Pa3(Ga2Ni)2
Alexandria ALEXAlex-ID: agm005609080 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_664_spg12
PaGaNi Pa7Ga PaGa3
2023-06-27 17:06:35.396606
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609080).
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 agm005609080
data_agm005609080
_cell_length_a 4.38240
_cell_length_b 5.61485
_cell_length_c 7.94782
_cell_angle_alpha 72.47658
_cell_angle_beta 73.99638
_cell_angle_gamma 67.02987
_cell_volume 168.89504
_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
Pa1 Pa 0.31930 0.71067 0.65073 1.00000
Pa2 Pa 0.00000 0.00000 0.00000 1.00000
Pa3 Pa 0.68070 0.28933 0.34927 1.00000
Ga1 Ga 0.28130 0.37775 0.05965 1.00000
Ga2 Ga 0.71870 0.62225 0.94035 1.00000
Ga3 Ga 0.03146 0.30456 0.63251 1.00000
Ga4 Ga 0.96854 0.69544 0.36749 1.00000
Ni1 Ni 0.40736 0.91797 0.26730 1.00000
Ni2 Ni 0.59264 0.08203 0.73270 1.00000
Get direct link