FeReH4
Alexandria ALEXAlex-ID: agm007363357 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1328_spg12
Re8H H2 FeH
2024-03-26 03:35:30.209040
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007363357).
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 agm007363357
data_agm007363357
_cell_length_a 4.55313
_cell_length_b 4.55005
_cell_length_c 4.85391
_cell_angle_alpha 101.97044
_cell_angle_beta 106.44722
_cell_angle_gamma 90.91890
_cell_volume 94.04632
_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 0.83883 0.42598 0.25880 1.00000
Fe2 Fe 0.16117 0.57402 0.74120 1.00000
Re1 Re 0.73936 0.85238 0.96963 1.00000
Re2 Re 0.26064 0.14762 0.03037 1.00000
H1 H 0.62632 0.08774 0.29114 1.00000
H2 H 0.37368 0.91226 0.70886 1.00000
H3 H 0.11575 0.92365 0.24308 1.00000
H4 H 0.88425 0.07635 0.75692 1.00000
H5 H 0.76717 0.62141 0.61176 1.00000
H6 H 0.23283 0.37859 0.38824 1.00000
H7 H 0.50000 0.50000 0.00000 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
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