Pm2Ga2H5
Alexandria ALEXAlex-ID: agm007054886 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_214_spg12
PmH3 PmGa6
2024-01-27 17:30:15.233000
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007054886).
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
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# CIF generated by HEAS from Alexandria entry agm007054886
data_agm007054886
_cell_length_a 4.42410
_cell_length_b 4.44920
_cell_length_c 6.17939
_cell_angle_alpha 91.87357
_cell_angle_beta 105.25724
_cell_angle_gamma 87.50772
_cell_volume 117.20662
_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 0.29802 0.19867 0.68758 1.00000
Pm2 Pm 0.70198 0.80133 0.31242 1.00000
Ga1 Ga 0.18978 0.32854 0.14984 1.00000
Ga2 Ga 0.81022 0.67146 0.85016 1.00000
H1 H 0.05936 0.69231 0.67674 1.00000
H2 H 0.94064 0.30769 0.32326 1.00000
H3 H 0.24575 0.83777 0.41636 1.00000
H4 H 0.75425 0.16223 0.58364 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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