Ho(ErPd)3
Alexandria ALEXAlex-ID: agm003545649 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_288_spg12
HoErPd ErPd
2022-04-03 07:43:16.113405
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545649).
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 agm003545649
data_agm003545649
_cell_length_a 6.90512
_cell_length_b 6.90512
_cell_length_c 7.04853
_cell_angle_alpha 91.38295
_cell_angle_beta 91.38295
_cell_angle_gamma 97.28157
_cell_volume 333.14586
_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
Ho1 Ho 0.73701 0.73701 0.87726 1.00000
Ho2 Ho 0.26299 0.26299 0.12274 1.00000
Er1 Er 0.65223 0.65223 0.36504 1.00000
Er2 Er 0.17657 0.82343 0.50000 1.00000
Er3 Er 0.82343 0.17657 0.50000 1.00000
Er4 Er 0.25024 0.74976 0.00000 1.00000
Er5 Er 0.74976 0.25024 0.00000 1.00000
Er6 Er 0.34777 0.34777 0.63496 1.00000
Pd1 Pd 0.93836 0.93836 0.19325 1.00000
Pd2 Pd 0.98738 0.49712 0.72111 1.00000
Pd3 Pd 0.49712 0.98738 0.72111 1.00000
Pd4 Pd 0.01262 0.50288 0.27889 1.00000
Pd5 Pd 0.50288 0.01262 0.27889 1.00000
Pd6 Pd 0.06164 0.06164 0.80675 1.00000
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