MgCrSb
Alexandria ALEXAlex-ID: agm002097697 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3821_spg8
Sb Cr Mg3Sb2
2021-11-11 02:42:48.122034
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002097697).
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 agm002097697
data_agm002097697
_cell_length_a 4.29451
_cell_length_b 4.48111
_cell_length_c 14.24659
_cell_angle_alpha 90.00000
_cell_angle_beta 98.56640
_cell_angle_gamma 90.00000
_cell_volume 271.10520
_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 0.89899 0.00000 0.09113 1.00000
Mg2 Mg 0.89899 0.50000 0.59113 1.00000
Mg3 Mg 0.78488 0.00000 0.40139 1.00000
Mg4 Mg 0.78488 0.50000 0.90139 1.00000
Cr1 Cr 0.21998 0.79943 0.27802 1.00000
Cr2 Cr 0.21998 0.20057 0.27802 1.00000
Cr3 Cr 0.21998 0.29943 0.77802 1.00000
Cr4 Cr 0.21998 0.70057 0.77802 1.00000
Sb1 Sb 0.31367 0.00000 0.94679 1.00000
Sb2 Sb 0.31367 0.50000 0.44679 1.00000
Sb3 Sb 0.68279 0.00000 0.70094 1.00000
Sb4 Sb 0.68279 0.50000 0.20094 1.00000
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