La2Nd3YTe6
Alexandria ALEXAlex-ID: agm044017733 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_594_spg8
NdYTe2 La3NdTe4 NdTe
2025-03-01 00:50:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044017733).
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 agm044017733
data_agm044017733
_cell_length_a 7.81297
_cell_length_b 7.81297
_cell_length_c 7.80083
_cell_angle_alpha 80.38747
_cell_angle_beta 99.61253
_cell_angle_gamma 59.77413
_cell_volume 387.65335
_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
La1 La 0.33475 0.33475 0.00000 1.00000
La2 La 0.66525 0.66525 0.00000 1.00000
Nd1 Nd 0.17390 0.17390 0.50000 1.00000
Nd2 Nd 0.82610 0.82610 0.50000 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.40498 0.91875 0.24669 1.00000
Te2 Te 0.23728 0.76272 0.74511 1.00000
Te3 Te 0.59502 0.08125 0.75331 1.00000
Te4 Te 0.08125 0.59502 0.24669 1.00000
Te5 Te 0.76272 0.23728 0.25489 1.00000
Te6 Te 0.91875 0.40498 0.75331 1.00000
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