Cs3Nd(TmTe3)2
Alexandria ALEXAlex-ID: agm034304172 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_125_spg2
CsTmTe2 CsNdTe2
2025-01-03 19:19:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034304172).
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 agm034304172
data_agm034304172
_cell_length_a 11.32773
_cell_length_b 11.32773
_cell_length_c 10.36772
_cell_angle_alpha 67.54866
_cell_angle_beta 112.45134
_cell_angle_gamma 156.73780
_cell_volume 483.82751
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
Cs2 Cs 0.16492 0.83508 0.83197 1.00000
Cs3 Cs 0.83508 0.16492 0.16803 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.16859 0.83141 0.33564 1.00000
Tm2 Tm 0.83141 0.16859 0.66436 1.00000
Te1 Te 0.65717 0.34283 0.12363 1.00000
Te2 Te 0.31946 0.68054 0.45287 1.00000
Te3 Te 0.34283 0.65717 0.87637 1.00000
Te4 Te 0.98308 0.01692 0.77357 1.00000
Te5 Te 0.01692 0.98308 0.22643 1.00000
Te6 Te 0.68054 0.31946 0.54713 1.00000
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