Pm2GaCu3
Alexandria ALEXAlex-ID: agm003412596 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_194_spg69
PmGaCu PmCu2
2022-02-12 23:30:02.423000
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003412596).
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 agm003412596
data_agm003412596
_cell_length_a 5.73682
_cell_length_b 5.73682
_cell_length_c 8.65582
_cell_angle_alpha 112.09171
_cell_angle_beta 112.09171
_cell_angle_gamma 82.24697
_cell_volume 244.57188
_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 0.75000 0.25000 0.50000 1.00000
Pm2 Pm 0.76013 0.23987 0.00000 1.00000
Pm3 Pm 0.25000 0.75000 0.50000 1.00000
Pm4 Pm 0.23987 0.76013 0.00000 1.00000
Ga1 Ga 0.66580 0.66580 0.33160 1.00000
Ga2 Ga 0.33420 0.33420 0.66840 1.00000
Cu1 Cu 0.83115 0.83115 0.16581 1.00000
Cu2 Cu 0.66534 0.66534 0.83419 1.00000
Cu3 Cu 0.16885 0.16885 0.83419 1.00000
Cu4 Cu 0.33466 0.33466 0.16581 1.00000
Cu5 Cu 0.16662 0.16662 0.33324 1.00000
Cu6 Cu 0.83338 0.83338 0.66676 1.00000
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