La4ZrTe8
Alexandria ALEXAlex-ID: agm097491850 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_344_spg12
ZrTe2 La2Te3
2025-06-20 00:42:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097491850).
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 agm097491850
data_agm097491850
_cell_length_a 9.04729
_cell_length_b 9.04729
_cell_length_c 7.23186
_cell_angle_alpha 90.00069
_cell_angle_beta 89.99931
_cell_angle_gamma 120.00564
_cell_volume 512.61654
_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
La1 La 0.00120 0.00120 0.00000 1.00000
La2 La 0.50102 0.50102 0.00000 1.00000
La3 La 0.50106 0.00102 0.00176 1.00000
La4 La 0.00102 0.50106 0.99824 1.00000
Zr1 Zr 0.00048 0.00048 0.50000 1.00000
Te1 Te 0.16034 0.31923 0.72519 1.00000
Te2 Te 0.68250 0.84196 0.72596 1.00000
Te3 Te 0.66652 0.33322 0.76219 1.00000
Te4 Te 0.16071 0.84238 0.72553 1.00000
Te5 Te 0.84238 0.16071 0.27447 1.00000
Te6 Te 0.33322 0.66652 0.23781 1.00000
Te7 Te 0.31923 0.16034 0.27481 1.00000
Te8 Te 0.84196 0.68250 0.27404 1.00000
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