PmGa3Ni2
Alexandria ALEXAlex-ID: agm034696806 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1821_spg12
Pm2Ga5Ni3 GaNi
2025-04-14 05:09:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034696806).
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 agm034696806
data_agm034696806
_cell_length_a 8.30523
_cell_length_b 8.30523
_cell_length_c 9.74710
_cell_angle_alpha 73.59846
_cell_angle_beta 106.40154
_cell_angle_gamma 151.93398
_cell_volume 302.62626
_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
Pm1 Pm 0.15329 0.84671 0.70217 1.00000
Pm2 Pm 0.84671 0.15329 0.29783 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.04979 0.95021 0.35329 1.00000
Ga2 Ga 0.95021 0.04979 0.64671 1.00000
Ga3 Ga 0.22111 0.77889 0.38284 1.00000
Ga4 Ga 0.77889 0.22111 0.61716 1.00000
Ga5 Ga 0.63460 0.36540 0.19519 1.00000
Ga6 Ga 0.36540 0.63460 0.80481 1.00000
Ga7 Ga 0.50000 0.50000 0.50000 1.00000
Ga8 Ga 0.34385 0.65615 0.05261 1.00000
Ga9 Ga 0.65615 0.34385 0.94739 1.00000
Ni1 Ni 0.20518 0.79482 0.10838 1.00000
Ni2 Ni 0.79482 0.20518 0.89162 1.00000
Ni3 Ni 0.48688 0.51312 0.23314 1.00000
Ni4 Ni 0.51312 0.48688 0.76686 1.00000
Ni5 Ni 0.36104 0.63896 0.55672 1.00000
Ni6 Ni 0.63896 0.36104 0.44328 1.00000
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