Ba2NaAcTe4
Alexandria ALEXAlex-ID: agm004833249 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
NaAcTe2 BaTe
2023-01-27 06:43:11.401399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004833249).
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 agm004833249
data_agm004833249
_cell_length_a 4.89737
_cell_length_b 8.39712
_cell_length_c 8.41731
_cell_angle_alpha 108.98183
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 327.32878
_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 0.50000 0.00000 0.50000 1.00000
Ba2 Ba 0.00000 0.50000 0.50000 1.00000
Na1 Na 0.50000 0.50000 0.00000 1.00000
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.50000 0.24350 0.23283 1.00000
Te2 Te 0.50000 0.75650 0.76717 1.00000
Te3 Te 0.00000 0.24897 0.76329 1.00000
Te4 Te 0.00000 0.75103 0.23671 1.00000
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