LaNd3Ir2
Alexandria ALEXAlex-ID: agm005692370 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_914_spg12
Nd7Ir3 La2Ir Nd5Ir3
2023-09-03 01:32:02.204508
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692370).
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 agm005692370
data_agm005692370
_cell_length_a 8.73667
_cell_length_b 8.73667
_cell_length_c 11.62950
_cell_angle_alpha 61.48747
_cell_angle_beta 61.48747
_cell_angle_gamma 28.78637
_cell_volume 371.94210
_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
La1 La 0.57138 0.57138 0.32181 1.00000
La2 La 0.42862 0.42862 0.67819 1.00000
Nd1 Nd 0.94081 0.94081 0.20994 1.00000
Nd2 Nd 0.05919 0.05919 0.79006 1.00000
Nd3 Nd 0.32266 0.32266 0.04535 1.00000
Nd4 Nd 0.67734 0.67734 0.95465 1.00000
Nd5 Nd 0.20604 0.20604 0.41733 1.00000
Nd6 Nd 0.79396 0.79396 0.58267 1.00000
Ir1 Ir 0.12975 0.12975 0.14026 1.00000
Ir2 Ir 0.87025 0.87025 0.85974 1.00000
Ir3 Ir 0.38062 0.38062 0.40090 1.00000
Ir4 Ir 0.61938 0.61938 0.59910 1.00000
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