Ce6Tc2Ir
Alexandria ALEXAlex-ID: agm005806387 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Ce5Ir3 Ce7Ir3 Ce2Tc
2023-07-10 12:44:54.756009
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806387).
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 agm005806387
data_agm005806387
_cell_length_a 8.24731
_cell_length_b 8.24731
_cell_length_c 8.24731
_cell_angle_alpha 100.56586
_cell_angle_beta 111.19534
_cell_angle_gamma 117.07047
_cell_volume 422.85676
_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
Ce1 Ce 0.52999 0.70962 0.82036 1.00000
Ce2 Ce 0.47001 0.29038 0.17964 1.00000
Ce3 Ce 0.11074 0.29038 0.82036 1.00000
Ce4 Ce 0.88926 0.70962 0.17964 1.00000
Ce5 Ce 0.81231 0.75973 0.57204 1.00000
Ce6 Ce 0.18769 0.24027 0.42796 1.00000
Ce7 Ce 0.18769 0.75973 0.94742 1.00000
Ce8 Ce 0.81231 0.24027 0.05258 1.00000
Ce9 Ce 0.71267 0.37483 0.66216 1.00000
Ce10 Ce 0.28733 0.62517 0.33784 1.00000
Ce11 Ce 0.28733 0.94949 0.66216 1.00000
Ce12 Ce 0.71267 0.05051 0.33784 1.00000
Tc1 Tc 0.50000 0.35775 0.85775 1.00000
Tc2 Tc 0.50000 0.64224 0.14225 1.00000
Tc3 Tc 0.67218 1.00000 0.67218 1.00000
Tc4 Tc 0.32782 0.00000 0.32782 1.00000
Ir1 Ir 0.00000 0.50000 0.50000 1.00000
Ir2 Ir 0.00000 0.00000 0.00000 1.00000
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