Er6FeSn2H
Alexandria ALEXAlex-ID: agm007451824 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_224_spg148
Er3Fe Er5Sn3 ErFe2 ErH2
2024-06-24 12:08:29.775980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007451824).
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 agm007451824
data_agm007451824
_cell_length_a 6.97441
_cell_length_b 6.97441
_cell_length_c 6.97441
_cell_angle_alpha 119.96341
_cell_angle_beta 119.96341
_cell_angle_gamma 90.06339
_cell_volume 240.01973
_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 0.25185 0.74793 0.99979 1.00000
Er2 Er 0.74793 0.74815 0.49608 1.00000
Er3 Er 0.74815 0.25207 0.00021 1.00000
Er4 Er 0.74884 0.74884 0.00000 1.00000
Er5 Er 0.25207 0.25185 0.50392 1.00000
Er6 Er 0.25116 0.25116 0.00000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.25000 0.75000 0.50000 1.00000
Sn2 Sn 0.75000 0.25000 0.50000 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
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