Zr(Ga2Cu)4
Alexandria ALEXAlex-ID: agm097345240 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_692_spg1
ZrGa3 Ga2Cu Zr(GaCu)6
2025-06-13 19:47:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097345240).
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 agm097345240
data_agm097345240
_cell_length_a 4.35991
_cell_length_b 7.67243
_cell_length_c 7.07224
_cell_angle_alpha 110.09316
_cell_angle_beta 97.21933
_cell_angle_gamma 85.18270
_cell_volume 220.20234
_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
Zr1 Zr 0.41480 0.06893 0.05695 1.00000
Ga1 Ga 0.97642 0.87734 0.16283 1.00000
Ga2 Ga 0.37845 0.44983 0.33012 1.00000
Ga3 Ga 0.30584 0.17926 0.61958 1.00000
Ga4 Ga 0.35437 0.80665 0.60592 1.00000
Ga5 Ga 0.89685 0.25758 0.35373 1.00000
Ga6 Ga 0.49947 0.73157 0.22010 1.00000
Ga7 Ga 0.68028 0.58008 0.82623 1.00000
Ga8 Ga 0.85481 0.23599 0.90382 1.00000
Cu1 Cu 0.88877 0.87090 0.80142 1.00000
Cu2 Cu 0.33151 0.42253 0.96247 1.00000
Cu3 Cu 0.13352 0.52893 0.64708 1.00000
Cu4 Cu 0.78492 0.99042 0.50977 1.00000
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