Nd4SbIr2
Alexandria ALEXAlex-ID: agm003459727 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_926_spg15
Nd5Ir3 NdSb NdIr2
2022-02-19 11:24:32.340601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003459727).
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 agm003459727
data_agm003459727
_cell_length_a 8.29604
_cell_length_b 8.29604
_cell_length_c 8.29625
_cell_angle_alpha 110.62043
_cell_angle_beta 110.42521
_cell_angle_gamma 107.38650
_cell_volume 439.11537
_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 0.90370 0.21789 0.31449 1.00000
Nd2 Nd 0.34653 0.53212 0.18574 1.00000
Nd3 Nd 0.90340 0.58921 0.68551 1.00000
Nd4 Nd 0.78211 0.09670 0.68551 1.00000
Nd5 Nd 0.41118 0.09659 0.31448 1.00000
Nd6 Nd 0.34638 0.16079 0.81426 1.00000
Nd7 Nd 0.46789 0.65348 0.81467 1.00000
Nd8 Nd 0.83881 0.65322 0.18534 1.00000
Sb1 Sb 0.24834 0.74834 0.50000 1.00000
Sb2 Sb 0.00166 0.00166 1.00000 1.00000
Ir1 Ir 0.62490 0.37500 0.74990 1.00000
Ir2 Ir 0.62510 0.87501 0.25010 1.00000
Ir3 Ir 0.62500 0.37486 0.24987 1.00000
Ir4 Ir 0.12500 0.37513 0.75013 1.00000
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