Np4CoH2
Alexandria ALEXAlex-ID: agm096775151 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_796_spg10
NpCo Np NpH3
2025-04-10 19:48:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096775151).
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 agm096775151
data_agm096775151
_cell_length_a 3.57426
_cell_length_b 3.46333
_cell_length_c 7.75021
_cell_angle_alpha 90.01529
_cell_angle_beta 88.27324
_cell_angle_gamma 90.00243
_cell_volume 95.89484
_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 0.72911 0.49999 0.79327 1.00000
Np2 Np 0.85514 0.00014 0.37161 1.00000
Np3 Np 0.43002 0.99988 0.62826 1.00000
Np4 Np 0.55749 0.50002 0.20596 1.00000
Co1 Co 0.14395 0.99997 0.99985 1.00000
H1 H 0.64429 1.00000 0.99970 1.00000
H2 H 0.14000 0.50001 0.50134 1.00000
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