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Tm2CdPb4

Alexandria ALEX

Alex-ID: agm096704752 · Space group: Pm (#6)

Basic Information

Formula
Tm2CdPb4
Alex-ID
agm096704752
Elements
3
Sites
7
Space group
Pm (#6)
Crystal system
monoclinic
Volume
208.37
ų
Cell a
3.5389
Å
Cell b
5.2883
Å
Cell c
11.1865
Å
α angle
95.56
°
β angle
89.97
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm2CdPb4
Tm
2.00 · 28.6%
Cd
1.00 · 14.3%
Pb
4.00 · 57.1%

Energy & Stability

Energy above hull
0.1272
eV/atom
Formation energy
-0.1523
eV/atom
Corrected total energy
-25.7657
eV
Raw total energy
-25.7657
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0738
eV
DOS at Fermi level
3.7345
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6200_spg44

Decomposition

Tm2CdPb3 Pb

Computed at

2025-04-10 16:11:51

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: agm096704752).

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 agm096704752
data_agm096704752
_cell_length_a     3.53892
_cell_length_b     5.28834
_cell_length_c     11.18647
_cell_angle_alpha  95.55739
_cell_angle_beta   89.97498
_cell_angle_gamma  89.99227
_cell_volume       208.37085
_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
  Tm1 Tm 0.07197 0.05523 0.14572 1.00000
  Tm2 Tm 0.07070 0.69731 0.40930 1.00000
  Cd1 Cd 0.57314 0.86297 0.92001 1.00000
  Pb1 Pb 0.07184 0.32216 0.81738 1.00000
  Pb2 Pb 0.57067 0.20253 0.40941 1.00000
  Pb3 Pb 0.57014 0.81363 0.65158 1.00000
  Pb4 Pb 0.57155 0.54618 0.14660 1.00000
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