Tb2Tm5Zr
Alexandria ALEXAlex-ID: agm003474875 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_411_spg63
Tb5Tm4 TmZr5 TbTm5
2022-02-23 07:45:09.479236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003474875).
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 agm003474875
data_agm003474875
_cell_length_a 5.43762
_cell_length_b 6.44815
_cell_length_c 15.15044
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 114.93829
_cell_volume 481.68488
_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
Tb1 Tb 0.77874 0.55747 0.36687 1.00000
Tb2 Tb 0.77874 0.55747 0.13313 1.00000
Tb3 Tb 0.22126 0.44253 0.63313 1.00000
Tb4 Tb 0.22126 0.44253 0.86687 1.00000
Tm1 Tm 0.91926 0.83851 0.90091 1.00000
Tm2 Tm 0.91926 0.83851 0.59909 1.00000
Tm3 Tm 0.37932 0.75864 0.44805 1.00000
Tm4 Tm 0.37932 0.75864 0.05195 1.00000
Tm5 Tm 0.53596 0.07192 0.25000 1.00000
Tm6 Tm 0.46404 0.92808 0.75000 1.00000
Tm7 Tm 0.62068 0.24136 0.55195 1.00000
Tm8 Tm 0.62068 0.24136 0.94805 1.00000
Tm9 Tm 0.08074 0.16149 0.09909 1.00000
Tm10 Tm 0.08074 0.16149 0.40091 1.00000
Zr1 Zr 0.72897 0.45795 0.75000 1.00000
Zr2 Zr 0.27103 0.54205 0.25000 1.00000
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