Te6Ir2Pt
Alexandria ALEXAlex-ID: agm017019560 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_4055_spg12
Te4IrPt Te2Ir
2024-11-26 20:32:55.653064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017019560).
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 agm017019560
data_agm017019560
_cell_length_a 6.29416
_cell_length_b 6.29416
_cell_length_c 12.30228
_cell_angle_alpha 60.50385
_cell_angle_beta 119.49615
_cell_angle_gamma 141.93902
_cell_volume 256.49509
_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 0.99695 0.00305 0.77887 1.00000
Te2 Te 0.33542 0.66458 0.45194 1.00000
Te3 Te 0.66458 0.33542 0.54806 1.00000
Te4 Te 0.32828 0.67172 0.88236 1.00000
Te5 Te 0.67172 0.32828 0.11764 1.00000
Te6 Te 0.00305 0.99695 0.22113 1.00000
Ir1 Ir 0.33091 0.66909 0.66684 1.00000
Ir2 Ir 0.66909 0.33091 0.33316 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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