Lu3Ga2Mo7
Alexandria ALEXAlex-ID: agm101643296 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_69_spg12
Lu5Ga3 LuGa Mo
2025-05-16 07:43:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101643296).
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 agm101643296
data_agm101643296
_cell_length_a 9.33741
_cell_length_b 9.33741
_cell_length_c 9.33741
_cell_angle_alpha 33.87243
_cell_angle_beta 33.87243
_cell_angle_gamma 33.87243
_cell_volume 225.37071
_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
Lu1 Lu 0.00000 0.00000 0.00000 1.00000
Lu2 Lu 0.85784 0.85784 0.85784 1.00000
Lu3 Lu 0.14216 0.14216 0.14216 1.00000
Ga1 Ga 0.66600 0.66600 0.66600 1.00000
Ga2 Ga 0.33400 0.33400 0.33400 1.00000
Mo1 Mo 0.50000 0.50000 0.50000 1.00000
Mo2 Mo 0.41333 0.41333 0.92415 1.00000
Mo3 Mo 0.92415 0.41333 0.41333 1.00000
Mo4 Mo 0.41333 0.92415 0.41333 1.00000
Mo5 Mo 0.58667 0.58667 0.07585 1.00000
Mo6 Mo 0.58667 0.07585 0.58667 1.00000
Mo7 Mo 0.07585 0.58667 0.58667 1.00000
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