ScFe2GeH8
Alexandria ALEXAlex-ID: agm007452248 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
FeH ScFeH5 FeGe GeH8
2024-10-14 17:16:05.230272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007452248).
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 agm007452248
data_agm007452248
_cell_length_a 4.24035
_cell_length_b 4.24035
_cell_length_c 5.91686
_cell_angle_alpha 70.21638
_cell_angle_beta 70.21638
_cell_angle_gamma 55.72012
_cell_volume 81.21108
_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
Sc1 Sc 0.51265 0.48735 0.00000 1.00000
Fe1 Fe 0.74974 0.66005 0.35737 1.00000
Fe2 Fe 0.33995 0.25026 0.64263 1.00000
Ge1 Ge 0.03481 0.96519 0.50000 1.00000
H1 H 0.08557 0.08285 0.84278 1.00000
H2 H 0.20978 0.42226 0.37231 1.00000
H3 H 0.91715 0.91443 0.15722 1.00000
H4 H 0.57774 0.79022 0.62769 1.00000
H5 H 0.44629 0.90367 0.18658 1.00000
H6 H 0.58076 0.05117 0.84713 1.00000
H7 H 0.94883 0.41924 0.15287 1.00000
H8 H 0.09633 0.55371 0.81342 1.00000
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