Ce3Zn6Ga5
Alexandria ALEXAlex-ID: agm005708933 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C6_16_spg59
CeZn3Ga Ce(ZnGa)2 CeGa2
2023-06-30 15:58:10.154796
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708933).
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 agm005708933
data_agm005708933
_cell_length_a 4.34348
_cell_length_b 9.57051
_cell_length_c 12.87378
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 535.15455
_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
Ce1 Ce 0.00000 0.24806 0.68723 1.00000
Ce2 Ce 0.50000 0.75194 0.18723 1.00000
Ce3 Ce 0.50000 0.75194 0.81277 1.00000
Ce4 Ce 0.00000 0.24895 0.00000 1.00000
Ce5 Ce 0.50000 0.75105 0.50000 1.00000
Ce6 Ce 0.00000 0.24806 0.31277 1.00000
Zn1 Zn 0.00000 0.97966 0.85102 1.00000
Zn2 Zn 0.50000 0.02034 0.64898 1.00000
Zn3 Zn 0.50000 0.38630 0.83663 1.00000
Zn4 Zn 0.50000 0.54129 0.00000 1.00000
Zn5 Zn 0.00000 0.45871 0.50000 1.00000
Zn6 Zn 0.00000 0.61370 0.66337 1.00000
Zn7 Zn 0.00000 0.61370 0.33663 1.00000
Zn8 Zn 0.50000 0.96386 0.00000 1.00000
Zn9 Zn 0.00000 0.97966 0.14898 1.00000
Zn10 Zn 0.50000 0.38630 0.16337 1.00000
Zn11 Zn 0.00000 0.03614 0.50000 1.00000
Zn12 Zn 0.50000 0.02034 0.35102 1.00000
Ga1 Ga 0.00000 0.52681 0.86006 1.00000
Ga2 Ga 0.00000 0.87479 0.65982 1.00000
Ga3 Ga 0.00000 0.76862 0.00000 1.00000
Ga4 Ga 0.50000 0.47319 0.63994 1.00000
Ga5 Ga 0.50000 0.23138 0.50000 1.00000
Ga6 Ga 0.00000 0.52681 0.13994 1.00000
Ga7 Ga 0.50000 0.47319 0.36006 1.00000
Ga8 Ga 0.00000 0.87479 0.34018 1.00000
Ga9 Ga 0.50000 0.12521 0.84018 1.00000
Ga10 Ga 0.50000 0.12521 0.15982 1.00000
