TmNbGa6
Alexandria ALEXAlex-ID: agm003774151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_33_spg200
NbGa3 TmGa3
2022-04-20 02:12:17.317911
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003774151).
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 agm003774151
data_agm003774151
_cell_length_a 5.03763
_cell_length_b 5.03763
_cell_length_c 9.55346
_cell_angle_alpha 56.76706
_cell_angle_beta 56.76706
_cell_angle_gamma 90.72720
_cell_volume 151.69982
_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
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.31591 0.94475 0.18919 1.00000
Ga2 Ga 0.94475 0.31591 0.18919 1.00000
Ga3 Ga 0.05525 0.68409 0.81081 1.00000
Ga4 Ga 0.68409 0.05525 0.81081 1.00000
Ga5 Ga 0.67687 0.67687 0.69380 1.00000
Ga6 Ga 0.32313 0.32313 0.30620 1.00000
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