Nd8Ge5Te
Alexandria ALEXAlex-ID: agm006094530 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
Nd4Ge3 Nd3GeTe2 Nd
2023-08-11 03:15:20.162944
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006094530).
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
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# CIF generated by HEAS from Alexandria entry agm006094530
data_agm006094530
_cell_length_a 7.98642
_cell_length_b 7.98642
_cell_length_c 7.98642
_cell_angle_alpha 109.21735
_cell_angle_beta 109.98016
_cell_angle_gamma 109.21735
_cell_volume 392.11043
_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 0.11796 0.75636 0.01583 1.00000
Nd2 Nd 0.98417 0.10213 0.74052 1.00000
Nd3 Nd 0.74954 0.24678 0.37108 1.00000
Nd4 Nd 0.62892 0.37846 0.87570 1.00000
Nd5 Nd 0.49724 0.62154 0.25046 1.00000
Nd6 Nd 0.63840 0.89787 0.88204 1.00000
Nd7 Nd 0.25948 0.24364 0.36160 1.00000
Nd8 Nd 0.12430 0.75322 0.50276 1.00000
Ge1 Ge 0.00432 0.37740 0.12539 1.00000
Ge2 Ge 0.87461 0.87893 0.25201 1.00000
Ge3 Ge 0.74799 0.62260 0.62692 1.00000
Ge4 Ge 0.50000 0.00000 0.50000 1.00000
Ge5 Ge 0.37308 0.12107 0.99568 1.00000
Te1 Te 0.25000 0.50000 0.75000 1.00000
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