U2Mn4P3
Alexandria ALEXAlex-ID: agm017265011 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_66_spg189
U4Mn7P6 Mn
2025-01-01 03:38:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017265011).
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 agm017265011
data_agm017265011
_cell_length_a 12.57140
_cell_length_b 12.57140
_cell_length_c 3.79439
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 519.32519
_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 0.82911 0.82911 0.00000 1.00000
U2 U 0.00000 0.17089 0.00000 1.00000
U3 U 0.17089 0.00000 0.00000 1.00000
U4 U 0.33333 0.66667 0.50000 1.00000
U5 U 0.66667 0.33333 0.50000 1.00000
U6 U 0.43914 0.43914 0.50000 1.00000
U7 U 0.00000 0.56086 0.50000 1.00000
U8 U 0.56086 0.00000 0.50000 1.00000
Mn1 Mn 0.28470 0.28470 0.00000 1.00000
Mn2 Mn 0.00000 0.71530 0.00000 1.00000
Mn3 Mn 0.71530 0.00000 0.00000 1.00000
Mn4 Mn 0.62136 0.81702 0.50000 1.00000
Mn5 Mn 0.19566 0.37864 0.50000 1.00000
Mn6 Mn 0.18298 0.80434 0.50000 1.00000
Mn7 Mn 0.37864 0.19566 0.50000 1.00000
Mn8 Mn 0.80434 0.18298 0.50000 1.00000
Mn9 Mn 0.81702 0.62136 0.50000 1.00000
Mn10 Mn 0.52428 0.64291 0.00000 1.00000
Mn11 Mn 0.11863 0.47572 0.00000 1.00000
Mn12 Mn 0.35709 0.88137 0.00000 1.00000
Mn13 Mn 0.47572 0.11863 0.00000 1.00000
Mn14 Mn 0.88137 0.35709 0.00000 1.00000
Mn15 Mn 0.64291 0.52428 0.00000 1.00000
Mn16 Mn 0.00000 0.00000 0.50000 1.00000
P1 P 0.18417 0.18417 0.50000 1.00000
P2 P 0.00000 0.81583 0.50000 1.00000
P3 P 0.81583 0.00000 0.50000 1.00000
P4 P 0.51668 0.82203 0.00000 1.00000
P5 P 0.30534 0.48332 0.00000 1.00000
P6 P 0.17797 0.69466 0.00000 1.00000
P7 P 0.48332 0.30534 0.00000 1.00000
P8 P 0.69466 0.17797 0.00000 1.00000
P9 P 0.82203 0.51668 0.00000 1.00000
P10 P 0.66051 0.66051 0.50000 1.00000
P11 P 0.00000 0.33949 0.50000 1.00000
P12 P 0.33949 0.00000 0.50000 1.00000
