Tm8Cu3Ag4Ir
Alexandria ALEXAlex-ID: agm045302563 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_71_spg123
Tm8Cu3Ag4Ir
2024-11-14 14:39:50.067309
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045302563).
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 agm045302563
data_agm045302563
_cell_length_a 6.97212
_cell_length_b 6.97212
_cell_length_c 7.05612
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00407
_cell_volume 343.00130
_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 0.74613 0.25387 0.26524 1.00000
Tm2 Tm 0.74618 0.74718 0.26539 1.00000
Tm3 Tm 0.74613 0.25387 0.73476 1.00000
Tm4 Tm 0.25282 0.25382 0.26539 1.00000
Tm5 Tm 0.74618 0.74718 0.73461 1.00000
Tm6 Tm 0.25275 0.74725 0.26551 1.00000
Tm7 Tm 0.25282 0.25382 0.73461 1.00000
Tm8 Tm 0.25275 0.74725 0.73449 1.00000
Cu1 Cu 0.99954 0.50022 0.50000 1.00000
Cu2 Cu 0.99931 0.00069 0.50000 1.00000
Cu3 Cu 0.49978 0.00046 0.50000 1.00000
Ag1 Ag 0.99953 0.00047 0.00000 1.00000
Ag2 Ag 0.99970 0.50057 0.00000 1.00000
Ag3 Ag 0.49943 0.00030 0.00000 1.00000
Ag4 Ag 0.49923 0.50077 0.00000 1.00000
Ir1 Ir 0.49948 0.50052 0.50000 1.00000
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