Mg8Cr
Alexandria ALEXAlex-ID: agm005503816 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8_0_spg139
Cr Mg
2023-03-19 13:43:21.922844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503816).
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 agm005503816
data_agm005503816
_cell_length_a 7.07757
_cell_length_b 7.07757
_cell_length_c 7.07757
_cell_angle_alpha 95.38886
_cell_angle_beta 95.38886
_cell_angle_gamma 144.30853
_cell_volume 196.88731
_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
Mg1 Mg 0.66112 0.33888 0.00000 1.00000
Mg2 Mg 0.33888 0.66112 0.00000 1.00000
Mg3 Mg 0.00000 0.67126 0.67126 1.00000
Mg4 Mg 0.33888 0.33888 0.67776 1.00000
Mg5 Mg 0.67126 0.00000 0.67126 1.00000
Mg6 Mg 0.66112 0.66112 0.32224 1.00000
Mg7 Mg 0.00000 0.32874 0.32874 1.00000
Mg8 Mg 0.32874 0.00000 0.32874 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
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