ErPu2Hg3
Alexandria ALEXAlex-ID: agm017471287 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4613_spg9
Er3Hg4 PuHg2 Pu
2025-04-13 21:23:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017471287).
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 agm017471287
data_agm017471287
_cell_length_a 9.15823
_cell_length_b 9.15823
_cell_length_c 9.15823
_cell_angle_alpha 146.41899
_cell_angle_beta 131.85118
_cell_angle_gamma 59.97998
_cell_volume 313.58452
_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 0.58905 0.83905 0.75000 1.00000
Er2 Er 0.41095 0.16095 0.25000 1.00000
Pu1 Pu 0.92354 0.17354 0.75000 1.00000
Pu2 Pu 0.23928 0.48928 0.75000 1.00000
Pu3 Pu 0.07646 0.82646 0.25000 1.00000
Pu4 Pu 0.76072 0.51072 0.25000 1.00000
Hg1 Hg 0.64523 0.66860 0.97663 1.00000
Hg2 Hg 0.80803 0.33140 0.47663 1.00000
Hg3 Hg 0.00000 0.00000 0.00000 1.00000
Hg4 Hg 0.35477 0.33140 0.02337 1.00000
Hg5 Hg 0.50000 0.00000 0.50000 1.00000
Hg6 Hg 0.19197 0.66860 0.52337 1.00000
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