La5Ge2IrN
Alexandria ALEXAlex-ID: agm005149558 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
La3Ge2Ir La5Ir3 La4Ge3 LaN
2023-01-17 05:18:25.815475
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149558).
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 agm005149558
data_agm005149558
_cell_length_a 4.70725
_cell_length_b 9.29845
_cell_length_c 10.98219
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.66223
_cell_volume 465.03838
_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 0.36108 0.72217 0.00729 1.00000
La2 La 0.66554 0.33108 0.89611 1.00000
La3 La 0.47168 0.94335 0.73092 1.00000
La4 La 0.26383 0.52765 0.69976 1.00000
La5 La 0.97480 0.94959 0.47622 1.00000
La6 La 0.63892 0.27783 0.50729 1.00000
La7 La 0.33446 0.66892 0.39611 1.00000
La8 La 0.52832 0.05665 0.23092 1.00000
La9 La 0.73617 0.47235 0.19976 1.00000
La10 La 0.02520 0.05041 0.97622 1.00000
Ge1 Ge 0.85562 0.71125 0.80248 1.00000
Ge2 Ge 0.09181 0.18362 0.70096 1.00000
Ge3 Ge 0.14438 0.28875 0.30248 1.00000
Ge4 Ge 0.90819 0.81638 0.20096 1.00000
Ir1 Ir 0.81435 0.62870 0.56390 1.00000
Ir2 Ir 0.18565 0.37130 0.06390 1.00000
N1 N 0.49870 0.99741 0.94632 1.00000
N2 N 0.50130 0.00259 0.44632 1.00000
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