FeCo2NiH6
Alexandria ALEXAlex-ID: agm007249791 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2187_spg1
Ni3H4 NiH4 FeCo3H4 FeH
2024-03-26 05:42:55.857821
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007249791).
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 agm007249791
data_agm007249791
_cell_length_a 4.33264
_cell_length_b 4.36704
_cell_length_c 4.94309
_cell_angle_alpha 61.84453
_cell_angle_beta 64.05771
_cell_angle_gamma 60.25224
_cell_volume 69.02165
_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 0.86257 0.39796 0.58356 1.00000
Co1 Co 0.19089 0.72975 0.58903 1.00000
Co2 Co 0.52795 0.06624 0.57849 1.00000
Ni1 Ni 0.69761 0.89808 0.08383 1.00000
H1 H 0.41619 0.29352 0.83113 1.00000
H2 H 0.31333 0.12291 0.33182 1.00000
H3 H 0.78696 0.67297 0.83566 1.00000
H4 H 0.55811 0.50316 0.33621 1.00000
H5 H 0.13920 0.93546 0.83403 1.00000
H6 H 0.92660 0.86162 0.33353 1.00000
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