TmGa
Alexandria ALEXAlex-ID: agm067828294 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_542_spg14
TmGa
2024-12-31 04:29:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067828294).
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 agm067828294
data_agm067828294
_cell_length_a 6.89253
_cell_length_b 6.89253
_cell_length_c 6.53270
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.76797
_cell_volume 183.43347
_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 0.55046 0.44954 0.25000 1.00000
Tm2 Tm 0.44954 0.55046 0.75000 1.00000
Tm3 Tm 0.27630 0.72370 0.25000 1.00000
Tm4 Tm 0.72370 0.27630 0.75000 1.00000
Ga1 Ga 0.09866 0.90134 0.94881 1.00000
Ga2 Ga 0.90134 0.09866 0.05119 1.00000
Ga3 Ga 0.90134 0.09866 0.44881 1.00000
Ga4 Ga 0.09866 0.90134 0.55119 1.00000
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