Nd6CdTc2
Alexandria ALEXAlex-ID: agm005698970 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Nd4CdTc Nd Tc
2023-07-09 18:48:54.302508
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698970).
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 agm005698970
data_agm005698970
_cell_length_a 8.81320
_cell_length_b 8.81320
_cell_length_c 8.81320
_cell_angle_alpha 106.46253
_cell_angle_beta 110.44871
_cell_angle_gamma 111.54569
_cell_volume 525.82778
_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 0.52326 0.71353 0.80972 1.00000
Nd2 Nd 0.47674 0.28647 0.19028 1.00000
Nd3 Nd 0.09619 0.28647 0.80972 1.00000
Nd4 Nd 0.90381 0.71353 0.19028 1.00000
Nd5 Nd 0.78519 0.77379 0.55898 1.00000
Nd6 Nd 0.21481 0.22621 0.44102 1.00000
Nd7 Nd 0.21481 0.77379 0.98860 1.00000
Nd8 Nd 0.78519 0.22621 0.01140 1.00000
Nd9 Nd 0.71006 0.39673 0.68667 1.00000
Nd10 Nd 0.28994 0.60327 0.31333 1.00000
Nd11 Nd 0.28994 0.97661 0.68667 1.00000
Nd12 Nd 0.71006 0.02339 0.31333 1.00000
Cd1 Cd 0.00000 0.50000 0.50000 1.00000
Cd2 Cd 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 0.50000 0.38790 0.88790 1.00000
Tc2 Tc 0.50000 0.61210 0.11210 1.00000
Tc3 Tc 0.61909 0.00000 0.61909 1.00000
Tc4 Tc 0.38091 1.00000 0.38091 1.00000
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