HfTa2Mn3
Alexandria ALEXAlex-ID: agm040183178 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4629_spg15
HfTa5Mn6 Hf HfMn2
2025-04-15 07:05:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040183178).
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 agm040183178
data_agm040183178
_cell_length_a 6.90229
_cell_length_b 6.90229
_cell_length_c 7.58673
_cell_angle_alpha 90.06692
_cell_angle_beta 89.93308
_cell_angle_gamma 101.47347
_cell_volume 354.22113
_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 0.29007 0.45851 0.41749 1.00000
Hf2 Hf 0.70993 0.54149 0.58251 1.00000
Hf3 Hf 0.54149 0.70993 0.91749 1.00000
Hf4 Hf 0.45851 0.29007 0.08251 1.00000
Ta1 Ta 0.37459 0.87568 0.25213 1.00000
Ta2 Ta 0.79233 0.95946 0.41570 1.00000
Ta3 Ta 0.20767 0.04054 0.58430 1.00000
Ta4 Ta 0.62541 0.12432 0.74787 1.00000
Ta5 Ta 0.12432 0.62541 0.75213 1.00000
Ta6 Ta 0.04054 0.20767 0.91570 1.00000
Ta7 Ta 0.95946 0.79233 0.08430 1.00000
Ta8 Ta 0.87568 0.37459 0.24787 1.00000
Mn1 Mn 0.04294 0.71335 0.41589 1.00000
Mn2 Mn 0.54393 0.20055 0.41735 1.00000
Mn3 Mn 0.95706 0.28665 0.58411 1.00000
Mn4 Mn 0.45607 0.79945 0.58265 1.00000
Mn5 Mn 0.88052 0.88052 0.75000 1.00000
Mn6 Mn 0.36817 0.36817 0.75000 1.00000
Mn7 Mn 0.28665 0.95706 0.91589 1.00000
Mn8 Mn 0.79945 0.45607 0.91735 1.00000
Mn9 Mn 0.71335 0.04294 0.08411 1.00000
Mn10 Mn 0.20055 0.54393 0.08265 1.00000
Mn11 Mn 0.11948 0.11948 0.25000 1.00000
Mn12 Mn 0.63183 0.63183 0.25000 1.00000
