PmGa3Ru2
Alexandria ALEXAlex-ID: agm036201005 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1821_spg12
Pm2Ga9Ru5 PmGaRu Ru
2025-04-14 01:44:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036201005).
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 agm036201005
data_agm036201005
_cell_length_a 8.39056
_cell_length_b 8.39056
_cell_length_c 10.28877
_cell_angle_alpha 76.34861
_cell_angle_beta 103.65139
_cell_angle_gamma 152.63882
_cell_volume 322.93670
_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 0.85733 0.14267 0.29517 1.00000
Pm2 Pm 0.14267 0.85733 0.70483 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.93488 0.06512 0.62893 1.00000
Ga2 Ga 0.06512 0.93488 0.37107 1.00000
Ga3 Ga 0.77603 0.22397 0.66264 1.00000
Ga4 Ga 0.22397 0.77603 0.33736 1.00000
Ga5 Ga 0.35901 0.64099 0.81366 1.00000
Ga6 Ga 0.64099 0.35901 0.18634 1.00000
Ga7 Ga 0.50000 0.50000 0.50000 1.00000
Ga8 Ga 0.64020 0.35980 0.93462 1.00000
Ga9 Ga 0.35980 0.64020 0.06538 1.00000
Ru1 Ru 0.79111 0.20889 0.92043 1.00000
Ru2 Ru 0.20889 0.79111 0.07957 1.00000
Ru3 Ru 0.50465 0.49535 0.75850 1.00000
Ru4 Ru 0.49535 0.50465 0.24150 1.00000
Ru5 Ru 0.66172 0.33828 0.44890 1.00000
Ru6 Ru 0.33828 0.66172 0.55110 1.00000
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