NpTcGe3
Alexandria ALEXAlex-ID: agm003715696 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5829_spg15
TcGe2 Np2Tc3Ge4 NpGe3
2022-04-15 23:38:23.874125
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003715696).
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 agm003715696
data_agm003715696
_cell_length_a 4.96258
_cell_length_b 8.64914
_cell_length_c 8.64914
_cell_angle_alpha 95.09137
_cell_angle_beta 83.01901
_cell_angle_gamma 83.01901
_cell_volume 363.73062
_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 0.45965 0.55458 0.63555 1.00000
Np2 Np 0.04035 0.36445 0.44542 1.00000
Np3 Np 0.54035 0.44542 0.36445 1.00000
Np4 Np 0.95965 0.63555 0.55458 1.00000
Tc1 Tc 0.75000 0.95023 0.04977 1.00000
Tc2 Tc 0.25000 0.04977 0.95023 1.00000
Tc3 Tc 0.75000 0.17836 0.82164 1.00000
Tc4 Tc 0.25000 0.82164 0.17836 1.00000
Ge1 Ge 0.15580 0.77045 0.89065 1.00000
Ge2 Ge 0.34420 0.10935 0.22955 1.00000
Ge3 Ge 0.84420 0.22955 0.10935 1.00000
Ge4 Ge 0.65580 0.89065 0.77045 1.00000
Ge5 Ge 0.32280 0.34487 0.95206 1.00000
Ge6 Ge 0.17720 0.04794 0.65513 1.00000
Ge7 Ge 0.67720 0.65513 0.04794 1.00000
Ge8 Ge 0.82280 0.95206 0.34487 1.00000
Ge9 Ge 0.92094 0.44658 0.80652 1.00000
Ge10 Ge 0.57906 0.19348 0.55342 1.00000
Ge11 Ge 0.07906 0.55342 0.19348 1.00000
Ge12 Ge 0.42094 0.80652 0.44658 1.00000
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