Nd2P2H5
Alexandria ALEXAlex-ID: agm007049532 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_339_spg12
Nd2PH3 PH4 NdP
2024-03-24 14:37:24.048830
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007049532).
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 agm007049532
data_agm007049532
_cell_length_a 3.99386
_cell_length_b 3.99391
_cell_length_c 7.41588
_cell_angle_alpha 88.96058
_cell_angle_beta 88.96040
_cell_angle_gamma 90.08780
_cell_volume 118.25235
_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 0.29646 0.74092 0.78377 1.00000
Nd2 Nd 0.81159 0.25606 0.40886 1.00000
P1 P 0.27379 0.71820 0.20163 1.00000
P2 P 0.79263 0.23708 0.89157 1.00000
H1 H 0.80078 0.74526 0.58190 1.00000
H2 H 0.28962 0.09303 0.23135 1.00000
H3 H 0.64864 0.73405 0.23132 1.00000
H4 H 0.30079 0.24524 0.58190 1.00000
H5 H 0.78570 0.23016 0.08771 1.00000
Get direct link