Y8Te3
Alexandria ALEXAlex-ID: agm005239089 · Space group: C2/m (#12)
Basic Information
Formula
Y8Te3
Alex-ID
agm005239089
Elements
2
Sites
44
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
1,317.22
ų
Cell a
15.8311
Å
Cell b
15.8311
Å
Cell c
24.5352
Å
α angle
57.72
°
β angle
57.72
°
γ angle
14.73
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Y8Te3
Y
32.00 · 72.7%
Te
12.00 · 27.3%
Energy & Stability
Energy above hull
0.0014
eV/atom
Formation energy
-0.7479
eV/atom
Corrected total energy
-277.4244
eV
Raw total energy
-277.4244
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0072
eV
DOS at Fermi level
43.7865
Total magnetisation
0.0447
μB
Additional Information
Prototype ID
A3B8_30_spg12
Decomposition
Y3Te2 Y
Computed at
2023-04-20 04:50:37.415704
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239089).
Reference
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
BibTeX
@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
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm005239089
data_agm005239089
_cell_length_a 15.83113
_cell_length_b 15.83113
_cell_length_c 24.53524
_cell_angle_alpha 57.71616
_cell_angle_beta 57.71616
_cell_angle_gamma 14.72795
_cell_volume 1317.21502
_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
Y1 Y 0.48931 0.48931 0.43593 1.00000
Y2 Y 0.51069 0.51069 0.56407 1.00000
Y3 Y 0.66549 0.66549 0.15658 1.00000
Y4 Y 0.33451 0.33451 0.84342 1.00000
Y5 Y 0.78870 0.78870 0.13479 1.00000
Y6 Y 0.21130 0.21130 0.86521 1.00000
Y7 Y 0.12817 0.12817 0.06492 1.00000
Y8 Y 0.87183 0.87183 0.93508 1.00000
Y9 Y 0.80419 0.80419 0.74692 1.00000
Y10 Y 0.19581 0.19581 0.25308 1.00000
Y11 Y 0.93632 0.93632 0.05445 1.00000
Y12 Y 0.06368 0.06368 0.94555 1.00000
Y13 Y 0.90967 0.90967 0.40955 1.00000
Y14 Y 0.09033 0.09033 0.59045 1.00000
Y15 Y 0.83134 0.83134 0.33806 1.00000
Y16 Y 0.16866 0.16866 0.66194 1.00000
Y17 Y 0.77874 0.77874 0.60537 1.00000
Y18 Y 0.22126 0.22126 0.39463 1.00000
Y19 Y 0.91646 0.91646 0.57612 1.00000
Y20 Y 0.08354 0.08354 0.42388 1.00000
Y21 Y 0.26347 0.26347 0.04015 1.00000
Y22 Y 0.73653 0.73653 0.95985 1.00000
Y23 Y 0.95762 0.95762 0.71763 1.00000
Y24 Y 0.04238 0.04238 0.28237 1.00000
Y25 Y 0.70014 0.70014 0.53216 1.00000
Y26 Y 0.29986 0.29986 0.46784 1.00000
Y27 Y 0.35009 0.35009 0.19336 1.00000
Y28 Y 0.64991 0.64991 0.80664 1.00000
Y29 Y 0.51031 0.51031 0.08913 1.00000
Y30 Y 0.48969 0.48969 0.91087 1.00000
Y31 Y 0.44113 0.44113 0.27891 1.00000
Y32 Y 0.55887 0.55887 0.72109 1.00000
Te1 Te 0.63106 0.63106 0.47357 1.00000
Te2 Te 0.36894 0.36894 0.52643 1.00000
Te3 Te 0.37001 0.37001 0.03586 1.00000
Te4 Te 0.62999 0.62999 0.96414 1.00000
Te5 Te 0.92816 0.92816 0.18992 1.00000
Te6 Te 0.07184 0.07184 0.81008 1.00000
Te7 Te 0.55659 0.55659 0.17484 1.00000
Te8 Te 0.44341 0.44341 0.82516 1.00000
Te9 Te 0.60403 0.60403 0.31320 1.00000
Te10 Te 0.39597 0.39597 0.68680 1.00000
Te11 Te 0.76125 0.76125 0.27869 1.00000
Te12 Te 0.23875 0.23875 0.72131 1.00000
