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Pm8TeC4

Alexandria ALEX

Alex-ID: agm097745658 · Space group: Cm (#8)

Basic Information

Formula
Pm8TeC4
Alex-ID
agm097745658
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
326.70
ų
Cell a
3.7319
Å
Cell b
10.3074
Å
Cell c
11.1386
Å
α angle
126.01
°
β angle
109.47
°
γ angle
79.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8TeC4
Pm
8.00 · 61.5%
Te
1.00 · 7.7%
C
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1443
eV/atom
Formation energy
-0.2151
eV/atom
Corrected total energy
-80.8380
eV
Raw total energy
-80.8380
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1105
eV
DOS at Fermi level
8.2929
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_196_spg12

Decomposition

Pm3TeC Pm2C3 Pm2C

Computed at

2025-06-12 14:18:36

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: agm097745658).

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 agm097745658
data_agm097745658
_cell_length_a     3.73194
_cell_length_b     10.30742
_cell_length_c     11.13855
_cell_angle_alpha  126.01030
_cell_angle_beta   109.47169
_cell_angle_gamma  79.61910
_cell_volume       326.69608
_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 0.98058 0.62506 0.13953 1.00000
  Pm2 Pm 0.09636 0.23895 0.06338 1.00000
  Pm3 Pm 0.45776 0.29986 0.45205 1.00000
  Pm4 Pm 0.41999 0.91879 0.72602 1.00000
  Pm5 Pm 0.64515 0.01841 0.49940 1.00000
  Pm6 Pm 0.77939 0.58554 0.41792 1.00000
  Pm7 Pm 0.11568 0.65768 0.79122 1.00000
  Pm8 Pm 0.31749 0.31244 0.81961 1.00000
  Te1 Te 0.72825 0.96555 0.05881 1.00000
  C1 C 0.87150 0.11682 0.77634 1.00000
  C2 C 0.54713 0.45273 0.12030 1.00000
  C3 C 0.45270 0.60123 0.59923 1.00000
  C4 C 0.08802 0.20695 0.53620 1.00000
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