La2(InCu)5
Alexandria ALEXAlex-ID: agm011871007 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_6_spg6
LaInCu5 LaIn3 Cu
2024-07-18 04:39:32.052484
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011871007).
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 agm011871007
data_agm011871007
_cell_length_a 4.41203
_cell_length_b 9.90563
_cell_length_c 17.25146
_cell_angle_alpha 90.27487
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 753.94778
_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 0.00000 0.00032 0.66454 1.00000
La2 La 0.00000 0.49947 0.16705 1.00000
La3 La 0.00000 0.50221 0.82983 1.00000
La4 La 0.00000 0.99997 0.33748 1.00000
La5 La 0.50000 0.99394 0.99567 1.00000
La6 La 0.50000 0.50618 0.50592 1.00000
In1 In 0.50000 0.99664 0.50241 1.00000
In2 In 0.50000 0.49728 0.00035 1.00000
In3 In 0.50000 0.74858 0.75326 1.00000
In4 In 0.50000 0.24687 0.25705 1.00000
In5 In 0.50000 0.25621 0.74220 1.00000
In6 In 0.50000 0.74719 0.24546 1.00000
In7 In 0.00000 0.13898 0.14322 1.00000
In8 In 0.00000 0.14104 0.85407 1.00000
In9 In 0.00000 0.64150 0.35990 1.00000
In10 In 0.00000 0.78325 0.50850 1.00000
In11 In 0.00000 0.28730 0.99884 1.00000
In12 In 0.00000 0.84788 0.86148 1.00000
In13 In 0.00000 0.35103 0.36949 1.00000
In14 In 0.00000 0.36607 0.63474 1.00000
In15 In 0.00000 0.84981 0.13278 1.00000
Cu1 Cu 0.50000 0.00457 0.80198 1.00000
Cu2 Cu 0.50000 0.50004 0.30972 1.00000
Cu3 Cu 0.50000 0.21975 0.58431 1.00000
Cu4 Cu 0.50000 0.71697 0.08298 1.00000
Cu5 Cu 0.50000 0.77462 0.60291 1.00000
Cu6 Cu 0.50000 0.28677 0.10004 1.00000
Cu7 Cu 0.50000 0.51368 0.68533 1.00000
Cu8 Cu 0.50000 0.99904 0.19158 1.00000
Cu9 Cu 0.50000 0.71174 0.91374 1.00000
Cu10 Cu 0.50000 0.21863 0.42032 1.00000
Cu11 Cu 0.50000 0.29002 0.89763 1.00000
Cu12 Cu 0.50000 0.79096 0.40121 1.00000
Cu13 Cu 0.00000 0.21667 0.50400 1.00000
Cu14 Cu 0.00000 0.71465 0.99775 1.00000
Cu15 Cu 0.00000 0.64041 0.64228 1.00000
