Er6Al3Si
Alexandria ALEXAlex-ID: agm003246744 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_22_spg140
ErAl Er2Al Er5Si3
2022-01-01 13:18:42.083544
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003246744).
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 agm003246744
data_agm003246744
_cell_length_a 11.08261
_cell_length_b 11.08261
_cell_length_c 11.08261
_cell_angle_alpha 117.72271
_cell_angle_beta 117.72271
_cell_angle_gamma 93.99182
_cell_volume 993.04613
_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
Er1 Er 0.16996 0.66996 0.83992 1.00000
Er2 Er 0.83004 0.33004 0.16008 1.00000
Er3 Er 0.66996 0.83004 0.50000 1.00000
Er4 Er 0.33004 0.16996 0.50000 1.00000
Er5 Er 0.83097 0.69760 0.26030 1.00000
Er6 Er 0.16903 0.30240 0.73970 1.00000
Er7 Er 0.43729 0.57067 0.73970 1.00000
Er8 Er 0.69760 0.43729 0.86663 1.00000
Er9 Er 0.06271 0.80240 0.13337 1.00000
Er10 Er 0.56271 0.42933 0.26030 1.00000
Er11 Er 0.30240 0.56271 0.13337 1.00000
Er12 Er 0.93729 0.19760 0.86663 1.00000
Er13 Er 0.57067 0.83097 0.13337 1.00000
Er14 Er 0.66903 0.92933 0.86663 1.00000
Er15 Er 0.42933 0.16903 0.86663 1.00000
Er16 Er 0.33097 0.07067 0.13337 1.00000
Er17 Er 0.92933 0.06271 0.26030 1.00000
Er18 Er 0.07067 0.93729 0.73970 1.00000
Er19 Er 0.80240 0.66903 0.73970 1.00000
Er20 Er 0.19760 0.33097 0.26030 1.00000
Er21 Er 0.14755 0.64755 0.50000 1.00000
Er22 Er 0.85245 0.35245 0.50000 1.00000
Er23 Er 0.64755 0.14755 0.50000 1.00000
Er24 Er 0.35245 0.85245 0.50000 1.00000
Al1 Al 0.62031 0.12031 0.74063 1.00000
Al2 Al 0.37969 0.87969 0.25937 1.00000
Al3 Al 0.12031 0.37969 0.50000 1.00000
Al4 Al 0.87969 0.62031 0.50000 1.00000
Al5 Al 0.38188 0.88188 0.85530 1.00000
Al6 Al 0.61812 0.11812 0.14470 1.00000
Al7 Al 0.02658 0.52658 0.14470 1.00000
Al8 Al 0.88188 0.02658 0.50000 1.00000
Al9 Al 0.47342 0.61812 0.50000 1.00000
Al10 Al 0.97342 0.47342 0.85530 1.00000
Al11 Al 0.11812 0.97342 0.50000 1.00000
Al12 Al 0.52658 0.38188 0.50000 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
Si2 Si 0.00000 0.00000 0.00000 1.00000
Si3 Si 0.75000 0.75000 0.00000 1.00000
Si4 Si 0.25000 0.25000 0.00000 1.00000
