U5Mn16(NbAs4)3
Alexandria ALEXAlex-ID: agm017138819 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C12D16_0_spg189
UMn5As3 U4Mn7As6 Mn NbAs
2024-12-22 13:00:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017138819).
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 agm017138819
data_agm017138819
_cell_length_a 13.26903
_cell_length_b 3.66336
_cell_length_c 13.15368
_cell_angle_alpha 90.00000
_cell_angle_beta 119.64115
_cell_angle_gamma 90.00000
_cell_volume 555.71988
_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
U1 U 0.82575 0.50000 0.82364 1.00000
U2 U 0.99926 0.50000 0.17064 1.00000
U3 U 0.17360 0.50000 0.00005 1.00000
U4 U 0.33522 0.00000 0.67036 1.00000
U5 U 0.66578 0.00000 0.33841 1.00000
Mn1 Mn 0.28817 0.50000 0.28945 1.00000
Mn2 Mn 0.00133 0.50000 0.71228 1.00000
Mn3 Mn 0.71142 0.50000 0.00234 1.00000
Mn4 Mn 0.63088 0.00000 0.82763 1.00000
Mn5 Mn 0.19749 0.00000 0.37161 1.00000
Mn6 Mn 0.17314 0.00000 0.80262 1.00000
Mn7 Mn 0.36788 0.00000 0.19282 1.00000
Mn8 Mn 0.80321 0.00000 0.17552 1.00000
Mn9 Mn 0.83015 0.00000 0.63424 1.00000
Mn10 Mn 0.52569 0.50000 0.65324 1.00000
Mn11 Mn 0.13004 0.50000 0.47408 1.00000
Mn12 Mn 0.34432 0.50000 0.86726 1.00000
Mn13 Mn 0.46763 0.50000 0.12236 1.00000
Mn14 Mn 0.87681 0.50000 0.34509 1.00000
Mn15 Mn 0.65299 0.50000 0.52112 1.00000
Mn16 Mn 0.00039 0.00000 0.00271 1.00000
Nb1 Nb 0.44980 0.00000 0.45222 1.00000
Nb2 Nb 0.00078 0.00000 0.54733 1.00000
Nb3 Nb 0.54860 0.00000 0.00311 1.00000
As1 As 0.17755 0.00000 0.17758 1.00000
As2 As 0.00147 0.00000 0.82531 1.00000
As3 As 0.82247 0.00000 0.99971 1.00000
As4 As 0.51370 0.50000 0.83679 1.00000
As5 As 0.32311 0.50000 0.48972 1.00000
As6 As 0.16429 0.50000 0.67588 1.00000
As7 As 0.48524 0.50000 0.31951 1.00000
As8 As 0.67611 0.50000 0.17075 1.00000
As9 As 0.83655 0.50000 0.51149 1.00000
As10 As 0.65185 0.00000 0.65064 1.00000
As11 As 0.00212 0.00000 0.34665 1.00000
As12 As 0.34522 0.00000 0.99581 1.00000
