Pm(ErSc2)4
Alexandria ALEXAlex-ID: agm006066705 · Space group: Pm-3m (#221)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_5_spg221
Pm2Er7 PmEr8 Sc
2023-08-30 18:48:06.655757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006066705).
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 agm006066705
data_agm006066705
_cell_length_a 7.37297
_cell_length_b 7.37297
_cell_length_c 7.37297
_cell_angle_alpha 90.09471
_cell_angle_beta 90.09472
_cell_angle_gamma 90.09472
_cell_volume 400.79752
_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 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.50000 0.00000 0.50000 1.00000
Er2 Er 0.00000 0.50000 0.50000 1.00000
Er3 Er 0.50000 0.50000 0.00000 1.00000
Er4 Er 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.23837 0.76044 0.23837 1.00000
Sc2 Sc 0.76163 0.76163 0.23956 1.00000
Sc3 Sc 0.76163 0.23956 0.76163 1.00000
Sc4 Sc 0.23956 0.76163 0.76163 1.00000
Sc5 Sc 0.76122 0.76122 0.76122 1.00000
Sc6 Sc 0.23878 0.23878 0.23878 1.00000
Sc7 Sc 0.76044 0.23837 0.23837 1.00000
Sc8 Sc 0.23837 0.23837 0.76044 1.00000
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