BaMg2(GeAu)2
Alexandria ALEXAlex-ID: agm024777839 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
BaGe2 MgAu
2024-12-05 10:36:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024777839).
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 agm024777839
data_agm024777839
_cell_length_a 4.48614
_cell_length_b 4.48614
_cell_length_c 9.84870
_cell_angle_alpha 76.75787
_cell_angle_beta 103.24213
_cell_angle_gamma 120.01349
_cell_volume 165.51934
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Mg1 Mg 0.86490 0.13510 0.09500 1.00000
Mg2 Mg 0.13510 0.86490 0.90500 1.00000
Ge1 Ge 0.41437 0.58563 0.74399 1.00000
Ge2 Ge 0.58563 0.41437 0.25601 1.00000
Au1 Au 0.23485 0.76515 0.20415 1.00000
Au2 Au 0.76515 0.23485 0.79585 1.00000
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