ZrTi(Te3Pt)2
Alexandria ALEXAlex-ID: agm070965995 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_2691_spg212
Te2Pt ZrTe2 TiTe2 ZrPt3
2024-08-07 08:33:25.097129
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070965995).
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 agm070965995
data_agm070965995
_cell_length_a 10.99405
_cell_length_b 10.99405
_cell_length_c 10.99405
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1328.84093
_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 0.12500 0.12500 0.12500 1.00000
Zr2 Zr 0.37500 0.87500 0.62500 1.00000
Zr3 Zr 0.87500 0.62500 0.37500 1.00000
Zr4 Zr 0.62500 0.37500 0.87500 1.00000
Ti1 Ti 0.62500 0.62500 0.62500 1.00000
Ti2 Ti 0.87500 0.37500 0.12500 1.00000
Ti3 Ti 0.37500 0.12500 0.87500 1.00000
Ti4 Ti 0.12500 0.87500 0.37500 1.00000
Te1 Te 0.61029 0.63656 0.89883 1.00000
Te2 Te 0.88971 0.36344 0.39883 1.00000
Te3 Te 0.38971 0.13656 0.60117 1.00000
Te4 Te 0.11029 0.86344 0.10117 1.00000
Te5 Te 0.89883 0.61029 0.63656 1.00000
Te6 Te 0.39883 0.88971 0.36344 1.00000
Te7 Te 0.60117 0.38971 0.13656 1.00000
Te8 Te 0.10117 0.11029 0.86344 1.00000
Te9 Te 0.63656 0.89883 0.61029 1.00000
Te10 Te 0.36344 0.39883 0.88971 1.00000
Te11 Te 0.13656 0.60117 0.38971 1.00000
Te12 Te 0.86344 0.10117 0.11029 1.00000
Te13 Te 0.88656 0.36029 0.85117 1.00000
Te14 Te 0.61344 0.63971 0.35117 1.00000
Te15 Te 0.38656 0.13971 0.14883 1.00000
Te16 Te 0.11344 0.86029 0.64883 1.00000
Te17 Te 0.86029 0.64883 0.11344 1.00000
Te18 Te 0.13971 0.14883 0.38656 1.00000
Te19 Te 0.63971 0.35117 0.61344 1.00000
Te20 Te 0.36029 0.85117 0.88656 1.00000
Te21 Te 0.14883 0.38656 0.13971 1.00000
Te22 Te 0.64883 0.11344 0.86029 1.00000
Te23 Te 0.85117 0.88656 0.36029 1.00000
Te24 Te 0.35117 0.61344 0.63971 1.00000
Pt1 Pt 0.49365 0.49365 0.49365 1.00000
Pt2 Pt 0.00635 0.50635 0.99365 1.00000
Pt3 Pt 0.50635 0.99365 0.00635 1.00000
Pt4 Pt 0.99365 0.00635 0.50635 1.00000
Pt5 Pt 0.74365 0.24365 0.25635 1.00000
Pt6 Pt 0.75635 0.75635 0.75635 1.00000
Pt7 Pt 0.24365 0.25635 0.74365 1.00000
Pt8 Pt 0.25635 0.74365 0.24365 1.00000
