NdAs2H7
Alexandria ALEXAlex-ID: agm006201992 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_267_spg139
AsH9 AsH NdAs
2024-02-01 06:12:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201992).
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 agm006201992
data_agm006201992
_cell_length_a 5.36023
_cell_length_b 5.54892
_cell_length_c 5.79097
_cell_angle_alpha 61.37715
_cell_angle_beta 44.19068
_cell_angle_gamma 58.83233
_cell_volume 101.03528
_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
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.10451 0.75416 0.38718 1.00000
H3 H 0.76419 0.28186 0.35435 1.00000
H4 H 0.23581 0.71814 0.64565 1.00000
H5 H 0.76419 0.59960 0.35435 1.00000
H6 H 0.23581 0.40040 0.64565 1.00000
H7 H 0.89549 0.24584 0.61282 1.00000
As1 As 0.80336 0.70418 0.78828 1.00000
As2 As 0.19664 0.29582 0.21172 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Get direct link