Mg2InBi
Alexandria ALEXAlex-ID: agm005779043 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6611_spg6
MgIn6 Mg4In3 Mg3Bi2
2023-07-12 06:24:11.653763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779043).
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 agm005779043
data_agm005779043
_cell_length_a 5.12463
_cell_length_b 6.39467
_cell_length_c 7.96341
_cell_angle_alpha 53.85095
_cell_angle_beta 90.00006
_cell_angle_gamma 89.99994
_cell_volume 210.72432
_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 0.25001 0.17968 0.13115 1.00000
Mg2 Mg 0.74999 0.82032 0.86885 1.00000
Mg3 Mg 0.24999 0.57805 0.58147 1.00000
Mg4 Mg 0.75001 0.42195 0.41853 1.00000
In1 In 0.75000 0.93406 0.41430 1.00000
In2 In 0.25000 0.06594 0.58570 1.00000
Bi1 Bi 0.75000 0.33138 0.85710 1.00000
Bi2 Bi 0.25000 0.66862 0.14290 1.00000
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