ErPu3(HfAs3)2
Alexandria ALEXAlex-ID: agm045674593 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_505_spg12
ErPu2As3 PuHfAs2 ErAs
2025-03-10 14:53:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045674593).
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 agm045674593
data_agm045674593
_cell_length_a 6.95594
_cell_length_b 6.95594
_cell_length_c 6.96143
_cell_angle_alpha 80.39486
_cell_angle_beta 99.60514
_cell_angle_gamma 60.02689
_cell_volume 275.06903
_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
Pu1 Pu 0.16311 0.16311 0.50000 1.00000
Pu2 Pu 0.83689 0.83689 0.50000 1.00000
Pu3 Pu 0.50000 0.50000 0.50000 1.00000
Hf1 Hf 0.33211 0.33211 0.00000 1.00000
Hf2 Hf 0.66789 0.66789 0.00000 1.00000
As1 As 0.42114 0.92157 0.23686 1.00000
As2 As 0.26422 0.73578 0.76731 1.00000
As3 As 0.57886 0.07843 0.76314 1.00000
As4 As 0.07843 0.57886 0.23686 1.00000
As5 As 0.73578 0.26422 0.23269 1.00000
As6 As 0.92157 0.42114 0.76314 1.00000
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