Pm3ErAu3
Alexandria ALEXAlex-ID: agm003545313 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_288_spg12
Pm2Au ErAu PmAu
2022-04-04 03:43:47.782586
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545313).
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 agm003545313
data_agm003545313
_cell_length_a 7.28473
_cell_length_b 7.28473
_cell_length_c 7.30878
_cell_angle_alpha 91.01096
_cell_angle_beta 91.01096
_cell_angle_gamma 96.22957
_cell_volume 385.43228
_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
Pm1 Pm 0.65614 0.65614 0.38264 1.00000
Pm2 Pm 0.17870 0.82130 0.50000 1.00000
Pm3 Pm 0.82130 0.17870 0.50000 1.00000
Pm4 Pm 0.25974 0.74026 0.00000 1.00000
Pm5 Pm 0.74026 0.25974 0.00000 1.00000
Pm6 Pm 0.34386 0.34386 0.61736 1.00000
Er1 Er 0.74555 0.74555 0.88413 1.00000
Er2 Er 0.25445 0.25445 0.11587 1.00000
Au1 Au 0.93725 0.93725 0.18730 1.00000
Au2 Au 0.97643 0.50395 0.72216 1.00000
Au3 Au 0.50395 0.97643 0.72216 1.00000
Au4 Au 0.02357 0.49605 0.27784 1.00000
Au5 Au 0.49605 0.02357 0.27784 1.00000
Au6 Au 0.06275 0.06275 0.81270 1.00000
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