MnCr(Tc2Mo)2
Alexandria ALEXAlex-ID: agm033700735 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
MnCr15 Mn8Tc3Mo Mo Tc
2024-10-14 11:50:01.158467
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033700735).
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
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# CIF generated by HEAS from Alexandria entry agm033700735
data_agm033700735
_cell_length_a 7.46757
_cell_length_b 7.46757
_cell_length_c 7.46757
_cell_angle_alpha 33.92869
_cell_angle_beta 33.92869
_cell_angle_gamma 33.92869
_cell_volume 115.62889
_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 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
Tc1 Tc 0.37892 0.37892 0.37892 1.00000
Tc2 Tc 0.87222 0.87222 0.87222 1.00000
Tc3 Tc 0.12778 0.12778 0.12778 1.00000
Tc4 Tc 0.62108 0.62108 0.62108 1.00000
Mo1 Mo 0.74717 0.74717 0.74717 1.00000
Mo2 Mo 0.25283 0.25283 0.25283 1.00000
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