Ti2Zn3Pd2
Alexandria ALEXAlex-ID: agm003312296 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_195_spg12
Zn2Pd TiZnPd Ti2Zn9Pd
2022-02-04 00:26:23.958810
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003312296).
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 agm003312296
data_agm003312296
_cell_length_a 4.49645
_cell_length_b 5.29767
_cell_length_c 4.96605
_cell_angle_alpha 96.51414
_cell_angle_beta 90.00000
_cell_angle_gamma 115.11146
_cell_volume 106.26999
_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
Ti1 Ti 0.57269 0.14537 0.29376 1.00000
Ti2 Ti 0.42731 0.85463 0.70624 1.00000
Zn1 Zn 0.27540 0.55079 0.14973 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Zn3 Zn 0.72460 0.44921 0.85027 1.00000
Pd1 Pd 0.14281 0.28561 0.58788 1.00000
Pd2 Pd 0.85719 0.71439 0.41212 1.00000
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