Nd(CrH4)2
Alexandria ALEXAlex-ID: agm006420596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_2492_spg12
CrH NdH3 H2
2024-02-29 15:27:56.929230
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006420596).
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 agm006420596
data_agm006420596
_cell_length_a 5.01842
_cell_length_b 5.01842
_cell_length_c 3.61785
_cell_angle_alpha 88.20917
_cell_angle_beta 88.20917
_cell_angle_gamma 115.06544
_cell_volume 82.39309
_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 0.00000 0.00000 1.00000
Cr1 Cr 0.32687 0.67313 0.50000 1.00000
Cr2 Cr 0.67313 0.32687 0.50000 1.00000
H1 H 0.03039 0.32335 0.48227 1.00000
H2 H 0.32335 0.03039 0.48227 1.00000
H3 H 0.43318 0.43318 0.74818 1.00000
H4 H 0.71619 0.28381 0.00000 1.00000
H5 H 0.28381 0.71619 0.00000 1.00000
H6 H 0.56682 0.56682 0.25182 1.00000
H7 H 0.67665 0.96961 0.51773 1.00000
H8 H 0.96961 0.67665 0.51773 1.00000
Get direct link