Ca(La5Te8)2
Alexandria ALEXAlex-ID: agm017139279 · Space group: P-4 (#81)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB10C16_9_spg81
La2Te3 CaTe
2024-12-16 07:47:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017139279).
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 agm017139279
data_agm017139279
_cell_length_a 9.66410
_cell_length_b 9.66410
_cell_length_c 9.71632
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 907.45398
_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 0.50000 0.50000 0.00000 1.00000
La1 La 0.75109 0.12524 0.86641 1.00000
La2 La 0.50000 0.00000 0.25049 1.00000
La3 La 0.87476 0.75109 0.13359 1.00000
La4 La 0.24891 0.87476 0.86641 1.00000
La5 La 0.62873 0.75658 0.62362 1.00000
La6 La 0.24342 0.62873 0.37638 1.00000
La7 La 0.00000 0.50000 0.74951 1.00000
La8 La 0.37127 0.24342 0.62362 1.00000
La9 La 0.75658 0.37127 0.37638 1.00000
La10 La 0.12524 0.24891 0.13359 1.00000
Te1 Te 0.07813 0.17898 0.81048 1.00000
Te2 Te 0.67405 0.07880 0.54336 1.00000
Te3 Te 0.42730 0.17691 0.95170 1.00000
Te4 Te 0.57270 0.82309 0.95170 1.00000
Te5 Te 0.92187 0.82102 0.81048 1.00000
Te6 Te 0.82102 0.07813 0.18952 1.00000
Te7 Te 0.32595 0.92120 0.54336 1.00000
Te8 Te 0.57490 0.67403 0.30256 1.00000
Te9 Te 0.17898 0.92187 0.18952 1.00000
Te10 Te 0.17691 0.57270 0.04830 1.00000
Te11 Te 0.92120 0.67405 0.45664 1.00000
Te12 Te 0.07880 0.32595 0.45664 1.00000
Te13 Te 0.42510 0.32597 0.30256 1.00000
Te14 Te 0.32597 0.57490 0.69744 1.00000
Te15 Te 0.82309 0.42730 0.04830 1.00000
Te16 Te 0.67403 0.42510 0.69744 1.00000
