Mn2BiH7
Alexandria ALEXAlex-ID: agm006206451 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_894_spg1
BiH2 BiH9 MnH2
2023-12-31 02:37:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006206451).
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
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# CIF generated by HEAS from Alexandria entry agm006206451
data_agm006206451
_cell_length_a 4.95139
_cell_length_b 5.64324
_cell_length_c 4.81188
_cell_angle_alpha 126.09524
_cell_angle_beta 58.58532
_cell_angle_gamma 100.49864
_cell_volume 91.18554
_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 0.18492 0.94617 0.31307 1.00000
H2 H 0.84773 0.94185 0.85880 1.00000
H3 H 0.58985 0.71241 0.70308 1.00000
H4 H 0.76668 0.01456 0.34284 1.00000
H5 H 0.47364 0.70689 0.36336 1.00000
H6 H 0.52292 0.14232 0.16426 1.00000
H7 H 0.85864 0.57417 0.82486 1.00000
Mn1 Mn 0.17451 0.80519 0.86112 1.00000
Mn2 Mn 0.56367 0.85315 0.12077 1.00000
Bi1 Bi 0.24996 0.36068 0.91599 1.00000
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