Pm2GaH7
Alexandria ALEXAlex-ID: agm006201192 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
GaH6 PmH3 Ga
2023-11-18 18:48:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201192).
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 agm006201192
data_agm006201192
_cell_length_a 5.12493
_cell_length_b 5.12538
_cell_length_c 6.97777
_cell_angle_alpha 111.50047
_cell_angle_beta 68.47208
_cell_angle_gamma 120.00963
_cell_volume 143.78345
_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
H1 H 0.10676 0.76486 0.13879 1.00000
H2 H 0.83969 0.94670 0.85482 1.00000
H3 H 0.38255 0.48950 0.85477 1.00000
H4 H 0.10679 0.22209 0.13888 1.00000
H5 H 0.47302 0.85541 0.49682 1.00000
H6 H 0.56409 0.22219 0.13885 1.00000
H7 H 0.83970 0.48947 0.85475 1.00000
Ga1 Ga 0.97326 0.35572 0.99684 1.00000
Pm1 Pm 0.35857 0.97063 0.84114 1.00000
Pm2 Pm 0.58796 0.74081 0.15250 1.00000
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