Tb2Nd3TmSe6
Alexandria ALEXAlex-ID: agm033279233 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Tb2Nd3Se5 Tb4NdSe5 NdTmSe2
2024-12-09 15:57:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033279233).
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 agm033279233
data_agm033279233
_cell_length_a 9.32282
_cell_length_b 9.32282
_cell_length_c 8.38312
_cell_angle_alpha 75.74720
_cell_angle_beta 104.25280
_cell_angle_gamma 154.49754
_cell_volume 303.54783
_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 0.16797 0.83203 0.83515 1.00000
Tb2 Tb 0.83203 0.16797 0.16485 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.16866 0.83134 0.33332 1.00000
Nd3 Nd 0.83134 0.16866 0.66668 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.66099 0.33901 0.58864 1.00000
Se2 Se 0.33118 0.66882 0.92392 1.00000
Se3 Se 0.33901 0.66099 0.41136 1.00000
Se4 Se 0.99776 0.00224 0.26264 1.00000
Se5 Se 0.00224 0.99776 0.73736 1.00000
Se6 Se 0.66882 0.33118 0.07608 1.00000
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