Tb23Te25
Alexandria ALEXAlex-ID: agm007756407 · Space group: P1 (#1)
Basic Information
Formula
Tb23Te25
Alex-ID
agm007756407
Elements
2
Sites
48
Space group
P1 (#1)
Crystal system
triclinic
Volume
1,497.74
ų
Cell a
9.0631
Å
Cell b
9.2087
Å
Cell c
18.5135
Å
α angle
89.68
°
β angle
99.54
°
γ angle
100.51
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Tb23Te25
Tb
23.00 · 47.9%
Te
25.00 · 52.1%
Energy & Stability
Energy above hull
0.0731
eV/atom
Formation energy
-1.3006
eV/atom
Corrected total energy
-247.5161
eV
Raw total energy
-247.5161
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0090
eV
DOS at Fermi level
25.0594
Total magnetisation
13.4526
μB
Additional Information
Prototype ID
A23B25_0_spg1
Decomposition
Tb5Te6 TbTe
Computed at
2025-02-26 05:39:50
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: agm007756407).
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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm007756407
data_agm007756407
_cell_length_a 9.06312
_cell_length_b 9.20873
_cell_length_c 18.51354
_cell_angle_alpha 89.67736
_cell_angle_beta 99.53787
_cell_angle_gamma 100.50721
_cell_volume 1497.74397
_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
Tb1 Tb 0.06338 0.71598 0.07868 1.00000
Tb2 Tb 0.26648 0.15196 0.11936 1.00000
Tb3 Tb 0.05977 0.90639 0.28002 1.00000
Tb4 Tb 0.46956 0.59660 0.16277 1.00000
Tb5 Tb 0.87126 0.27923 0.03607 1.00000
Tb6 Tb 0.26664 0.35929 0.32080 1.00000
Tb7 Tb 0.66239 0.02792 0.20365 1.00000
Tb8 Tb 0.46619 0.79227 0.35949 1.00000
Tb9 Tb 0.86730 0.47594 0.24075 1.00000
Tb10 Tb 0.27062 0.55860 0.51512 1.00000
Tb11 Tb 0.66955 0.23100 0.40175 1.00000
Tb12 Tb 0.06319 0.30773 0.68119 1.00000
Tb13 Tb 0.46298 0.99644 0.56000 1.00000
Tb14 Tb 0.87083 0.67182 0.43628 1.00000
Tb15 Tb 0.66581 0.43208 0.59899 1.00000
Tb16 Tb 0.26491 0.75296 0.72162 1.00000
Tb17 Tb 0.46630 0.19350 0.76096 1.00000
Tb18 Tb 0.86890 0.87686 0.64352 1.00000
Tb19 Tb 0.06648 0.51159 0.88000 1.00000
Tb20 Tb 0.27123 0.95148 0.92227 1.00000
Tb21 Tb 0.66057 0.62576 0.79937 1.00000
Tb22 Tb 0.86799 0.07946 0.84104 1.00000
Tb23 Tb 0.47082 0.39130 0.95607 1.00000
Te1 Te 0.20667 0.44291 0.04029 1.00000
Te2 Te 0.39678 0.87964 0.08265 1.00000
Te3 Te 0.19923 0.64040 0.23860 1.00000
Te4 Te 0.60139 0.31947 0.11914 1.00000
Te5 Te 0.00536 0.00475 0.99931 1.00000
Te6 Te 0.39504 0.08136 0.28110 1.00000
Te7 Te 0.79933 0.75974 0.16016 1.00000
Te8 Te 0.20174 0.84094 0.43901 1.00000
Te9 Te 0.60001 0.51741 0.32059 1.00000
Te10 Te 0.99814 0.19876 0.19966 1.00000
Te11 Te 0.79772 0.95765 0.36002 1.00000
Te12 Te 0.40448 0.28386 0.47904 1.00000
Te13 Te 0.20052 0.03840 0.64273 1.00000
Te14 Te 0.99997 0.40012 0.39938 1.00000
Te15 Te 0.60611 0.72376 0.52044 1.00000
Te16 Te 0.79586 0.15879 0.56225 1.00000
Te17 Te 0.39530 0.47893 0.67738 1.00000
Te18 Te 0.20021 0.23798 0.84027 1.00000
Te19 Te 0.59979 0.91835 0.72109 1.00000
Te20 Te 0.00100 0.59993 0.59888 1.00000
Te21 Te 0.79961 0.36030 0.75923 1.00000
Te22 Te 0.39701 0.67646 0.87873 1.00000
Te23 Te 0.60116 0.12021 0.91977 1.00000
Te24 Te 0.99658 0.79993 0.80197 1.00000
Te25 Te 0.80117 0.56046 0.95853 1.00000
