Ac3TeRhI
Alexandria ALEXAlex-ID: agm005036632 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_451_spg11
AcTe Ac2RhI
2022-07-09 17:22:20.929694
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005036632).
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 agm005036632
data_agm005036632
_cell_length_a 4.17498
_cell_length_b 8.88803
_cell_length_c 12.14867
_cell_angle_alpha 107.52061
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 429.89198
_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 0.25000 0.72054 0.54439 1.00000
Ac2 Ac 0.75000 0.83373 0.07611 1.00000
Ac3 Ac 0.75000 0.47997 0.20247 1.00000
Ac4 Ac 0.75000 0.27946 0.45561 1.00000
Ac5 Ac 0.25000 0.52003 0.79753 1.00000
Ac6 Ac 0.25000 0.16627 0.92389 1.00000
Te1 Te 0.75000 0.83336 0.78525 1.00000
Te2 Te 0.25000 0.16664 0.21475 1.00000
Rh1 Rh 0.25000 0.59325 0.05976 1.00000
Rh2 Rh 0.75000 0.40675 0.94024 1.00000
I1 I 0.25000 0.13573 0.62849 1.00000
I2 I 0.75000 0.86427 0.37151 1.00000
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