Pm6Al2Ag
Alexandria ALEXAlex-ID: agm005803140 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
PmAl Pm PmAg
2023-07-06 09:59:29.308698
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803140).
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 agm005803140
data_agm005803140
_cell_length_a 8.84893
_cell_length_b 8.84893
_cell_length_c 8.84893
_cell_angle_alpha 107.23044
_cell_angle_beta 111.98520
_cell_angle_gamma 109.23342
_cell_volume 532.46719
_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 0.55808 0.73362 0.82446 1.00000
Pm2 Pm 0.44192 0.26638 0.17554 1.00000
Pm3 Pm 0.09084 0.26638 0.82446 1.00000
Pm4 Pm 0.90916 0.73362 0.17554 1.00000
Pm5 Pm 0.80417 0.74562 0.54979 1.00000
Pm6 Pm 0.19583 0.25438 0.45021 1.00000
Pm7 Pm 0.19583 0.74562 0.94146 1.00000
Pm8 Pm 0.80417 0.25438 0.05854 1.00000
Pm9 Pm 0.71267 0.38679 0.67412 1.00000
Pm10 Pm 0.28733 0.61321 0.32588 1.00000
Pm11 Pm 0.28733 0.96145 0.67412 1.00000
Pm12 Pm 0.71267 0.03855 0.32588 1.00000
Al1 Al 0.50000 0.37585 0.87585 1.00000
Al2 Al 0.50000 0.62415 0.12415 1.00000
Al3 Al 0.63757 1.00000 0.63757 1.00000
Al4 Al 0.36243 0.00000 0.36243 1.00000
Ag1 Ag 0.00000 0.50000 0.50000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
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