Np2CoSbPt6
Alexandria ALEXAlex-ID: agm013220768 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_242_spg2
NpPt2 Sb2Pt NpPt3 Co
2024-06-24 11:20:30.845219
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013220768).
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 agm013220768
data_agm013220768
_cell_length_a 6.58536
_cell_length_b 6.58536
_cell_length_c 7.70859
_cell_angle_alpha 53.61375
_cell_angle_beta 53.61375
_cell_angle_gamma 48.03302
_cell_volume 189.00680
_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 0.50429 0.50429 0.22451 1.00000
Np2 Np 0.49571 0.49571 0.77549 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.18286 0.18286 0.05657 1.00000
Pt2 Pt 0.48552 0.99232 0.69382 1.00000
Pt3 Pt 0.99232 0.48552 0.69382 1.00000
Pt4 Pt 0.00768 0.51448 0.30618 1.00000
Pt5 Pt 0.51448 0.00768 0.30618 1.00000
Pt6 Pt 0.81714 0.81714 0.94343 1.00000
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