UMnH5
Alexandria ALEXAlex-ID: agm007354995 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_618_spg63
UMnH5
2024-02-09 13:47:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007354995).
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 agm007354995
data_agm007354995
_cell_length_a 4.39753
_cell_length_b 4.23754
_cell_length_c 5.87465
_cell_angle_alpha 109.90981
_cell_angle_beta 89.98330
_cell_angle_gamma 90.04839
_cell_volume 102.92904
_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 0.74998 0.38463 0.70597 1.00000
U2 U 0.25002 0.61537 0.29403 1.00000
Mn1 Mn 0.74991 0.12292 0.16872 1.00000
Mn2 Mn 0.25009 0.87708 0.83128 1.00000
H1 H 0.51233 0.77139 0.01249 1.00000
H2 H 0.48093 0.12911 0.36544 1.00000
H3 H 0.24993 0.47872 0.66320 1.00000
H4 H 0.01859 0.12870 0.36543 1.00000
H5 H 0.98772 0.77169 0.01279 1.00000
H6 H 0.01228 0.22831 0.98721 1.00000
H7 H 0.98141 0.87130 0.63457 1.00000
H8 H 0.75007 0.52128 0.33680 1.00000
H9 H 0.51907 0.87089 0.63456 1.00000
H10 H 0.48767 0.22861 0.98751 1.00000
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