Nd2Ga2H5
Alexandria ALEXAlex-ID: agm007094328 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_495_spg2
NdGa6 NdH3
2024-01-27 17:02:58.556985
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007094328).
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 agm007094328
data_agm007094328
_cell_length_a 7.51070
_cell_length_b 7.51070
_cell_length_c 4.25384
_cell_angle_alpha 78.79281
_cell_angle_beta 78.79281
_cell_angle_gamma 32.47080
_cell_volume 126.16086
_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
Nd1 Nd 0.39199 0.39199 0.86973 1.00000
Nd2 Nd 0.60801 0.60801 0.13027 1.00000
Ga1 Ga 0.20438 0.20438 0.58868 1.00000
Ga2 Ga 0.79562 0.79562 0.41132 1.00000
H1 H 0.45122 0.45122 0.31511 1.00000
H2 H 0.54878 0.54878 0.68489 1.00000
H3 H 0.13219 0.13219 0.32961 1.00000
H4 H 0.86781 0.86781 0.67039 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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