Th6Co3Ir2Pd
Alexandria ALEXAlex-ID: agm004618445 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Th3Ir2Pd ThCo
2022-06-27 02:34:32.124935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004618445).
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 agm004618445
data_agm004618445
_cell_length_a 4.03540
_cell_length_b 8.15262
_cell_length_c 9.09581
_cell_angle_alpha 103.90305
_cell_angle_beta 102.81639
_cell_angle_gamma 90.00000
_cell_volume 282.79022
_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
Th1 Th 0.32759 0.92270 0.65519 1.00000
Th2 Th 0.66571 0.58508 0.33141 1.00000
Th3 Th 0.67241 0.07730 0.34481 1.00000
Th4 Th 0.99733 0.26525 0.99465 1.00000
Th5 Th 0.00267 0.73475 0.00535 1.00000
Th6 Th 0.33429 0.41492 0.66859 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Co2 Co 0.83570 0.16800 0.67139 1.00000
Co3 Co 0.16430 0.83200 0.32861 1.00000
Ir1 Ir 0.83558 0.67311 0.67117 1.00000
Ir2 Ir 0.16442 0.32689 0.32883 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
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