Tm3Zr2Ga3
Alexandria ALEXAlex-ID: agm009145014 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_61_spg193
Tm3Ga2 Zr2Ga
2024-04-21 21:15:51.092155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009145014).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm009145014
data_agm009145014
_cell_length_a 8.38650
_cell_length_b 8.38650
_cell_length_c 6.03738
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 367.74016
_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 0.24106 0.24106 0.25000 1.00000
Tm2 Tm 0.75894 0.00000 0.25000 1.00000
Tm3 Tm 0.00000 0.75894 0.25000 1.00000
Tm4 Tm 0.75894 0.75894 0.75000 1.00000
Tm5 Tm 0.24106 0.00000 0.75000 1.00000
Tm6 Tm 0.00000 0.24106 0.75000 1.00000
Zr1 Zr 0.33333 0.66667 0.00000 1.00000
Zr2 Zr 0.66667 0.33333 0.50000 1.00000
Zr3 Zr 0.66667 0.33333 0.00000 1.00000
Zr4 Zr 0.33333 0.66667 0.50000 1.00000
Ga1 Ga 0.59655 0.59655 0.25000 1.00000
Ga2 Ga 0.40345 0.00000 0.25000 1.00000
Ga3 Ga 0.00000 0.40345 0.25000 1.00000
Ga4 Ga 0.40345 0.40345 0.75000 1.00000
Ga5 Ga 0.59655 0.00000 0.75000 1.00000
Ga6 Ga 0.00000 0.59655 0.75000 1.00000
Get direct link