Mg2Au3Br7
Alexandria ALEXAlex-ID: agm101366261 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_792_spg1
AuBr MgBr2
2025-05-18 22:54:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101366261).
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
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# CIF generated by HEAS from Alexandria entry agm101366261
data_agm101366261
_cell_length_a 7.16122
_cell_length_b 7.14547
_cell_length_c 15.15029
_cell_angle_alpha 49.15696
_cell_angle_beta 48.78270
_cell_angle_gamma 54.45037
_cell_volume 425.45156
_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 0.76811 0.63675 0.93655 1.00000
Mg2 Mg 0.38951 0.17631 0.08058 1.00000
Au1 Au 0.92677 0.02388 0.93112 1.00000
Au2 Au 0.89933 0.11212 0.61066 1.00000
Au3 Au 0.90111 0.11297 0.41019 1.00000
Br1 Br 0.61286 0.41519 0.50666 1.00000
Br2 Br 0.95346 0.56206 0.08055 1.00000
Br3 Br 0.17282 0.82705 0.30688 1.00000
Br4 Br 0.53763 0.28787 0.15341 1.00000
Br5 Br 0.16938 0.81323 0.72317 1.00000
Br6 Br 0.77651 0.48930 0.80831 1.00000
Br7 Br 0.39250 0.04326 0.95193 1.00000
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