ErTi(SnPd2)2
Alexandria ALEXAlex-ID: agm032145117 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
TiSnPd2 ErSnPd2
2025-07-01 12:51:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032145117).
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
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# CIF generated by HEAS from Alexandria entry agm032145117
data_agm032145117
_cell_length_a 4.62763
_cell_length_b 4.62763
_cell_length_c 8.15410
_cell_angle_alpha 74.97380
_cell_angle_beta 105.02620
_cell_angle_gamma 119.24763
_cell_volume 145.31643
_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 0.50000 0.50000 0.00000 1.00000
Ti1 Ti 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.24721 0.75279 0.25542 1.00000
Sn2 Sn 0.75279 0.24721 0.74458 1.00000
Pd1 Pd 0.62469 0.37531 0.38843 1.00000
Pd2 Pd 0.11823 0.88177 0.84158 1.00000
Pd3 Pd 0.88177 0.11823 0.15842 1.00000
Pd4 Pd 0.37531 0.62469 0.61157 1.00000
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