ZrMn2NbH8
Alexandria ALEXAlex-ID: agm007618388 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_191_spg1
Zr(NbH3)2 MnH2 ZrMnH5 Mn4H3
2025-04-28 18:26:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007618388).
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 agm007618388
data_agm007618388
_cell_length_a 5.03210
_cell_length_b 5.03210
_cell_length_c 6.26892
_cell_angle_alpha 67.65927
_cell_angle_beta 112.34073
_cell_angle_gamma 142.60953
_cell_volume 88.29336
_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 0.73814 0.26186 0.21593 1.00000
Mn1 Mn 0.98828 0.01172 0.88300 1.00000
Mn2 Mn 0.48786 0.51214 0.54894 1.00000
Nb1 Nb 0.23812 0.76188 0.71596 1.00000
H1 H 0.07070 0.92930 0.17040 1.00000
H2 H 0.82047 0.17953 0.92809 1.00000
H3 H 0.40562 0.59438 0.26154 1.00000
H4 H 0.48430 0.51570 0.96262 1.00000
H5 H 0.99199 0.00801 0.46932 1.00000
H6 H 0.18358 0.81642 0.97987 1.00000
H7 H 0.29265 0.70735 0.45198 1.00000
H8 H 0.65579 0.34421 0.50386 1.00000
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