Nd8CoH4
Alexandria ALEXAlex-ID: agm097366262 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1664_spg8
Nd3Co Nd NdH2
2025-06-15 14:40:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097366262).
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 agm097366262
data_agm097366262
_cell_length_a 3.63429
_cell_length_b 9.53407
_cell_length_c 9.65039
_cell_angle_alpha 62.46684
_cell_angle_beta 90.00494
_cell_angle_gamma 90.02129
_cell_volume 296.51079
_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 0.76906 0.02406 0.22454 1.00000
Nd2 Nd 0.76905 0.77290 0.00268 1.00000
Nd3 Nd 0.76916 0.66755 0.65751 1.00000
Nd4 Nd 0.76894 0.25131 0.72123 1.00000
Nd5 Nd 0.26849 0.63627 0.37632 1.00000
Nd6 Nd 0.27026 0.33280 0.31679 1.00000
Nd7 Nd 0.26927 0.40223 0.95791 1.00000
Nd8 Nd 0.26916 0.98441 0.61641 1.00000
Co1 Co 0.26910 0.02741 0.97137 1.00000
H1 H 0.76903 0.03168 0.97368 1.00000
H2 H 0.76997 0.30239 0.16095 1.00000
H3 H 0.26940 0.47857 0.67656 1.00000
H4 H 0.26911 0.08841 0.34404 1.00000
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