Ho23Te25
Alexandria ALEXAlex-ID: agm007756437 · Space group: P1 (#1)
Basic Information
Formula
Ho23Te25
Alex-ID
agm007756437
Elements
2
Sites
48
Space group
P1 (#1)
Crystal system
triclinic
Volume
1,461.02
ų
Cell a
8.9934
Å
Cell b
9.1309
Å
Cell c
18.3557
Å
α angle
89.71
°
β angle
99.50
°
γ angle
100.55
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Ho23Te25
Ho
23.00 · 47.9%
Te
25.00 · 52.1%
Energy & Stability
Energy above hull
0.0659
eV/atom
Formation energy
-1.2531
eV/atom
Corrected total energy
-243.9984
eV
Raw total energy
-243.9984
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
23.7057
Total magnetisation
13.7317
μB
Additional Information
Prototype ID
A23B25_0_spg1
Decomposition
Ho5Te6 HoTe
Computed at
2024-06-28 00:18:19.606411
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: agm007756437).
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 agm007756437
data_agm007756437
_cell_length_a 8.99340
_cell_length_b 9.13090
_cell_length_c 18.35568
_cell_angle_alpha 89.70762
_cell_angle_beta 99.50157
_cell_angle_gamma 100.55132
_cell_volume 1461.02168
_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
Ho1 Ho 0.06419 0.71608 0.07877 1.00000
Ho2 Ho 0.26632 0.15139 0.11914 1.00000
Ho3 Ho 0.05913 0.90580 0.27985 1.00000
Ho4 Ho 0.46976 0.59662 0.16290 1.00000
Ho5 Ho 0.87177 0.28007 0.03586 1.00000
Ho6 Ho 0.26652 0.35949 0.32080 1.00000
Ho7 Ho 0.66207 0.02772 0.20407 1.00000
Ho8 Ho 0.46633 0.79268 0.35966 1.00000
Ho9 Ho 0.86735 0.47608 0.24082 1.00000
Ho10 Ho 0.27104 0.55945 0.51490 1.00000
Ho11 Ho 0.66870 0.23108 0.40178 1.00000
Ho12 Ho 0.06306 0.30761 0.68127 1.00000
Ho13 Ho 0.46383 0.99655 0.56011 1.00000
Ho14 Ho 0.87113 0.67137 0.43600 1.00000
Ho15 Ho 0.66569 0.43157 0.59873 1.00000
Ho16 Ho 0.26482 0.75303 0.72174 1.00000
Ho17 Ho 0.46616 0.19336 0.76103 1.00000
Ho18 Ho 0.86916 0.87709 0.64375 1.00000
Ho19 Ho 0.06647 0.51178 0.88007 1.00000
Ho20 Ho 0.27062 0.95167 0.92235 1.00000
Ho21 Ho 0.65994 0.62514 0.79934 1.00000
Ho22 Ho 0.86809 0.07989 0.84105 1.00000
Ho23 Ho 0.47105 0.39088 0.95580 1.00000
Te1 Te 0.20766 0.44310 0.04028 1.00000
Te2 Te 0.39760 0.87958 0.08235 1.00000
Te3 Te 0.19944 0.64042 0.23866 1.00000
Te4 Te 0.60152 0.31932 0.11908 1.00000
Te5 Te 0.00436 0.00421 0.99939 1.00000
Te6 Te 0.39414 0.08141 0.28116 1.00000
Te7 Te 0.79922 0.75967 0.15973 1.00000
Te8 Te 0.20185 0.84187 0.43914 1.00000
Te9 Te 0.59982 0.51749 0.32061 1.00000
Te10 Te 0.99785 0.19857 0.19960 1.00000
Te11 Te 0.79805 0.95815 0.36041 1.00000
Te12 Te 0.40342 0.28329 0.47914 1.00000
Te13 Te 0.20075 0.03839 0.64244 1.00000
Te14 Te 0.99978 0.39923 0.39951 1.00000
Te15 Te 0.60710 0.72391 0.52046 1.00000
Te16 Te 0.79672 0.15879 0.56192 1.00000
Te17 Te 0.39483 0.47861 0.67711 1.00000
Te18 Te 0.20009 0.23811 0.84025 1.00000
Te19 Te 0.59994 0.91817 0.72136 1.00000
Te20 Te 0.00105 0.59994 0.59877 1.00000
Te21 Te 0.79950 0.36040 0.75916 1.00000
Te22 Te 0.39714 0.67695 0.87900 1.00000
Te23 Te 0.60102 0.11936 0.91988 1.00000
Te24 Te 0.99600 0.79991 0.80214 1.00000
Te25 Te 0.80128 0.56144 0.95865 1.00000
