MnCr2FeH
Alexandria ALEXAlex-ID: agm007199239 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_28_spg11
CrFe11 Mn2H MnCr15 MnCrH2
2025-05-27 12:01:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007199239).
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 agm007199239
data_agm007199239
_cell_length_a 5.09039
_cell_length_b 3.95166
_cell_length_c 4.96615
_cell_angle_alpha 90.00000
_cell_angle_beta 105.30979
_cell_angle_gamma 90.00000
_cell_volume 96.35137
_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
Mn1 Mn 0.86540 0.25041 0.80329 1.00000
Mn2 Mn 0.13460 0.75041 0.19671 1.00000
Cr1 Cr 0.63476 0.75039 0.93962 1.00000
Cr2 Cr 0.65903 0.75039 0.41412 1.00000
Cr3 Cr 0.36524 0.25039 0.06038 1.00000
Cr4 Cr 0.34097 0.25039 0.58588 1.00000
Fe1 Fe 0.89033 0.25040 0.29117 1.00000
Fe2 Fe 0.10967 0.75040 0.70883 1.00000
H1 H 0.61917 0.25023 0.43201 1.00000
H2 H 0.38083 0.75023 0.56799 1.00000
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