Ba3La2NdTe6
Alexandria ALEXAlex-ID: agm004615883 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
La3NdTe4 BaTe NdTe
2022-07-02 08:35:17.990779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004615883).
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 agm004615883
data_agm004615883
_cell_length_a 8.15432
_cell_length_b 8.15432
_cell_length_c 8.37550
_cell_angle_alpha 99.34918
_cell_angle_beta 99.34918
_cell_angle_gamma 119.94389
_cell_volume 456.43716
_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
Ba1 Ba 0.16768 0.83232 0.50000 1.00000
Ba2 Ba 0.83232 0.16768 0.50000 1.00000
Ba3 Ba 0.50000 0.50000 0.50000 1.00000
La1 La 0.33357 0.66643 0.00000 1.00000
La2 La 0.66643 0.33357 0.00000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.92457 0.59379 0.77336 1.00000
Te2 Te 0.74549 0.74549 0.22805 1.00000
Te3 Te 0.07543 0.40621 0.22664 1.00000
Te4 Te 0.59379 0.92457 0.77336 1.00000
Te5 Te 0.25451 0.25451 0.77195 1.00000
Te6 Te 0.40621 0.07543 0.22664 1.00000
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