Gd(Ga3H4)2
Alexandria ALEXAlex-ID: agm091591935 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_2169_spg2
GaH6 GdH3 Ga
2025-05-27 08:23:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091591935).
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 agm091591935
data_agm091591935
_cell_length_a 5.71250
_cell_length_b 6.63944
_cell_length_c 6.55365
_cell_angle_alpha 66.12298
_cell_angle_beta 60.25867
_cell_angle_gamma 72.09376
_cell_volume 195.56311
_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
Gd1 Gd 0.49491 0.50173 0.50493 1.00000
Ga1 Ga 0.70314 0.34199 0.95993 1.00000
Ga2 Ga 0.30037 0.65671 0.03725 1.00000
Ga3 Ga 0.34970 0.04757 0.80347 1.00000
Ga4 Ga 0.65298 0.95116 0.19480 1.00000
Ga5 Ga 0.87097 0.69587 0.92128 1.00000
Ga6 Ga 0.12832 0.30126 0.08067 1.00000
H1 H 0.71519 0.79390 0.43657 1.00000
H2 H 0.28377 0.20751 0.56430 1.00000
H3 H 0.93631 0.24879 0.37154 1.00000
H4 H 0.06305 0.75163 0.62903 1.00000
H5 H 0.19235 0.60125 0.33256 1.00000
H6 H 0.80902 0.39822 0.66438 1.00000
H7 H 0.35033 0.87082 0.33085 1.00000
H8 H 0.64960 0.13159 0.66842 1.00000
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