ErAl4H
Alexandria ALEXAlex-ID: agm007354624 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1316_spg15
ErH3 ErAl3 Al
2024-03-26 11:15:20.494281
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007354624).
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 agm007354624
data_agm007354624
_cell_length_a 5.62912
_cell_length_b 6.42263
_cell_length_c 6.21507
_cell_angle_alpha 76.17302
_cell_angle_beta 85.26295
_cell_angle_gamma 67.51830
_cell_volume 201.59526
_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 0.45729 0.34529 0.28790 1.00000
Er2 Er 0.54271 0.65471 0.71210 1.00000
Al1 Al 0.93950 0.87993 0.37839 1.00000
Al2 Al 0.99072 0.21774 0.03867 1.00000
Al3 Al 0.88318 0.50632 0.31031 1.00000
Al4 Al 0.55207 0.12968 0.79918 1.00000
Al5 Al 0.44793 0.87032 0.20082 1.00000
Al6 Al 0.11682 0.49368 0.68969 1.00000
Al7 Al 0.00928 0.78226 0.96133 1.00000
Al8 Al 0.06050 0.12007 0.62161 1.00000
H1 H 0.37270 0.67675 0.04053 1.00000
H2 H 0.62730 0.32325 0.95947 1.00000
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