Mn4InH7
Alexandria ALEXAlex-ID: agm006524813 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_828_spg31
Mn4H3 In MnH2
2023-12-31 00:25:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006524813).
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 agm006524813
data_agm006524813
_cell_length_a 3.51541
_cell_length_b 5.64766
_cell_length_c 10.40938
_cell_angle_alpha 90.00061
_cell_angle_beta 89.99997
_cell_angle_gamma 90.00005
_cell_volume 206.66646
_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
H1 H 0.01302 0.60163 0.21064 1.00000
H2 H 0.51302 0.39838 0.28936 1.00000
H3 H 0.51274 0.35174 0.91545 1.00000
H4 H 0.01274 0.64825 0.58457 1.00000
H5 H 0.01275 0.64826 0.41544 1.00000
H6 H 0.51275 0.35175 0.08457 1.00000
H7 H 0.51294 0.85392 0.73140 1.00000
H8 H 0.01294 0.14608 0.76861 1.00000
H9 H 0.01295 0.14607 0.23140 1.00000
H10 H 0.51295 0.85394 0.26860 1.00000
H11 H 0.51248 0.63403 0.00001 1.00000
H12 H 0.01249 0.36598 0.50000 1.00000
H13 H 0.01302 0.60162 0.78937 1.00000
H14 H 0.51302 0.39838 0.71065 1.00000
Mn1 Mn 0.51305 0.61278 0.83990 1.00000
Mn2 Mn 0.01296 0.86191 0.30871 1.00000
Mn3 Mn 0.51296 0.13810 0.19127 1.00000
Mn4 Mn 0.01305 0.38720 0.66013 1.00000
Mn5 Mn 0.01306 0.38720 0.33987 1.00000
Mn6 Mn 0.51306 0.61280 0.16012 1.00000
Mn7 Mn 0.01295 0.86188 0.69129 1.00000
Mn8 Mn 0.51295 0.13812 0.80874 1.00000
In1 In 0.51291 0.06283 0.50001 1.00000
In2 In 0.01291 0.93716 0.00001 1.00000
