Tc3PdO12
Alexandria ALEXAlex-ID: agm079849009 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_477_spg1
Tc2O7 Pd2O3
2025-02-26 08:55:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079849009).
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 agm079849009
data_agm079849009
_cell_length_a 6.83547
_cell_length_b 6.41059
_cell_length_c 8.16400
_cell_angle_alpha 99.54227
_cell_angle_beta 92.20790
_cell_angle_gamma 81.26573
_cell_volume 348.66815
_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
Tc1 Tc 0.61206 0.93643 0.56856 1.00000
Tc2 Tc 0.41645 0.51095 0.93267 1.00000
Tc3 Tc 0.13164 0.40318 0.34728 1.00000
Pd1 Pd 0.65007 0.27200 0.27024 1.00000
O1 O 0.51475 0.42566 0.73759 1.00000
O2 O 0.60507 0.43338 0.08894 1.00000
O3 O 0.10713 0.42673 0.55683 1.00000
O4 O 0.11984 0.65519 0.30053 1.00000
O5 O 0.71040 0.95977 0.76579 1.00000
O6 O 0.35934 0.98578 0.57756 1.00000
O7 O 0.94185 0.26904 0.24088 1.00000
O8 O 0.36376 0.24498 0.28243 1.00000
O9 O 0.36059 0.78464 0.96612 1.00000
O10 O 0.20644 0.40015 0.94742 1.00000
O11 O 0.68005 0.67836 0.46724 1.00000
O12 O 0.72057 0.11375 0.44991 1.00000
Get direct link