PmEr2Sn3
Alexandria ALEXAlex-ID: agm003418009 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1353_spg12
Er11Sn10 Pm2Er3Sn4 PmSn2
2022-02-14 20:17:07.788652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418009).
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 agm003418009
data_agm003418009
_cell_length_a 5.75187
_cell_length_b 7.61719
_cell_length_c 9.19460
_cell_angle_alpha 80.66527
_cell_angle_beta 64.55733
_cell_angle_gamma 67.81747
_cell_volume 336.84992
_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 0.66327 0.67346 1.00000 1.00000
Pm2 Pm 0.33673 0.32654 0.00000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.50000 0.00000 0.50000 1.00000
Er3 Er 0.17167 0.65665 0.50000 1.00000
Er4 Er 0.82833 0.34335 0.50000 1.00000
Sn1 Sn 0.39915 0.67229 0.74835 1.00000
Sn2 Sn 0.22765 1.00000 0.26154 1.00000
Sn3 Sn 0.60085 0.32771 0.25165 1.00000
Sn4 Sn 0.92856 0.67229 0.25165 1.00000
Sn5 Sn 0.07144 0.32771 0.74835 1.00000
Sn6 Sn 0.77235 0.00000 0.73846 1.00000
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