Cu3Te12(PtRh2)2
Alexandria ALEXAlex-ID: agm009456773 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D12_47_spg12
Te6Pt2Rh Cu Te2Rh
2024-12-26 12:40:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009456773).
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 agm009456773
data_agm009456773
_cell_length_a 7.90429
_cell_length_b 7.90429
_cell_length_c 19.41905
_cell_angle_alpha 89.87986
_cell_angle_beta 90.12014
_cell_angle_gamma 120.12550
_cell_volume 1049.37957
_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
Cu1 Cu 0.33323 0.66677 0.04083 1.00000
Cu2 Cu 0.99851 0.00149 0.37320 1.00000
Cu3 Cu 0.66516 0.33484 0.70799 1.00000
Cu4 Cu 0.33484 0.66516 0.29201 1.00000
Cu5 Cu 0.00149 0.99851 0.62680 1.00000
Cu6 Cu 0.66677 0.33323 0.95917 1.00000
Te1 Te 0.15360 0.84640 0.08833 1.00000
Te2 Te 0.82038 0.17962 0.42172 1.00000
Te3 Te 0.48589 0.51411 0.75601 1.00000
Te4 Te 0.00042 0.99958 0.23845 1.00000
Te5 Te 0.66914 0.33086 0.57259 1.00000
Te6 Te 0.33303 0.66697 0.90608 1.00000
Te7 Te 0.15371 0.30656 0.08848 1.00000
Te8 Te 0.82388 0.63989 0.42056 1.00000
Te9 Te 0.48613 0.97380 0.75582 1.00000
Te10 Te 0.69344 0.84629 0.08848 1.00000
Te11 Te 0.36011 0.17612 0.42056 1.00000
Te12 Te 0.02620 0.51387 0.75582 1.00000
Te13 Te 0.51411 0.48589 0.24399 1.00000
Te14 Te 0.17962 0.82038 0.57828 1.00000
Te15 Te 0.84640 0.15360 0.91167 1.00000
Te16 Te 0.66697 0.33303 0.09392 1.00000
Te17 Te 0.33086 0.66914 0.42741 1.00000
Te18 Te 0.99958 0.00042 0.76155 1.00000
Te19 Te 0.51387 0.02620 0.24418 1.00000
Te20 Te 0.17612 0.36011 0.57944 1.00000
Te21 Te 0.84629 0.69344 0.91152 1.00000
Te22 Te 0.97380 0.48613 0.24418 1.00000
Te23 Te 0.63989 0.82388 0.57944 1.00000
Te24 Te 0.30656 0.15371 0.91152 1.00000
Pt1 Pt 0.66747 0.33253 0.33262 1.00000
Pt2 Pt 0.33253 0.66747 0.66738 1.00000
Pt3 Pt 0.00000 0.00000 0.00000 1.00000
Pt4 Pt 0.50000 0.50000 0.50000 1.00000
Rh1 Rh 0.16635 0.83365 0.83390 1.00000
Rh2 Rh 0.83365 0.16635 0.16610 1.00000
Rh3 Rh 0.00000 0.50000 0.50000 1.00000
Rh4 Rh 0.66623 0.83387 0.83391 1.00000
Rh5 Rh 0.33377 0.16613 0.16609 1.00000
Rh6 Rh 0.50000 0.00000 0.50000 1.00000
Rh7 Rh 0.16613 0.33377 0.83391 1.00000
Rh8 Rh 0.83387 0.66623 0.16609 1.00000
