Nd2H5C2
Alexandria ALEXAlex-ID: agm007338969 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1601_spg1
Nd4H9 H4C C
2024-02-09 12:49:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007338969).
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 agm007338969
data_agm007338969
_cell_length_a 3.73232
_cell_length_b 4.05846
_cell_length_c 8.60832
_cell_angle_alpha 89.83724
_cell_angle_beta 90.80982
_cell_angle_gamma 62.66117
_cell_volume 115.81212
_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 0.22276 0.96612 0.99246 1.00000
Nd2 Nd 0.61996 0.20080 0.40970 1.00000
H1 H 0.12499 0.70107 0.22833 1.00000
H2 H 0.71486 0.37593 0.71341 1.00000
H3 H 0.89286 0.87993 0.68678 1.00000
H4 H 0.60238 0.70029 0.22950 1.00000
H5 H 0.36257 0.18965 0.70923 1.00000
C1 C 0.28864 0.85356 0.28279 1.00000
C2 C 0.67098 0.13264 0.74781 1.00000
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