Ta(CuAu2)4
Alexandria ALEXAlex-ID: agm097462000 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1674_spg1
Cu2Au5 Cu Ta3Au2
2025-06-15 05:33:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097462000).
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 agm097462000
data_agm097462000
_cell_length_a 4.77686
_cell_length_b 7.67014
_cell_length_c 7.39449
_cell_angle_alpha 59.30672
_cell_angle_beta 73.02615
_cell_angle_gamma 83.46955
_cell_volume 222.62059
_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
Ta1 Ta 0.35532 0.92807 0.14393 1.00000
Cu1 Cu 0.87739 0.13162 0.00200 1.00000
Cu2 Cu 0.84540 0.49568 0.90797 1.00000
Cu3 Cu 0.32616 0.50586 0.44079 1.00000
Cu4 Cu 0.87598 0.00198 0.41337 1.00000
Au1 Au 0.42741 0.21132 0.26638 1.00000
Au2 Au 0.28333 0.62082 0.03974 1.00000
Au3 Au 0.29893 0.77218 0.58553 1.00000
Au4 Au 0.31996 0.08215 0.70998 1.00000
Au5 Au 0.82397 0.72496 0.31388 1.00000
Au6 Au 0.86252 0.30949 0.48142 1.00000
Au7 Au 0.39959 0.35262 0.84271 1.00000
Au8 Au 0.80402 0.86325 0.85230 1.00000
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