Tm2Cu3Pd
Alexandria ALEXAlex-ID: agm019549321 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_139_spg8
Tm2Cu7 TmCu2 TmPd
2025-04-13 20:12:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019549321).
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
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# CIF generated by HEAS from Alexandria entry agm019549321
data_agm019549321
_cell_length_a 5.46522
_cell_length_b 5.46522
_cell_length_c 6.65410
_cell_angle_alpha 52.24510
_cell_angle_beta 127.75490
_cell_angle_gamma 133.67031
_cell_volume 107.24071
_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 0.54835 0.45165 0.79442 1.00000
Tm2 Tm 0.45409 0.54591 0.20121 1.00000
Cu1 Cu 0.82522 0.17478 0.38120 1.00000
Cu2 Cu 0.84900 0.15100 0.79581 1.00000
Cu3 Cu 0.16600 0.83400 0.21219 1.00000
Pd1 Pd 0.15910 0.84090 0.61516 1.00000
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