ZrMn2BiH8
Alexandria ALEXAlex-ID: agm007495231 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_23_spg2
MnH2 ZrMnH5 Mn4H3 BiH2
2025-05-28 05:15:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007495231).
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 agm007495231
data_agm007495231
_cell_length_a 5.01050
_cell_length_b 4.87736
_cell_length_c 6.14670
_cell_angle_alpha 67.00009
_cell_angle_beta 75.88546
_cell_angle_gamma 60.20936
_cell_volume 119.76603
_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
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.34602 0.34373 0.96573 1.00000
Mn2 Mn 0.65398 0.65627 0.03427 1.00000
Bi1 Bi 0.00000 0.50000 0.50000 1.00000
H1 H 0.35895 0.48720 0.67995 1.00000
H2 H 0.98951 0.45604 0.88043 1.00000
H3 H 0.64105 0.51280 0.32005 1.00000
H4 H 0.40687 0.69548 0.84849 1.00000
H5 H 0.59313 0.30452 0.15151 1.00000
H6 H 0.64253 0.03998 0.84729 1.00000
H7 H 0.35747 0.96002 0.15271 1.00000
H8 H 0.01049 0.54396 0.11957 1.00000
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