V2FeH6Os
Alexandria ALEXAlex-ID: agm007432985 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_241_spg139
FeH VH2 Os H2
2025-05-27 05:19:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007432985).
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 agm007432985
data_agm007432985
_cell_length_a 4.07217
_cell_length_b 4.07460
_cell_length_c 4.97094
_cell_angle_alpha 112.85593
_cell_angle_beta 114.23483
_cell_angle_gamma 91.45601
_cell_volume 67.60822
_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 0.23299 0.74081 0.46214 1.00000
V2 V 0.72093 0.22784 0.46173 1.00000
Fe1 Fe 0.47521 0.43490 0.91039 1.00000
H1 H 0.83439 0.34277 0.17756 1.00000
H2 H 0.29748 0.21773 0.51578 1.00000
H3 H 0.13993 0.60969 0.75048 1.00000
H4 H 0.80915 0.82386 0.16128 1.00000
H5 H 0.70366 0.78412 0.48849 1.00000
H6 H 0.33711 0.35205 0.16162 1.00000
Os1 Os 0.95017 0.96228 0.91258 1.00000
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