Ni8Mo3
Alexandria ALEXAlex-ID: agm005536612 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_101_spg12
Ni2Mo Ni3Mo
2023-05-28 05:32:03.069574
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005536612).
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 agm005536612
data_agm005536612
_cell_length_a 4.53003
_cell_length_b 6.34721
_cell_length_c 6.35548
_cell_angle_alpha 123.20223
_cell_angle_beta 82.20139
_cell_angle_gamma 115.15935
_cell_volume 137.25709
_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
Ni1 Ni 0.85047 0.27323 0.98819 1.00000
Ni2 Ni 0.19070 0.99992 0.84465 1.00000
Ni3 Ni 0.87672 0.75455 0.37710 1.00000
Ni4 Ni 0.42271 0.27344 0.28483 1.00000
Ni5 Ni 0.57729 0.72656 0.71517 1.00000
Ni6 Ni 0.12328 0.24545 0.62290 1.00000
Ni7 Ni 0.80930 0.00008 0.15535 1.00000
Ni8 Ni 0.14953 0.72677 0.01181 1.00000
Mo1 Mo 0.50000 0.00000 0.50000 1.00000
Mo2 Mo 0.00000 0.50000 0.50000 1.00000
Mo3 Mo 0.50000 0.50000 0.00000 1.00000
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