Zr2TePt2
Alexandria ALEXAlex-ID: agm002952055 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
Zr7Pt10 Zr3Te4 ZrPt3
2017-06-25 09:02:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002952055).
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 agm002952055
data_agm002952055
_cell_length_a 4.69443
_cell_length_b 4.69443
_cell_length_c 6.21878
_cell_angle_alpha 67.82482
_cell_angle_beta 67.82482
_cell_angle_gamma 90.00000
_cell_volume 115.89018
_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
Te1 Te 0.00000 0.00000 0.00000 1.00000
Zr1 Zr 0.75000 0.25000 0.50000 1.00000
Zr2 Zr 0.25000 0.75000 0.50000 1.00000
Pt1 Pt 0.37520 0.37520 0.24960 1.00000
Pt2 Pt 0.62480 0.62480 0.75040 1.00000
