PmEr5Au6
Alexandria ALEXAlex-ID: agm006106986 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
ErAu PmAu
2023-09-03 09:36:54.837832
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006106986).
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 agm006106986
data_agm006106986
_cell_length_a 5.09154
_cell_length_b 7.11102
_cell_length_c 8.83122
_cell_angle_alpha 113.74144
_cell_angle_beta 106.75464
_cell_angle_gamma 89.99940
_cell_volume 277.79202
_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 0.66550 0.16549 0.33099 1.00000
Er2 Er 0.33241 0.33241 0.66482 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
Er4 Er 0.66759 0.66759 0.33518 1.00000
Er5 Er 0.33450 0.83451 0.66901 1.00000
Au1 Au 0.82878 0.57227 0.65763 1.00000
Au2 Au 0.82885 0.08535 0.65763 1.00000
Au3 Au 0.50000 0.73622 0.00000 1.00000
Au4 Au 0.50000 0.26378 1.00000 1.00000
Au5 Au 0.17115 0.91465 0.34237 1.00000
Au6 Au 0.17122 0.42773 0.34237 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
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