ErHf2Pd7
Alexandria ALEXAlex-ID: agm005872064 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_317_spg69
Er3Pd4 Hf3Pd5 HfPd3
2023-07-26 14:47:57.336750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005872064).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005872064
data_agm005872064
_cell_length_a 4.83165
_cell_length_b 4.83165
_cell_length_c 9.33566
_cell_angle_alpha 109.63957
_cell_angle_beta 109.63956
_cell_angle_gamma 72.61289
_cell_volume 189.02869
_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 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.66916 0.66916 0.33831 1.00000
Hf2 Hf 0.33084 0.33084 0.66169 1.00000
Pd1 Pd 0.08845 0.58845 0.17690 1.00000
Pd2 Pd 0.41155 0.91155 0.82310 1.00000
Pd3 Pd 0.58845 0.08845 0.17690 1.00000
Pd4 Pd 0.50000 0.50000 0.00000 1.00000
Pd5 Pd 0.75000 0.25000 0.50000 1.00000
Pd6 Pd 0.91155 0.41155 0.82310 1.00000
Pd7 Pd 0.25000 0.75000 0.50000 1.00000
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