Tb2Nd2SmHg2
Alexandria ALEXAlex-ID: agm025477705 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_67_spg12
Nd2Hg Sm2Hg Tb2Hg Nd
2025-05-06 21:33:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025477705).
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 agm025477705
data_agm025477705
_cell_length_a 6.75053
_cell_length_b 6.75053
_cell_length_c 8.76040
_cell_angle_alpha 81.32167
_cell_angle_beta 98.67833
_cell_angle_gamma 147.69356
_cell_volume 210.70672
_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 0.87198 0.12802 0.55215 1.00000
Tb2 Tb 0.12802 0.87198 0.44785 1.00000
Nd1 Nd 0.25677 0.74323 0.82990 1.00000
Nd2 Nd 0.74323 0.25677 0.17010 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.45179 0.54821 0.27349 1.00000
Hg2 Hg 0.54821 0.45179 0.72651 1.00000
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