PmFe2H7
Alexandria ALEXAlex-ID: agm006208554 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1245_spg8
FeH PmFeH5 H2
2024-02-01 08:11:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006208554).
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 agm006208554
data_agm006208554
_cell_length_a 8.55975
_cell_length_b 8.53584
_cell_length_c 3.05444
_cell_angle_alpha 101.44461
_cell_angle_beta 101.41469
_cell_angle_gamma 24.10399
_cell_volume 89.25112
_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
H1 H 0.54033 0.53311 0.85471 1.00000
H2 H 0.32163 0.75245 0.85512 1.00000
H3 H 0.77857 0.98163 0.68379 1.00000
H4 H 0.05993 0.24651 0.43220 1.00000
H5 H 0.62581 0.81712 0.00801 1.00000
H6 H 0.18625 0.38196 0.57864 1.00000
H7 H 0.88247 0.09190 0.30212 1.00000
Fe1 Fe 0.67994 0.87515 0.56998 1.00000
Fe2 Fe 0.11622 0.30689 0.99740 1.00000
Pm1 Pm 0.30885 0.51328 0.21801 1.00000
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