U(MnH2)4
Alexandria ALEXAlex-ID: agm097364510 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_360_spg1
MnH2 UMnH5 Mn4H3
2025-06-16 01:29:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097364510).
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 agm097364510
data_agm097364510
_cell_length_a 4.79665
_cell_length_b 4.95537
_cell_length_c 5.11323
_cell_angle_alpha 119.95754
_cell_angle_beta 97.32702
_cell_angle_gamma 86.52389
_cell_volume 104.43881
_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 0.54677 0.06177 0.04319 1.00000
Mn1 Mn 0.10367 0.02032 0.03512 1.00000
Mn2 Mn 0.97199 0.51354 0.52038 1.00000
Mn3 Mn 0.91802 0.52308 0.02143 1.00000
Mn4 Mn 0.05304 0.02695 0.53675 1.00000
H1 H 0.22740 0.24281 0.42205 1.00000
H2 H 0.18032 0.61926 0.86901 1.00000
H3 H 0.58211 0.56989 0.98573 1.00000
H4 H 0.77152 0.31508 0.62358 1.00000
H5 H 0.17305 0.63671 0.34099 1.00000
H6 H 0.39992 0.02799 0.59995 1.00000
H7 H 0.71547 0.55723 0.29971 1.00000
H8 H 0.85672 0.88536 0.70211 1.00000
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