FeGeH6
Alexandria ALEXAlex-ID: agm092689779 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_2229_spg44
FeGe GeH8 FeH
2025-06-26 19:51:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm092689779).
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 agm092689779
data_agm092689779
_cell_length_a 5.96271
_cell_length_b 5.36444
_cell_length_c 2.90509
_cell_angle_alpha 74.53972
_cell_angle_beta 89.76781
_cell_angle_gamma 56.16874
_cell_volume 73.17764
_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
Fe1 Fe 0.70713 0.57374 0.44016 1.00000
Ge1 Ge 0.93323 0.12160 0.16064 1.00000
H1 H 0.51678 0.44977 0.50534 1.00000
H2 H 0.92127 0.67000 0.39064 1.00000
H3 H 0.52573 0.93664 0.26424 1.00000
H4 H 0.02144 0.44983 0.49827 1.00000
H5 H 0.39678 0.66991 0.39328 1.00000
H6 H 0.61238 0.76325 0.84742 1.00000
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