Np3Ge6Pt5
Alexandria ALEXAlex-ID: agm005698513 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C6_16_spg59
Ge3Pt2 NpGePt
2023-06-30 17:15:11.426750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698513).
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 agm005698513
data_agm005698513
_cell_length_a 4.38829
_cell_length_b 9.06017
_cell_length_c 13.16097
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 523.26225
_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 0.00000 0.25362 0.70226 1.00000
Np2 Np 0.50000 0.74638 0.20226 1.00000
Np3 Np 0.50000 0.74638 0.79774 1.00000
Np4 Np 0.00000 0.24340 0.00000 1.00000
Np5 Np 0.50000 0.75660 0.50000 1.00000
Np6 Np 0.00000 0.25362 0.29774 1.00000
Ge1 Ge 0.00000 0.97041 0.84369 1.00000
Ge2 Ge 0.50000 0.02959 0.65631 1.00000
Ge3 Ge 0.50000 0.39612 0.82619 1.00000
Ge4 Ge 0.50000 0.59268 0.00000 1.00000
Ge5 Ge 0.00000 0.40732 0.50000 1.00000
Ge6 Ge 0.00000 0.60388 0.67381 1.00000
Ge7 Ge 0.00000 0.60388 0.32619 1.00000
Ge8 Ge 0.50000 0.94771 0.00000 1.00000
Ge9 Ge 0.00000 0.97041 0.15631 1.00000
Ge10 Ge 0.50000 0.39612 0.17381 1.00000
Ge11 Ge 0.00000 0.05229 0.50000 1.00000
Ge12 Ge 0.50000 0.02959 0.34369 1.00000
Pt1 Pt 0.00000 0.52466 0.87825 1.00000
Pt2 Pt 0.00000 0.88201 0.65211 1.00000
Pt3 Pt 0.00000 0.79377 0.00000 1.00000
Pt4 Pt 0.50000 0.47534 0.62175 1.00000
Pt5 Pt 0.50000 0.20623 0.50000 1.00000
Pt6 Pt 0.00000 0.52466 0.12175 1.00000
Pt7 Pt 0.50000 0.47534 0.37825 1.00000
Pt8 Pt 0.00000 0.88201 0.34789 1.00000
Pt9 Pt 0.50000 0.11799 0.84789 1.00000
Pt10 Pt 0.50000 0.11799 0.15211 1.00000
