
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654080).
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
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# CIF generated by HEAS from Alexandria entry agm005654080
data_agm005654080
_cell_length_a 4.64060
_cell_length_b 4.64060
_cell_length_c 9.88545
_cell_angle_alpha 89.99999
_cell_angle_beta 89.99992
_cell_angle_gamma 59.99999
_cell_volume 184.36360
_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
Pm1 Pm 0.00000 1.00000 0.81099 1.00000
Pm2 Pm 1.00000 0.00000 0.18901 1.00000
Ge1 Ge 0.66666 0.66667 0.36979 1.00000
Ge2 Ge 0.33333 0.33333 0.63021 1.00000
Au1 Au 0.66667 0.66667 0.99215 1.00000
Au2 Au 0.33333 0.33333 0.00785 1.00000
Au3 Au 0.66667 0.66667 0.64234 1.00000
Au4 Au 0.33333 0.33333 0.35766 1.00000
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