Nd6CuTe5
Alexandria ALEXAlex-ID: agm006123778 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
NdCu NdTe
2023-08-26 02:04:59.576999
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123778).
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 agm006123778
data_agm006123778
_cell_length_a 7.72279
_cell_length_b 7.72279
_cell_length_c 7.72183
_cell_angle_alpha 99.67806
_cell_angle_beta 99.67805
_cell_angle_gamma 119.80260
_cell_volume 376.50815
_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
Te1 Te 0.82277 0.17723 0.50000 1.00000
Te2 Te 0.66404 0.33596 1.00000 1.00000
Te3 Te 0.50000 0.50000 0.50000 1.00000
Te4 Te 0.33596 0.66404 0.00000 1.00000
Te5 Te 0.17723 0.82277 0.50000 1.00000
Nd1 Nd 0.38903 0.07660 0.23368 1.00000
Nd2 Nd 0.92340 0.61097 0.76632 1.00000
Nd3 Nd 0.23087 0.23087 0.75643 1.00000
Nd4 Nd 0.76913 0.76913 0.24357 1.00000
Nd5 Nd 0.07660 0.38903 0.23368 1.00000
Nd6 Nd 0.61097 0.92340 0.76632 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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