Nd4GaTc
Alexandria ALEXAlex-ID: agm005807530 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1160_spg15
Nd5Ga3 Nd Tc
2023-07-28 10:27:32.932640
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807530).
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 agm005807530
data_agm005807530
_cell_length_a 6.38772
_cell_length_b 8.15474
_cell_length_c 8.15475
_cell_angle_alpha 112.28720
_cell_angle_beta 105.24538
_cell_angle_gamma 105.24528
_cell_volume 346.51317
_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
Nd1 Nd 0.81580 0.64048 0.78099 1.00000
Nd2 Nd 0.07888 0.94273 0.29304 1.00000
Nd3 Nd 0.68420 0.21901 0.35952 1.00000
Nd4 Nd 0.42112 0.70696 0.05727 1.00000
Nd5 Nd 0.57888 0.29304 0.94273 1.00000
Nd6 Nd 0.31580 0.78099 0.64048 1.00000
Nd7 Nd 0.92112 0.05727 0.70696 1.00000
Nd8 Nd 0.18420 0.35952 0.21901 1.00000
Ga1 Ga 0.75000 0.62590 0.37410 1.00000
Ga2 Ga 0.25000 0.37410 0.62590 1.00000
Tc1 Tc 0.25000 0.00132 0.99868 1.00000
Tc2 Tc 0.75000 0.99868 0.00132 1.00000
Get direct link