Hf(Mn3Cr)2
Alexandria ALEXAlex-ID: agm005758876 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_636_spg71
MnCr15 HfMn2 Mn
2023-07-06 22:34:47.539377
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758876).
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 agm005758876
data_agm005758876
_cell_length_a 2.74874
_cell_length_b 7.16961
_cell_length_c 7.16961
_cell_angle_alpha 54.47052
_cell_angle_beta 79.05726
_cell_angle_gamma 79.05727
_cell_volume 112.33634
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.31747 0.01231 0.35374 1.00000
Mn2 Mn 0.68253 0.98769 0.64626 1.00000
Mn3 Mn 0.68253 0.64626 0.98769 1.00000
Mn4 Mn 0.50000 0.34141 0.65859 1.00000
Mn5 Mn 0.50000 0.65859 0.34141 1.00000
Mn6 Mn 0.31747 0.35374 0.01231 1.00000
Cr1 Cr 0.14181 0.35641 0.35641 1.00000
Cr2 Cr 0.85819 0.64359 0.64359 1.00000
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