Mn(BH4)2
Alexandria ALEXAlex-ID: agm003249355 · Space group: I4_1/acd (#142)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_106_spg142
B2H5 BH9 MnB
2021-12-20 18:42:12.553158
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003249355).
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 agm003249355
data_agm003249355
_cell_length_a 8.07358
_cell_length_b 8.07317
_cell_length_c 7.67872
_cell_angle_alpha 61.60492
_cell_angle_beta 61.59966
_cell_angle_gamma 56.80545
_cell_volume 352.32687
_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
Mn1 Mn 0.74997 0.74997 0.25004 1.00000
Mn2 Mn 0.24996 0.24997 0.75008 1.00000
Mn3 Mn 0.50003 0.50003 0.99996 1.00000
Mn4 Mn 0.00004 0.00003 0.49992 1.00000
B1 B 0.87500 0.37507 0.35605 1.00000
B2 B 0.37509 0.87500 0.39387 1.00000
B3 B 0.39388 0.35603 0.37509 1.00000
B4 B 0.35603 0.39389 0.87500 1.00000
B5 B 0.37500 0.87493 0.89395 1.00000
B6 B 0.87491 0.37500 0.85613 1.00000
B7 B 0.85612 0.89397 0.87491 1.00000
B8 B 0.89397 0.85611 0.37500 1.00000
H1 H 0.01555 0.26031 0.24852 1.00000
H2 H 0.26032 0.01554 0.47563 1.00000
H3 H 0.47561 0.24854 0.26028 1.00000
H4 H 0.24854 0.47563 0.01557 1.00000
H5 H 0.23445 0.98969 0.00148 1.00000
H6 H 0.98968 0.23446 0.77437 1.00000
H7 H 0.77439 0.00146 0.98972 1.00000
H8 H 0.00146 0.77437 0.23443 1.00000
H9 H 0.36940 0.21519 0.95044 1.00000
H10 H 0.21519 0.36940 0.46501 1.00000
H11 H 0.46502 0.95041 0.21516 1.00000
H12 H 0.95040 0.46500 0.36943 1.00000
H13 H 0.88060 0.03481 0.29956 1.00000
H14 H 0.03481 0.88060 0.78499 1.00000
H15 H 0.78498 0.29959 0.03484 1.00000
H16 H 0.29960 0.78500 0.88057 1.00000
H17 H 0.53470 0.38058 0.79961 1.00000
H18 H 0.38057 0.53470 0.28508 1.00000
H19 H 0.28508 0.79965 0.38055 1.00000
H20 H 0.79964 0.28506 0.53473 1.00000
H21 H 0.71530 0.86942 0.45039 1.00000
H22 H 0.86943 0.71530 0.96492 1.00000
H23 H 0.96492 0.45035 0.86945 1.00000
H24 H 0.45036 0.96494 0.71527 1.00000
H25 H 0.73450 0.48979 0.27423 1.00000
H26 H 0.48981 0.73449 0.50147 1.00000
H27 H 0.50145 0.27425 0.48984 1.00000
H28 H 0.27423 0.50144 0.73448 1.00000
H29 H 0.51550 0.76021 0.97577 1.00000
H30 H 0.76019 0.51551 0.74853 1.00000
H31 H 0.74855 0.97575 0.76016 1.00000
H32 H 0.97577 0.74856 0.51552 1.00000
