ErCu3Sn2
Alexandria ALEXAlex-ID: agm035240102 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5789_spg12
ErCuSn Sn Cu
2025-04-14 22:00:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035240102).
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 agm035240102
data_agm035240102
_cell_length_a 8.95219
_cell_length_b 8.95219
_cell_length_c 9.11522
_cell_angle_alpha 91.46289
_cell_angle_beta 88.53711
_cell_angle_gamma 152.01584
_cell_volume 342.65682
_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 0.20342 0.79658 0.25685 1.00000
Er2 Er 0.79658 0.20342 0.74315 1.00000
Er3 Er 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.00902 0.99098 0.83863 1.00000
Cu2 Cu 0.99098 0.00902 0.16137 1.00000
Cu3 Cu 0.21947 0.78053 0.92720 1.00000
Cu4 Cu 0.78053 0.21947 0.07280 1.00000
Cu5 Cu 0.58324 0.41676 0.71680 1.00000
Cu6 Cu 0.41676 0.58324 0.28320 1.00000
Cu7 Cu 0.50000 0.50000 0.00000 1.00000
Cu8 Cu 0.32372 0.67628 0.51491 1.00000
Cu9 Cu 0.67628 0.32372 0.48509 1.00000
Sn1 Sn 0.17211 0.82789 0.64805 1.00000
Sn2 Sn 0.82789 0.17211 0.35195 1.00000
Sn3 Sn 0.43313 0.56687 0.71317 1.00000
Sn4 Sn 0.56687 0.43313 0.28683 1.00000
Sn5 Sn 0.35835 0.64165 0.01214 1.00000
Sn6 Sn 0.64165 0.35835 0.98786 1.00000
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