Lu11Te4
Alexandria ALEXAlex-ID: agm005284382 · Space group: C2/m (#12)
Basic Information
Formula
Lu11Te4
Alex-ID
agm005284382
Elements
2
Sites
45
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
1,254.23
ų
Cell a
15.4525
Å
Cell b
15.4525
Å
Cell c
21.3078
Å
α angle
77.36
°
β angle
77.36
°
γ angle
14.64
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Lu11Te4
Lu
33.00 · 73.3%
Te
12.00 · 26.7%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-0.6351
eV/atom
Corrected total energy
-215.4724
eV
Raw total energy
-215.4724
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
40.6715
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A4B11_4_spg12
Decomposition
Lu11Te4
Computed at
2023-04-19 21:42:19.299430
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: agm005284382).
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 agm005284382
data_agm005284382
_cell_length_a 15.45254
_cell_length_b 15.45254
_cell_length_c 21.30782
_cell_angle_alpha 77.36235
_cell_angle_beta 77.36235
_cell_angle_gamma 14.63962
_cell_volume 1254.23397
_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
Lu1 Lu 0.74484 0.74484 0.07292 1.00000
Lu2 Lu 0.03272 0.03272 0.16475 1.00000
Lu3 Lu 0.96728 0.96728 0.83525 1.00000
Lu4 Lu 0.17294 0.17294 0.43388 1.00000
Lu5 Lu 0.57469 0.57469 0.03679 1.00000
Lu6 Lu 0.71408 0.71408 0.54531 1.00000
Lu7 Lu 0.39373 0.39373 0.77903 1.00000
Lu8 Lu 0.75776 0.75776 0.34399 1.00000
Lu9 Lu 0.56176 0.56176 0.41367 1.00000
Lu10 Lu 0.53539 0.53539 0.69277 1.00000
Lu11 Lu 0.42531 0.42531 0.96321 1.00000
Lu12 Lu 0.87319 0.87319 0.09290 1.00000
Lu13 Lu 0.13007 0.13007 0.63118 1.00000
Lu14 Lu 0.60627 0.60627 0.22097 1.00000
Lu15 Lu 0.12681 0.12681 0.90710 1.00000
Lu16 Lu 0.82706 0.82706 0.56612 1.00000
Lu17 Lu 0.43824 0.43824 0.58633 1.00000
Lu18 Lu 0.25516 0.25516 0.92708 1.00000
Lu19 Lu 0.96817 0.96817 0.44475 1.00000
Lu20 Lu 0.20384 0.20384 0.21808 1.00000
Lu21 Lu 0.28592 0.28592 0.45469 1.00000
Lu22 Lu 0.86993 0.86993 0.36883 1.00000
Lu23 Lu 0.00000 0.00000 0.00000 1.00000
Lu24 Lu 0.79616 0.79616 0.78192 1.00000
Lu25 Lu 0.46461 0.46461 0.30723 1.00000
Lu26 Lu 0.65888 0.65888 0.74539 1.00000
Lu27 Lu 0.34112 0.34112 0.25461 1.00000
Lu28 Lu 0.54312 0.54312 0.88219 1.00000
Lu29 Lu 0.15077 0.15077 0.09578 1.00000
Lu30 Lu 0.84923 0.84923 0.90422 1.00000
Lu31 Lu 0.45688 0.45688 0.11781 1.00000
Lu32 Lu 0.03183 0.03183 0.55525 1.00000
Lu33 Lu 0.24224 0.24224 0.65601 1.00000
Te1 Te 0.78430 0.78430 0.19368 1.00000
Te2 Te 0.95771 0.95771 0.68954 1.00000
Te3 Te 0.61332 0.61332 0.52627 1.00000
Te4 Te 0.21570 0.21570 0.80632 1.00000
Te5 Te 0.07978 0.07978 0.77475 1.00000
Te6 Te 0.38668 0.38668 0.47373 1.00000
Te7 Te 0.04229 0.04229 0.31046 1.00000
Te8 Te 0.65821 0.65821 0.32811 1.00000
Te9 Te 0.92022 0.92022 0.22525 1.00000
Te10 Te 0.67822 0.67822 0.97957 1.00000
Te11 Te 0.32178 0.32178 0.02043 1.00000
Te12 Te 0.34179 0.34179 0.67189 1.00000
