Nd3Te2Ir
Alexandria ALEXAlex-ID: agm005758359 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Nd5Ir3 Nd6Te5Ir NdIr2
2023-08-25 06:00:36.426799
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758359).
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 agm005758359
data_agm005758359
_cell_length_a 7.72830
_cell_length_b 7.72830
_cell_length_c 13.77612
_cell_angle_alpha 100.90410
_cell_angle_beta 100.90410
_cell_angle_gamma 109.00213
_cell_volume 735.52791
_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 0.16357 0.69223 0.81842 1.00000
Nd2 Nd 0.65485 0.12618 0.81842 1.00000
Nd3 Nd 0.08643 0.05777 0.68158 1.00000
Nd4 Nd 0.59515 0.62382 0.68158 1.00000
Nd5 Nd 0.03722 0.53722 0.50000 1.00000
Nd6 Nd 0.46278 0.96278 0.50000 1.00000
Nd7 Nd 0.37618 0.40485 0.31842 1.00000
Nd8 Nd 0.94223 0.91357 0.31842 1.00000
Nd9 Nd 0.87382 0.34515 0.18158 1.00000
Nd10 Nd 0.30777 0.83643 0.18158 1.00000
Nd11 Nd 0.21278 0.21278 1.00000 1.00000
Nd12 Nd 0.78722 0.78722 0.00000 1.00000
Te1 Te 0.99552 0.49552 0.99103 1.00000
Te2 Te 0.42153 0.42153 0.84306 1.00000
Te3 Te 0.82847 0.32847 0.65694 1.00000
Te4 Te 0.25448 0.25448 0.50897 1.00000
Te5 Te 0.74552 0.74552 0.49103 1.00000
Te6 Te 0.67153 0.17153 0.34306 1.00000
Te7 Te 0.57847 0.57847 0.15694 1.00000
Te8 Te 0.50448 0.00448 0.00897 1.00000
Ir1 Ir 0.91642 0.91642 0.83284 1.00000
Ir2 Ir 0.33358 0.83358 0.66716 1.00000
Ir3 Ir 0.16642 0.66642 0.33284 1.00000
Ir4 Ir 0.08358 0.08358 0.16716 1.00000
