Nd2Al2Si2H
Alexandria ALEXAlex-ID: agm006720175 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_13_spg12
NdAlSi NdSiH Al
2024-02-25 05:53:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006720175).
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 agm006720175
data_agm006720175
_cell_length_a 5.98111
_cell_length_b 5.98111
_cell_length_c 7.06576
_cell_angle_alpha 55.77607
_cell_angle_beta 55.77607
_cell_angle_gamma 39.67320
_cell_volume 129.34813
_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 0.56928 0.56928 0.69062 1.00000
Nd2 Nd 0.43072 0.43072 0.30938 1.00000
Al1 Al 0.20627 0.20627 0.89637 1.00000
Al2 Al 0.79373 0.79373 0.10363 1.00000
Si1 Si 0.13733 0.13733 0.32313 1.00000
Si2 Si 0.86267 0.86267 0.67687 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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