MnNb2Cu2B2Ir3
Alexandria ALEXAlex-ID: agm010777077 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E3_4_spg10
NbIr3 MnB NbB Cu
2024-06-24 11:52:50.842323
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010777077).
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 agm010777077
data_agm010777077
_cell_length_a 3.30899
_cell_length_b 8.82921
_cell_length_c 8.80433
_cell_angle_alpha 90.21513
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 257.22359
_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 0.50000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.00000 0.67622 0.82545 1.00000
Nb2 Nb 0.00000 0.32378 0.17455 1.00000
Nb3 Nb 0.00000 0.18057 0.67676 1.00000
Nb4 Nb 0.00000 0.81943 0.32324 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Cu2 Cu 0.50000 0.00000 0.50000 1.00000
Cu3 Cu 0.50000 0.56225 0.28589 1.00000
Cu4 Cu 0.50000 0.43775 0.71411 1.00000
B1 B 0.00000 0.11793 0.37587 1.00000
B2 B 0.00000 0.88207 0.62413 1.00000
B3 B 0.00000 0.61959 0.12299 1.00000
B4 B 0.00000 0.38041 0.87701 1.00000
Ir1 Ir 0.50000 0.06350 0.21528 1.00000
Ir2 Ir 0.50000 0.93650 0.78472 1.00000
Ir3 Ir 0.50000 0.28414 0.43661 1.00000
Ir4 Ir 0.50000 0.71586 0.56339 1.00000
Ir5 Ir 0.50000 0.21935 0.93290 1.00000
Ir6 Ir 0.50000 0.78065 0.06710 1.00000
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