CaLa4Nd3Te8
Alexandria ALEXAlex-ID: agm004733697 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
La3NdTe4 CaTe NdTe
2023-02-03 05:20:09.306025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004733697).
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 agm004733697
data_agm004733697
_cell_length_a 9.09623
_cell_length_b 9.07356
_cell_length_c 9.09551
_cell_angle_alpha 120.07420
_cell_angle_beta 120.00264
_cell_angle_gamma 90.00000
_cell_volume 530.20744
_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
Ca1 Ca 0.00000 0.50000 0.00000 1.00000
La1 La 0.50000 0.00000 0.00000 1.00000
La2 La 0.50000 0.00000 0.50000 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
La4 La 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.50000 0.50000 0.50000 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.24581 0.74260 0.99675 1.00000
Te2 Te 0.24612 0.74295 0.49223 1.00000
Te3 Te 0.25149 0.25451 0.50298 1.00000
Te4 Te 0.75095 0.74260 0.99675 1.00000
Te5 Te 0.24905 0.25740 0.00325 1.00000
Te6 Te 0.74851 0.74549 0.49702 1.00000
Te7 Te 0.75388 0.25705 0.50777 1.00000
Te8 Te 0.75419 0.25740 0.00325 1.00000
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