Zr2Mn5Ge3H2
Alexandria ALEXAlex-ID: agm004491192 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D5_0_spg139
Mn3GeH Zr2Mn2Ge2H
2022-06-17 16:08:29.402431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004491192).
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 agm004491192
data_agm004491192
_cell_length_a 3.76864
_cell_length_b 3.76864
_cell_length_c 10.87994
_cell_angle_alpha 99.97346
_cell_angle_beta 99.97346
_cell_angle_gamma 90.00000
_cell_volume 149.81715
_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 0.69891 0.69891 0.39782 1.00000
Zr2 Zr 0.30109 0.30109 0.60218 1.00000
Mn1 Mn 0.58495 0.08495 0.16990 1.00000
Mn2 Mn 0.41505 0.91505 0.83010 1.00000
Mn3 Mn 0.08495 0.58495 0.16990 1.00000
Mn4 Mn 0.91505 0.41505 0.83010 1.00000
Mn5 Mn 0.50000 0.50000 0.00000 1.00000
Ge1 Ge 0.16585 0.16585 0.33170 1.00000
Ge2 Ge 0.83415 0.83415 0.66830 1.00000
Ge3 Ge 0.00000 0.00000 0.00000 1.00000
H1 H 0.41201 0.41201 0.82401 1.00000
H2 H 0.58799 0.58799 0.17599 1.00000
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