ScMn5H7
Alexandria ALEXAlex-ID: agm007351608 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_190_spg1
MnH2 Sc2MnH6 Mn4H3
2024-07-09 20:59:06.495612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007351608).
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 agm007351608
data_agm007351608
_cell_length_a 4.51911
_cell_length_b 5.35201
_cell_length_c 5.40264
_cell_angle_alpha 94.98016
_cell_angle_beta 117.31008
_cell_angle_gamma 114.93247
_cell_volume 98.71233
_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
Sc1 Sc 0.79678 0.78251 0.56613 1.00000
Mn1 Mn 0.13113 0.43709 0.57391 1.00000
Mn2 Mn 0.65045 0.96935 0.05140 1.00000
Mn3 Mn 0.48323 0.14259 0.56608 1.00000
Mn4 Mn 0.98025 0.63188 0.09180 1.00000
Mn5 Mn 0.29342 0.27864 0.05812 1.00000
H1 H 0.30781 0.34629 0.38042 1.00000
H2 H 0.60009 0.63976 0.09743 1.00000
H3 H 0.44904 0.94083 0.27157 1.00000
H4 H 0.76537 0.33691 0.20071 1.00000
H5 H 0.24999 0.19742 0.72387 1.00000
H6 H 0.36973 0.81962 0.65496 1.00000
H7 H 0.92273 0.47711 0.76360 1.00000
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