Er2CdFeH6
Alexandria ALEXAlex-ID: agm008244996 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_394_spg166
ErH3 Fe Cd
2024-07-18 10:18:32.801282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008244996).
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 agm008244996
data_agm008244996
_cell_length_a 13.56127
_cell_length_b 13.56127
_cell_length_c 13.56127
_cell_angle_alpha 18.77608
_cell_angle_beta 18.77608
_cell_angle_gamma 18.77608
_cell_volume 225.76798
_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 0.86616 0.86616 0.86616 1.00000
Er2 Er 0.13384 0.13384 0.13384 1.00000
Er3 Er 0.70031 0.70031 0.70031 1.00000
Er4 Er 0.29969 0.29969 0.29969 1.00000
Cd1 Cd 0.58214 0.58214 0.58214 1.00000
Cd2 Cd 0.41786 0.41786 0.41786 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.50000 0.50000 0.50000 1.00000
H1 H 0.34741 0.34741 0.87078 1.00000
H2 H 0.34741 0.87078 0.34741 1.00000
H3 H 0.87078 0.34741 0.34741 1.00000
H4 H 0.65259 0.65259 0.12922 1.00000
H5 H 0.65259 0.12922 0.65259 1.00000
H6 H 0.12922 0.65259 0.65259 1.00000
H7 H 0.19252 0.19252 0.68304 1.00000
H8 H 0.19252 0.68304 0.19252 1.00000
H9 H 0.68304 0.19252 0.19252 1.00000
H10 H 0.80748 0.80748 0.31696 1.00000
H11 H 0.80748 0.31696 0.80748 1.00000
H12 H 0.31696 0.80748 0.80748 1.00000
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