NdGa2NiH8
Alexandria ALEXAlex-ID: agm007226397 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1233_spg12
GaH9 NdH3 Nd(NiH3)2 Ga3Ni2
2024-01-28 17:24:03.841423
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007226397).
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 agm007226397
data_agm007226397
_cell_length_a 6.07676
_cell_length_b 4.36811
_cell_length_c 4.80147
_cell_angle_alpha 89.82824
_cell_angle_beta 104.53205
_cell_angle_gamma 68.96037
_cell_volume 114.53488
_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 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.42955 0.78617 0.34779 1.00000
Ga2 Ga 0.57045 0.21383 0.65221 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
H1 H 0.38691 0.30639 0.86032 1.00000
H2 H 0.18433 0.64129 0.13659 1.00000
H3 H 0.81738 0.82291 0.86648 1.00000
H4 H 0.61309 0.69361 0.13968 1.00000
H5 H 0.81567 0.35871 0.86341 1.00000
H6 H 0.18262 0.17709 0.13352 1.00000
H7 H 0.88002 0.06051 0.26604 1.00000
H8 H 0.11998 0.93949 0.73396 1.00000
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