YFe2CoH8
Alexandria ALEXAlex-ID: agm007456392 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_985_spg12
YCoH6 FeH
2024-03-26 08:12:59.998579
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007456392).
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 agm007456392
data_agm007456392
_cell_length_a 4.27427
_cell_length_b 4.27427
_cell_length_c 5.85717
_cell_angle_alpha 67.34586
_cell_angle_beta 67.34586
_cell_angle_gamma 61.34996
_cell_volume 83.96275
_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
Y1 Y 0.51816 0.48184 0.50000 1.00000
Fe1 Fe 0.34845 0.26888 0.11583 1.00000
Fe2 Fe 0.73112 0.65155 0.88417 1.00000
Co1 Co 0.03997 0.96003 0.00000 1.00000
H1 H 0.90005 0.82437 0.60434 1.00000
H2 H 0.66067 0.84595 0.11081 1.00000
H3 H 0.17563 0.09995 0.39566 1.00000
H4 H 0.15405 0.33933 0.88919 1.00000
H5 H 0.12093 0.60458 0.25107 1.00000
H6 H 0.74969 0.29681 0.82554 1.00000
H7 H 0.70319 0.25031 0.17446 1.00000
H8 H 0.39542 0.87907 0.74893 1.00000
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