Tm4ScCu5
Alexandria ALEXAlex-ID: agm062017865 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_70_spg2
ScCu TmCu
2025-02-12 22:46:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062017865).
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 agm062017865
data_agm062017865
_cell_length_a 7.55613
_cell_length_b 7.55613
_cell_length_c 5.87485
_cell_angle_alpha 75.15151
_cell_angle_beta 104.84849
_cell_angle_gamma 143.04342
_cell_volume 194.16032
_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 0.59977 0.40023 0.89765 1.00000
Tm2 Tm 0.19825 0.80175 0.30216 1.00000
Tm3 Tm 0.80175 0.19825 0.69784 1.00000
Tm4 Tm 0.40023 0.59977 0.10235 1.00000
Sc1 Sc 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.59643 0.40357 0.40331 1.00000
Cu2 Cu 0.19664 0.80336 0.79714 1.00000
Cu3 Cu 0.80336 0.19664 0.20286 1.00000
Cu4 Cu 0.40357 0.59643 0.59669 1.00000
Cu5 Cu 0.00000 0.00000 0.00000 1.00000
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