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Pm(HoTe3)2

Alexandria ALEX

Alex-ID: agm097424904 · Space group: P1 (#1)

Basic Information

Formula
Pm(HoTe3)2
Alex-ID
agm097424904
Elements
3
Sites
9
Space group
P1 (#1)
Crystal system
triclinic
Volume
325.36
ų
Cell a
5.9602
Å
Cell b
5.9570
Å
Cell c
9.3291
Å
α angle
92.31
°
β angle
84.06
°
γ angle
98.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm(HoTe3)2
Pm
1.00 · 11.1%
Ho
2.00 · 22.2%
Te
6.00 · 66.7%

Energy & Stability

Energy above hull
0.1897
eV/atom
Formation energy
-1.0247
eV/atom
Corrected total energy
-41.9797
eV
Raw total energy
-41.9797
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.5362
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_2275_spg2

Decomposition

PmTe3 Ho2Te3

Computed at

2025-04-07 07:36:13

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: agm097424904).

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 agm097424904
data_agm097424904
_cell_length_a     5.96023
_cell_length_b     5.95703
_cell_length_c     9.32907
_cell_angle_alpha  92.30804
_cell_angle_beta   84.06211
_cell_angle_gamma  98.92722
_cell_volume       325.36404
_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
  Pm1 Pm 0.48815 0.31868 0.75539 1.00000
  Ho1 Ho 0.90946 0.38803 0.14876 1.00000
  Ho2 Ho 0.93578 0.90852 0.54870 1.00000
  Te1 Te 0.45613 0.53868 0.07739 1.00000
  Te2 Te 0.84949 0.39000 0.47637 1.00000
  Te3 Te 0.41363 0.81144 0.62717 1.00000
  Te4 Te 0.48307 0.04227 0.05972 1.00000
  Te5 Te 0.95405 0.19067 0.83664 1.00000
  Te6 Te 0.01024 0.91172 0.21986 1.00000
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