NpCoSnH
Alexandria ALEXAlex-ID: agm007606079 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_30_spg62
CoSn NpSn3 NpCo NpH3
2024-12-10 23:16:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007606079).
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 agm007606079
data_agm007606079
_cell_length_a 4.27830
_cell_length_b 6.92621
_cell_length_c 8.25816
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 244.70946
_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 0.75000 0.51455 0.31056 1.00000
Np2 Np 0.25000 0.48545 0.68944 1.00000
Np3 Np 0.25000 0.98545 0.81056 1.00000
Np4 Np 0.75000 0.01455 0.18944 1.00000
Co1 Co 0.75000 0.27007 0.89061 1.00000
Co2 Co 0.25000 0.72993 0.10939 1.00000
Co3 Co 0.25000 0.22993 0.39061 1.00000
Co4 Co 0.75000 0.77007 0.60939 1.00000
Sn1 Sn 0.75000 0.15953 0.56956 1.00000
Sn2 Sn 0.25000 0.84047 0.43044 1.00000
Sn3 Sn 0.25000 0.34047 0.06956 1.00000
Sn4 Sn 0.75000 0.65953 0.93044 1.00000
H1 H 0.25000 0.96071 0.08159 1.00000
H2 H 0.75000 0.03929 0.91841 1.00000
H3 H 0.75000 0.53929 0.58159 1.00000
H4 H 0.25000 0.46071 0.41841 1.00000
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