MgIn12Bi7
Alexandria ALEXAlex-ID: agm005802572 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_73_spg148
Bi In Mg3Bi2
2023-07-16 02:01:28.034764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802572).
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 agm005802572
data_agm005802572
_cell_length_a 8.26440
_cell_length_b 9.53782
_cell_length_c 9.53784
_cell_angle_alpha 67.98357
_cell_angle_beta 73.21260
_cell_angle_gamma 106.78742
_cell_volume 596.77784
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.95327 0.49590 0.21348 1.00000
In2 In 0.83324 0.78652 0.70939 1.00000
In3 In 0.60439 0.35310 0.04324 1.00000
In4 In 0.35237 0.95676 0.39634 1.00000
In5 In 0.54263 0.70939 0.50410 1.00000
In6 In 0.74871 0.39634 0.64690 1.00000
In7 In 0.25129 0.60366 0.35310 1.00000
In8 In 0.45737 0.29061 0.49590 1.00000
In9 In 0.64763 0.04324 0.60366 1.00000
In10 In 0.39561 0.64690 0.95676 1.00000
In11 In 0.16676 0.21348 0.29061 1.00000
In12 In 0.04673 0.50410 0.78652 1.00000
Bi1 Bi 0.81317 0.14613 0.20339 1.00000
Bi2 Bi 0.98343 0.79661 0.34953 1.00000
Bi3 Bi 0.33296 0.34953 0.85387 1.00000
Bi4 Bi 0.50000 0.00000 0.00000 1.00000
Bi5 Bi 0.66704 0.65047 0.14613 1.00000
Bi6 Bi 0.01657 0.20339 0.65047 1.00000
Bi7 Bi 0.18683 0.85387 0.79661 1.00000
