Er2Ga2H7
Alexandria ALEXAlex-ID: agm006337113 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_334_spg12
GaH6 ErH3 Ga
2024-10-14 13:29:15.634476
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006337113).
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 agm006337113
data_agm006337113
_cell_length_a 3.70884
_cell_length_b 6.13420
_cell_length_c 5.95238
_cell_angle_alpha 111.31392
_cell_angle_beta 105.96965
_cell_angle_gamma 103.02287
_cell_volume 113.00513
_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
Er1 Er 0.52213 0.32863 0.70735 1.00000
Er2 Er 0.47787 0.67137 0.29265 1.00000
Ga1 Ga 0.79684 0.20965 0.17760 1.00000
Ga2 Ga 0.20316 0.79035 0.82240 1.00000
H1 H 0.80323 0.11204 0.44565 1.00000
H2 H 0.13170 0.34683 0.91846 1.00000
H3 H 0.19677 0.88796 0.55435 1.00000
H4 H 0.86830 0.65317 0.08154 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
H6 H 0.34842 0.32961 0.33195 1.00000
H7 H 0.65158 0.67039 0.66805 1.00000
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