MgNiW
Alexandria ALEXAlex-ID: agm003100202 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_675_spg8
Mg2Ni MgNi2 W
2023-03-26 06:09:16.227890
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003100202).
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 agm003100202
data_agm003100202
_cell_length_a 2.69873
_cell_length_b 4.56014
_cell_length_c 8.38229
_cell_angle_alpha 84.78858
_cell_angle_beta 117.58933
_cell_angle_gamma 90.58918
_cell_volume 90.99035
_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 0.12745 0.11124 0.90746 1.00000
Ni2 Ni 0.54806 0.73142 0.16393 1.00000
Mg1 Mg 0.08589 0.22209 0.21976 1.00000
Mg2 Mg 0.59048 0.62082 0.85143 1.00000
W1 W 0.13742 0.16092 0.61001 1.00000
W2 W 0.53775 0.68200 0.46130 1.00000
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