PrEr2Sb3
Alexandria ALEXAlex-ID: agm005656457 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
ErSb PrSb
2023-08-24 17:26:52.082862
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656457).
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 agm005656457
data_agm005656457
_cell_length_a 4.42194
_cell_length_b 6.26584
_cell_length_c 7.65771
_cell_angle_alpha 114.14953
_cell_angle_beta 106.78163
_cell_angle_gamma 90.00000
_cell_volume 183.65691
_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
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.83541 0.83541 0.17081 1.00000
Er2 Er 0.16459 0.16459 0.82919 1.00000
Sb1 Sb 0.82614 0.32614 0.15228 1.00000
Sb2 Sb 0.17386 0.67386 0.84772 1.00000
Sb3 Sb 0.50000 0.00000 0.50000 1.00000
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