Pm6Er5In
Alexandria ALEXAlex-ID: agm006116225 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
PmEr2 Pm3In Pm
2023-08-29 06:17:46.867220
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116225).
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 agm006116225
data_agm006116225
_cell_length_a 5.02447
_cell_length_b 9.41222
_cell_length_c 9.41222
_cell_angle_alpha 107.52531
_cell_angle_beta 105.48289
_cell_angle_gamma 105.48284
_cell_volume 378.71061
_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 0.50000 0.16703 0.83297 1.00000
Er2 Er 0.00000 0.33567 0.66433 1.00000
Er3 Er 0.50000 0.50000 0.50000 1.00000
Er4 Er 1.00000 0.66433 0.33567 1.00000
Er5 Er 0.50000 0.83297 0.16703 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.24614 0.07982 0.41241 1.00000
Pm2 Pm 0.75386 0.58759 0.92018 1.00000
Pm3 Pm 0.74538 0.24542 0.24542 1.00000
Pm4 Pm 0.25462 0.75458 0.75458 1.00000
Pm5 Pm 0.24614 0.41241 0.07982 1.00000
Pm6 Pm 0.75386 0.92018 0.58759 1.00000
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