ZrTi2Pd
Alexandria ALEXAlex-ID: agm005779819 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_352_spg11
Zr2Ti3Pd Ti2Pd Zr2Pd
2023-07-13 16:53:58.986455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779819).
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 agm005779819
data_agm005779819
_cell_length_a 3.04079
_cell_length_b 7.12836
_cell_length_c 7.05800
_cell_angle_alpha 74.18838
_cell_angle_beta 90.00017
_cell_angle_gamma 90.00015
_cell_volume 147.19926
_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
Zr1 Zr 0.75000 0.78793 0.62788 1.00000
Zr2 Zr 0.25000 0.21207 0.37212 1.00000
Ti1 Ti 0.75000 0.33970 0.99144 1.00000
Ti2 Ti 0.25000 0.66030 0.00856 1.00000
Ti3 Ti 0.25000 0.05218 0.82560 1.00000
Ti4 Ti 0.75000 0.94782 0.17440 1.00000
Pd1 Pd 0.25000 0.43376 0.67181 1.00000
Pd2 Pd 0.75000 0.56624 0.32819 1.00000
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