Ac3Te2Ir
Alexandria ALEXAlex-ID: agm034974925 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_32_spg12
Ac3Te2Ir
2024-12-12 08:40:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034974925).
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
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# CIF generated by HEAS from Alexandria entry agm034974925
data_agm034974925
_cell_length_a 10.49064
_cell_length_b 10.49064
_cell_length_c 9.64599
_cell_angle_alpha 74.19803
_cell_angle_beta 105.80197
_cell_angle_gamma 155.15038
_cell_volume 428.41982
_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
Ac1 Ac 0.32608 0.67392 0.87257 1.00000
Ac2 Ac 0.67774 0.32226 0.56102 1.00000
Ac3 Ac 0.67392 0.32608 0.12743 1.00000
Ac4 Ac 0.01973 0.98027 0.26301 1.00000
Ac5 Ac 0.98027 0.01973 0.73699 1.00000
Ac6 Ac 0.32226 0.67774 0.43898 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.50000 0.50000 0.50000 1.00000
Te3 Te 0.84361 0.15639 0.15896 1.00000
Te4 Te 0.15639 0.84361 0.84104 1.00000
Ir1 Ir 0.83039 0.16961 0.66174 1.00000
Ir2 Ir 0.16961 0.83039 0.33826 1.00000
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