V(FeH2)3
Alexandria ALEXAlex-ID: agm006484802 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_25_spg2
FeH VH2 H2
2025-05-27 20:50:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006484802).
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 agm006484802
data_agm006484802
_cell_length_a 4.73879
_cell_length_b 3.85828
_cell_length_c 4.71100
_cell_angle_alpha 65.94697
_cell_angle_beta 50.30486
_cell_angle_gamma 66.25909
_cell_volume 59.26753
_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
V1 V 0.10620 0.12374 0.12954 1.00000
Fe1 Fe 0.63605 0.61602 0.61160 1.00000
Fe2 Fe 0.37053 0.35716 0.38723 1.00000
Fe3 Fe 0.89905 0.85284 0.86894 1.00000
H1 H 0.96475 0.40813 0.78174 1.00000
H2 H 0.62095 0.16402 0.56922 1.00000
H3 H 0.51387 0.72808 0.00298 1.00000
H4 H 0.03132 0.63507 0.17963 1.00000
H5 H 0.33106 0.87618 0.47419 1.00000
H6 H 0.52623 0.23875 0.99494 1.00000
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