Li11MnAs6
Alexandria ALEXAlex-ID: agm006220002 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C11_19_spg43
Li3As MnAs Li2As
2024-01-29 06:27:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006220002).
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 agm006220002
data_agm006220002
_cell_length_a 14.14850
_cell_length_b 13.49873
_cell_length_c 7.35471
_cell_angle_alpha 79.51671
_cell_angle_beta 69.74312
_cell_angle_gamma 30.74017
_cell_volume 653.69732
_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
As1 As 0.51293 0.49011 0.95902 1.00000
As2 As 0.95902 0.03793 0.51293 1.00000
As3 As 0.09201 0.07802 0.91590 1.00000
As4 As 0.17198 0.15798 0.33593 1.00000
As5 As 0.58194 0.56539 0.43769 1.00000
As6 As 0.21207 0.29098 0.75989 1.00000
As7 As 0.33593 0.33410 0.17198 1.00000
As8 As 0.68461 0.66806 0.83502 1.00000
As9 As 0.75989 0.73707 0.21207 1.00000
As10 As 0.43769 0.41498 0.58194 1.00000
As11 As 0.83502 0.81231 0.68461 1.00000
As12 As 0.91590 0.91407 0.09201 1.00000
Mn1 Mn 0.87453 0.62547 0.87453 1.00000
Mn2 Mn 0.62453 0.37547 0.62453 1.00000
Li1 Li 0.72407 0.44466 0.03320 1.00000
Li2 Li 0.19829 0.96523 0.54953 1.00000
Li3 Li 0.96566 0.20313 0.28836 1.00000
Li4 Li 0.28477 0.05171 0.96305 1.00000
Li5 Li 0.04687 0.28434 0.70715 1.00000
Li6 Li 0.36583 0.13417 0.36583 1.00000
Li7 Li 0.46164 0.71426 0.79334 1.00000
Li8 Li 0.13406 0.36594 0.13406 1.00000
Li9 Li 0.80534 0.52593 0.45194 1.00000
Li10 Li 0.45194 0.21680 0.80534 1.00000
Li11 Li 0.53574 0.78836 0.21924 1.00000
Li12 Li 0.21924 0.45666 0.53574 1.00000
Li13 Li 0.54953 0.28695 0.19829 1.00000
Li14 Li 0.61199 0.88801 0.61199 1.00000
Li15 Li 0.96305 0.70047 0.28477 1.00000
Li16 Li 0.70715 0.96164 0.04687 1.00000
Li17 Li 0.03320 0.79806 0.72407 1.00000
Li18 Li 0.79334 0.03076 0.46164 1.00000
Li19 Li 0.11583 0.88417 0.11583 1.00000
Li20 Li 0.88406 0.11594 0.88406 1.00000
Li21 Li 0.28836 0.54285 0.96566 1.00000
Li22 Li 0.36199 0.63801 0.36199 1.00000
