NpIn(H4Pd)2
Alexandria ALEXAlex-ID: agm007404972 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_351_spg12
InHPd3 InPd NpH3 H2
2024-02-09 08:38:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007404972).
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 agm007404972
data_agm007404972
_cell_length_a 4.41874
_cell_length_b 4.22360
_cell_length_c 7.62573
_cell_angle_alpha 93.73072
_cell_angle_beta 124.50343
_cell_angle_gamma 90.36833
_cell_volume 116.87330
_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
Np1 Np 0.54389 0.44761 0.54220 1.00000
In1 In 0.00552 0.84517 0.00742 1.00000
H1 H 0.01565 0.20786 0.25730 1.00000
H2 H 0.60399 0.37090 0.86143 1.00000
H3 H 0.80037 0.93599 0.56866 1.00000
H4 H 0.36249 0.93439 0.58154 1.00000
H5 H 0.50225 0.21049 0.25399 1.00000
H6 H 0.10703 0.36177 0.86154 1.00000
H7 H 0.99954 0.59373 0.26016 1.00000
H8 H 0.50784 0.59068 0.25015 1.00000
Pd1 Pd 0.25509 0.09116 0.75728 1.00000
Pd2 Pd 0.79629 0.91025 0.29830 1.00000
Get direct link