ErFe(CoH4)2
Alexandria ALEXAlex-ID: agm007434446 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_368_spg2
FeCo3H4 ErCoH6 FeH
2024-03-05 21:37:52.987525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007434446).
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 agm007434446
data_agm007434446
_cell_length_a 4.05041
_cell_length_b 4.36490
_cell_length_c 4.91314
_cell_angle_alpha 94.51334
_cell_angle_beta 85.52184
_cell_angle_gamma 91.12554
_cell_volume 86.32083
_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
Er1 Er 0.50000 0.00000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.03231 0.48076 0.75672 1.00000
Co2 Co 0.96769 0.51924 0.24328 1.00000
H1 H 0.04169 0.88761 0.30187 1.00000
H2 H 0.71502 0.23517 0.13612 1.00000
H3 H 0.24538 0.31116 0.99595 1.00000
H4 H 0.95831 0.11239 0.69813 1.00000
H5 H 0.28498 0.76483 0.86388 1.00000
H6 H 0.75462 0.68884 0.00405 1.00000
H7 H 0.24789 0.47398 0.46610 1.00000
H8 H 0.75211 0.52602 0.53390 1.00000
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