Pm12In5Ga2
Alexandria ALEXAlex-ID: agm003370643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_50_spg12
Pm5In3 Pm3In PmGa
2022-02-06 21:14:35.560279
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370643).
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 agm003370643
data_agm003370643
_cell_length_a 8.72776
_cell_length_b 8.99387
_cell_length_c 8.52701
_cell_angle_alpha 84.18125
_cell_angle_beta 90.00000
_cell_angle_gamma 119.02599
_cell_volume 581.32218
_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 0.94942 0.89884 0.16124 1.00000
Pm2 Pm 0.02865 0.67299 0.85040 1.00000
Pm3 Pm 0.64434 0.67299 0.85040 1.00000
Pm4 Pm 0.13492 0.72086 0.41210 1.00000
Pm5 Pm 0.58594 0.72086 0.41210 1.00000
Pm6 Pm 0.46208 0.92416 0.71050 1.00000
Pm7 Pm 0.53792 0.07584 0.28950 1.00000
Pm8 Pm 0.86508 0.27914 0.58790 1.00000
Pm9 Pm 0.41406 0.27914 0.58790 1.00000
Pm10 Pm 0.97135 0.32701 0.14960 1.00000
Pm11 Pm 0.35566 0.32701 0.14960 1.00000
Pm12 Pm 0.05058 0.10116 0.83876 1.00000
In1 In 0.25535 0.51071 0.71197 1.00000
In2 In 0.35473 0.70945 0.09138 1.00000
In3 In 0.00000 0.00000 0.50000 1.00000
In4 In 0.64527 0.29055 0.90862 1.00000
In5 In 0.74465 0.48929 0.28803 1.00000
Ga1 Ga 0.69682 0.00000 0.00000 1.00000
Ga2 Ga 0.30318 1.00000 1.00000 1.00000
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