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Nd10Sb3Te7

Alexandria ALEX

Alex-ID: agm008483003 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Nd10Sb3Te7
Alex-ID
agm008483003
Elements
3
Sites
20
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
648.38
ų
Cell a
11.8924
Å
Cell b
11.8924
Å
Cell c
7.8239
Å
α angle
83.74
°
β angle
83.74
°
γ angle
141.60
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Nd10Sb3Te7
Nd
10.00 · 50.0%
Sb
3.00 · 15.0%
Te
7.00 · 35.0%

Energy & Stability

Energy above hull
0.0051
eV/atom
Formation energy
-1.3814
eV/atom
Corrected total energy
-109.7103
eV
Raw total energy
-109.7103
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.0569
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B7C10_4_spg12

Decomposition

Nd4SbTe3 Nd3SbTe2

Computed at

2024-05-05 10:42:28.388095

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: agm008483003).

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
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm008483003
data_agm008483003
_cell_length_a     11.89239
_cell_length_b     11.89239
_cell_length_c     7.82388
_cell_angle_alpha  83.73566
_cell_angle_beta   83.73566
_cell_angle_gamma  141.59984
_cell_volume       648.38173
_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
  Nd1 Nd 0.74563 0.74563 0.74173 1.00000
  Nd2 Nd 0.34979 0.15038 0.74896 1.00000
  Nd3 Nd 0.25437 0.25437 0.25827 1.00000
  Nd4 Nd 0.95114 0.54829 0.76092 1.00000
  Nd5 Nd 0.84962 0.65021 0.25104 1.00000
  Nd6 Nd 0.54829 0.95114 0.76092 1.00000
  Nd7 Nd 0.45171 0.04886 0.23908 1.00000
  Nd8 Nd 0.15038 0.34979 0.74896 1.00000
  Nd9 Nd 0.04886 0.45171 0.23908 1.00000
  Nd10 Nd 0.65021 0.84962 0.25104 1.00000
  Sb1 Sb 0.50000 0.50000 0.50000 1.00000
  Sb2 Sb 0.19854 0.80146 0.00000 1.00000
  Sb3 Sb 0.80146 0.19854 0.00000 1.00000
  Te1 Te 0.89869 0.10131 0.50000 1.00000
  Te2 Te 0.40070 0.59930 0.00000 1.00000
  Te3 Te 0.00000 0.00000 0.00000 1.00000
  Te4 Te 0.59930 0.40070 0.00000 1.00000
  Te5 Te 0.10131 0.89869 0.50000 1.00000
  Te6 Te 0.70036 0.29964 0.50000 1.00000
  Te7 Te 0.29964 0.70036 0.50000 1.00000
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