La(As3Ru)4
Alexandria ALEXAlex-ID: agm006010264 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_67_spg204
La(As3Ru)4
2023-08-07 15:47:45.760575
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010264).
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 agm006010264
data_agm006010264
_cell_length_a 7.45247
_cell_length_b 7.45246
_cell_length_c 7.45246
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47125
_cell_angle_gamma 109.47124
_cell_volume 318.62331
_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 0.00000 0.00000 1.00000
As1 As 0.84938 0.34973 0.19911 1.00000
As2 As 0.34973 0.50035 0.15062 1.00000
As3 As 0.80089 0.15062 0.65027 1.00000
As4 As 0.34973 0.19911 0.84938 1.00000
As5 As 0.19911 0.84938 0.34973 1.00000
As6 As 0.65027 0.49965 0.84938 1.00000
As7 As 0.50035 0.15062 0.34973 1.00000
As8 As 0.49965 0.84938 0.65027 1.00000
As9 As 0.65027 0.80089 0.15062 1.00000
As10 As 0.84938 0.65027 0.49965 1.00000
As11 As 0.15062 0.34973 0.50035 1.00000
As12 As 0.15062 0.65027 0.80089 1.00000
Ru1 Ru 0.00000 0.50000 0.00000 1.00000
Ru2 Ru 0.50000 0.00000 0.00000 1.00000
Ru3 Ru 0.50000 0.50000 0.50000 1.00000
Ru4 Ru 0.00000 0.00000 0.50000 1.00000
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