PmEr3Al8
Alexandria ALEXAlex-ID: agm003587652 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_29_spg160
PmAl2 ErAl2
2022-04-03 08:28:58.192066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003587652).
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 agm003587652
data_agm003587652
_cell_length_a 5.55271
_cell_length_b 5.55271
_cell_length_c 9.66618
_cell_angle_alpha 73.30818
_cell_angle_beta 73.30818
_cell_angle_gamma 60.00000
_cell_volume 243.49613
_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 0.87495 0.87495 0.37514 1.00000
Er1 Er 0.37547 0.37547 0.87359 1.00000
Er2 Er 0.00016 0.00016 0.99953 1.00000
Er3 Er 0.49929 0.49929 0.50214 1.00000
Al1 Al 0.93880 0.43822 0.18475 1.00000
Al2 Al 0.43593 0.93702 0.69002 1.00000
Al3 Al 0.43822 0.43822 0.18475 1.00000
Al4 Al 0.93702 0.93702 0.69002 1.00000
Al5 Al 0.18716 0.18716 0.43852 1.00000
Al6 Al 0.68775 0.68775 0.93675 1.00000
Al7 Al 0.43822 0.93880 0.18475 1.00000
Al8 Al 0.93702 0.43593 0.69002 1.00000
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