ZrMn(H3Os)2
Alexandria ALEXAlex-ID: agm007707487 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_494_spg15
ZrMnH5 Os H2
2024-03-05 17:33:34.347311
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007707487).
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 agm007707487
data_agm007707487
_cell_length_a 5.67504
_cell_length_b 5.67504
_cell_length_c 5.45303
_cell_angle_alpha 86.47729
_cell_angle_beta 86.47729
_cell_angle_gamma 112.56184
_cell_volume 161.18324
_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 0.67458 0.32542 0.75000 1.00000
Zr2 Zr 0.32542 0.67458 0.25000 1.00000
Mn1 Mn 0.19234 0.80766 0.75000 1.00000
Mn2 Mn 0.80766 0.19234 0.25000 1.00000
H1 H 0.39124 0.93701 0.94022 1.00000
H2 H 0.06299 0.60876 0.55978 1.00000
H3 H 0.60876 0.06299 0.05978 1.00000
H4 H 0.93701 0.39124 0.44022 1.00000
H5 H 0.62677 0.68049 0.91599 1.00000
H6 H 0.31951 0.37323 0.58401 1.00000
H7 H 0.37323 0.31951 0.08401 1.00000
H8 H 0.68049 0.62677 0.41599 1.00000
H9 H 0.45582 0.79887 0.59321 1.00000
H10 H 0.20113 0.54418 0.90679 1.00000
H11 H 0.54418 0.20113 0.40679 1.00000
H12 H 0.79887 0.45582 0.09321 1.00000
Os1 Os 0.87325 0.78524 0.12521 1.00000
Os2 Os 0.21476 0.12675 0.37479 1.00000
Os3 Os 0.12675 0.21476 0.87479 1.00000
Os4 Os 0.78524 0.87325 0.62521 1.00000
Get direct link