Pr2Er3Sn4
Alexandria ALEXAlex-ID: agm005682014 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_763_spg14
Pr2Er3Sn4
2023-06-28 23:33:01.551089
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682014).
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 agm005682014
data_agm005682014
_cell_length_a 8.03872
_cell_length_b 8.31102
_cell_length_c 8.31722
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 110.32014
_cell_volume 521.09173
_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 0.56287 0.19236 0.32315 1.00000
Pr2 Pr 0.93713 0.80764 0.82315 1.00000
Pr3 Pr 0.43713 0.80764 0.67685 1.00000
Pr4 Pr 0.06287 0.19236 0.17685 1.00000
Er1 Er 0.00000 0.50000 0.50000 1.00000
Er2 Er 0.50000 0.50000 0.00000 1.00000
Er3 Er 0.74290 0.24792 0.83277 1.00000
Er4 Er 0.75710 0.75208 0.33277 1.00000
Er5 Er 0.25710 0.75208 0.16723 1.00000
Er6 Er 0.24290 0.24792 0.66723 1.00000
Sn1 Sn 0.84439 0.08279 0.54057 1.00000
Sn2 Sn 0.65561 0.91721 0.04057 1.00000
Sn3 Sn 0.15561 0.91721 0.45943 1.00000
Sn4 Sn 0.34439 0.08279 0.95943 1.00000
Sn5 Sn 0.86293 0.49062 0.13467 1.00000
Sn6 Sn 0.63707 0.50938 0.63467 1.00000
Sn7 Sn 0.13707 0.50938 0.86533 1.00000
Sn8 Sn 0.36293 0.49062 0.36533 1.00000
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