Np3As2H
Alexandria ALEXAlex-ID: agm005882986 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1350_spg71
Np2AsH3 NpAs Np
2023-07-10 02:50:20.713968
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882986).
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 agm005882986
data_agm005882986
_cell_length_a 4.39598
_cell_length_b 7.88532
_cell_length_c 9.84236
_cell_angle_alpha 126.92366
_cell_angle_beta 102.90407
_cell_angle_gamma 90.00001
_cell_volume 261.88816
_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 0.50165 0.75000 0.00000 1.00000
Np2 Np 0.49835 0.25000 1.00000 1.00000
Np3 Np 0.84022 0.01090 0.68113 1.00000
Np4 Np 0.15909 0.48910 0.31887 1.00000
Np5 Np 0.84091 0.51090 0.68113 1.00000
Np6 Np 0.15978 0.98910 0.31887 1.00000
As1 As 0.35239 0.27858 0.70474 1.00000
As2 As 0.35235 0.77858 0.70474 1.00000
As3 As 0.64765 0.22142 0.29526 1.00000
As4 As 0.64761 0.72142 0.29526 1.00000
H1 H 0.99836 0.25000 1.00000 1.00000
H2 H 0.00164 0.75000 0.00000 1.00000
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