CsNdTeBr2O3
Alexandria ALEXAlex-ID: agm010887409 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E3_11_spg14
Nd11Te16BrO48 Cs2TeBr6 Nd5Te2Br3O10 CsBr
2025-02-21 13:28:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010887409).
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 agm010887409
data_agm010887409
_cell_length_a 7.04490
_cell_length_b 7.36516
_cell_length_c 19.56740
_cell_angle_alpha 90.00000
_cell_angle_beta 104.72526
_cell_angle_gamma 90.00000
_cell_volume 981.94426
_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 0.26381 0.30175 0.43533 1.00000
Cs2 Cs 0.73619 0.80175 0.06467 1.00000
Cs3 Cs 0.73619 0.69825 0.56467 1.00000
Cs4 Cs 0.26381 0.19825 0.93533 1.00000
Nd1 Nd 0.36384 0.67284 0.74097 1.00000
Nd2 Nd 0.36384 0.82716 0.24097 1.00000
Nd3 Nd 0.63616 0.32716 0.25903 1.00000
Nd4 Nd 0.63616 0.17284 0.75903 1.00000
Te1 Te 0.12310 0.31928 0.20140 1.00000
Te2 Te 0.87690 0.81928 0.29860 1.00000
Te3 Te 0.12310 0.18072 0.70140 1.00000
Te4 Te 0.87690 0.68072 0.79860 1.00000
Br1 Br 0.38234 0.81627 0.39347 1.00000
Br2 Br 0.61766 0.31627 0.10653 1.00000
Br3 Br 0.38234 0.68373 0.89347 1.00000
Br4 Br 0.61766 0.18373 0.60653 1.00000
Br5 Br 0.74872 0.36439 0.41405 1.00000
Br6 Br 0.25128 0.86439 0.08595 1.00000
Br7 Br 0.25128 0.63561 0.58595 1.00000
Br8 Br 0.74872 0.13561 0.91405 1.00000
O1 O 0.01493 0.66803 0.72870 1.00000
O2 O 0.31333 0.50605 0.23102 1.00000
O3 O 0.98507 0.33197 0.27130 1.00000
O4 O 0.68667 0.49395 0.76898 1.00000
O5 O 0.67724 0.85059 0.75657 1.00000
O6 O 0.68667 0.00605 0.26898 1.00000
O7 O 0.32276 0.14941 0.24343 1.00000
O8 O 0.67724 0.64941 0.25657 1.00000
O9 O 0.32276 0.35059 0.74343 1.00000
O10 O 0.31333 0.99395 0.73102 1.00000
O11 O 0.98507 0.16803 0.77130 1.00000
O12 O 0.01493 0.83197 0.22870 1.00000
