Tb12Dy5Hg2
Alexandria ALEXAlex-ID: agm003372268 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_91_spg12
TbDyHg Tb5Dy Dy2Hg
2022-02-08 11:26:37.429252
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003372268).
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 agm003372268
data_agm003372268
_cell_length_a 8.57960
_cell_length_b 11.62465
_cell_length_c 8.63401
_cell_angle_alpha 127.36505
_cell_angle_beta 90.00000
_cell_angle_gamma 111.65557
_cell_volume 606.15356
_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 0.06741 0.13483 0.22672 1.00000
Tb2 Tb 0.07602 0.74683 0.01503 1.00000
Tb3 Tb 0.67081 0.74683 0.01503 1.00000
Tb4 Tb 0.02881 0.66326 0.36407 1.00000
Tb5 Tb 0.63445 0.66326 0.36407 1.00000
Tb6 Tb 0.47743 0.95486 0.64549 1.00000
Tb7 Tb 0.52257 0.04514 0.35451 1.00000
Tb8 Tb 0.97119 0.33674 0.63593 1.00000
Tb9 Tb 0.36555 0.33674 0.63593 1.00000
Tb10 Tb 0.92398 0.25317 0.98497 1.00000
Tb11 Tb 0.32919 0.25317 0.98497 1.00000
Tb12 Tb 0.93259 0.86517 0.77328 1.00000
Dy1 Dy 0.28956 0.57912 0.56367 1.00000
Dy2 Dy 0.29250 0.58499 0.10289 1.00000
Dy3 Dy 0.00000 0.00000 0.50000 1.00000
Dy4 Dy 0.70750 0.41501 0.89711 1.00000
Dy5 Dy 0.71044 0.42088 0.43633 1.00000
Hg1 Hg 0.66827 0.00000 0.00000 1.00000
Hg2 Hg 0.33173 1.00000 1.00000 1.00000
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