Tb12Y5Tm2
Alexandria ALEXAlex-ID: agm005648319 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_512_spg2
Tb5Y Y5Tm YTm2
2023-06-26 15:37:16.031315
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648319).
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 agm005648319
data_agm005648319
_cell_length_a 6.76022
_cell_length_b 8.83786
_cell_length_c 12.56577
_cell_angle_alpha 108.93813
_cell_angle_beta 111.30447
_cell_angle_gamma 101.80268
_cell_volume 615.70486
_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 0.85601 0.99416 0.74889 1.00000
Tb2 Tb 0.43605 0.78612 0.40842 1.00000
Tb3 Tb 0.93564 0.83329 0.39088 1.00000
Tb4 Tb 0.33830 0.35740 0.20696 1.00000
Tb5 Tb 0.86350 0.44971 0.22175 1.00000
Tb6 Tb 0.59340 0.70602 0.07875 1.00000
Tb7 Tb 0.40660 0.29398 0.92125 1.00000
Tb8 Tb 0.66170 0.64260 0.79304 1.00000
Tb9 Tb 0.13650 0.55029 0.77825 1.00000
Tb10 Tb 0.56395 0.21388 0.59158 1.00000
Tb11 Tb 0.06436 0.16671 0.60912 1.00000
Tb12 Tb 0.14399 0.00584 0.25111 1.00000
Y1 Y 0.77073 0.55507 0.51556 1.00000
Y2 Y 0.69335 0.11840 0.30319 1.00000
Y3 Y 0.00000 0.50000 0.00000 1.00000
Y4 Y 0.30665 0.88160 0.69681 1.00000
Y5 Y 0.22927 0.44493 0.48444 1.00000
Tm1 Tm 0.77076 0.05826 0.00900 1.00000
Tm2 Tm 0.22924 0.94174 0.99100 1.00000
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