Y2FeGeH
Alexandria ALEXAlex-ID: agm007182229 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_28_spg11
Y5Ge3 YH2 Y4Ge3 Fe
2024-07-09 22:56:22.690470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007182229).
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 agm007182229
data_agm007182229
_cell_length_a 3.96516
_cell_length_b 5.83147
_cell_length_c 8.39262
_cell_angle_alpha 69.39936
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 181.65129
_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
Y1 Y 0.25000 0.78031 0.41961 1.00000
Y2 Y 0.25000 0.77655 0.93596 1.00000
Y3 Y 0.75000 0.21969 0.58039 1.00000
Y4 Y 0.75000 0.22345 0.06404 1.00000
Fe1 Fe 0.75000 0.63329 0.21987 1.00000
Fe2 Fe 0.25000 0.36671 0.78013 1.00000
Ge1 Ge 0.75000 0.64002 0.70899 1.00000
Ge2 Ge 0.25000 0.35998 0.29101 1.00000
H1 H 0.75000 0.85688 0.03619 1.00000
H2 H 0.25000 0.14312 0.96381 1.00000
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