Tm6TcPd
Alexandria ALEXAlex-ID: agm003775751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_230_spg12
Tm2Pd Tm3Tc Tm
2022-04-20 07:10:45.941858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003775751).
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 agm003775751
data_agm003775751
_cell_length_a 6.64236
_cell_length_b 6.64200
_cell_length_c 6.34269
_cell_angle_alpha 58.42626
_cell_angle_beta 80.48926
_cell_angle_gamma 71.60461
_cell_volume 226.22382
_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
Tm1 Tm 0.74120 0.44007 0.64363 1.00000
Tm2 Tm 0.74120 0.08370 0.35637 1.00000
Tm3 Tm 0.25880 0.91630 0.64363 1.00000
Tm4 Tm 0.25880 0.55993 0.35637 1.00000
Tm5 Tm 0.74276 0.75268 1.00000 1.00000
Tm6 Tm 0.25724 0.24732 0.00000 1.00000
Tc1 Tc 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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