Nd4H8O
Alexandria ALEXAlex-ID: agm097993294 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1577_spg8
Nd4H9 NdHO NdH3
2025-06-16 01:43:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097993294).
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 agm097993294
data_agm097993294
_cell_length_a 3.85901
_cell_length_b 7.77432
_cell_length_c 6.78998
_cell_angle_alpha 124.92391
_cell_angle_beta 90.00455
_cell_angle_gamma 89.99127
_cell_volume 167.02258
_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 0.73077 0.94959 0.97622 1.00000
Nd2 Nd 0.73080 0.44447 0.96584 1.00000
Nd3 Nd 0.23068 0.44348 0.45389 1.00000
Nd4 Nd 0.23089 0.93335 0.45396 1.00000
H1 H 0.73087 0.81145 0.20070 1.00000
H2 H 0.73065 0.31235 0.20058 1.00000
H3 H 0.73064 0.55807 0.71080 1.00000
H4 H 0.73076 0.68495 0.44683 1.00000
H5 H 0.23082 0.32069 0.71825 1.00000
H6 H 0.23080 0.55802 0.19306 1.00000
H7 H 0.23071 0.82716 0.73123 1.00000
H8 H 0.73088 0.07578 0.71080 1.00000
O1 O 0.23071 0.08064 0.23785 1.00000
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