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Tm4AlNiGe4

Alexandria ALEX

Alex-ID: agm022042007 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Tm4AlNiGe4
Alex-ID
agm022042007
Elements
4
Sites
20
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
397.90
ų
Cell a
9.9925
Å
Cell b
9.9925
Å
Cell c
10.0285
Å
α angle
74.83
°
β angle
74.83
°
γ angle
24.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm4AlNiGe4
Tm
8.00 · 40.0%
Al
2.00 · 10.0%
Ni
2.00 · 10.0%
Ge
8.00 · 40.0%

Energy & Stability

Energy above hull
0.0271
eV/atom
Formation energy
-0.7752
eV/atom
Corrected total energy
-107.2746
eV
Raw total energy
-107.2746
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0470
eV
DOS at Fermi level
11.5510
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

ABC4D4_11_spg12

Decomposition

AlNi TmGe

Computed at

2024-09-25 13:24:45.131292

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: agm022042007).

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 agm022042007
data_agm022042007
_cell_length_a     9.99252
_cell_length_b     9.99252
_cell_length_c     10.02850
_cell_angle_alpha  74.83424
_cell_angle_beta   74.83424
_cell_angle_gamma  24.35645
_cell_volume       397.90394
_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 0.27908 0.27908 0.34974 1.00000
  Tm2 Tm 0.72092 0.72092 0.65026 1.00000
  Tm3 Tm 0.36944 0.36944 0.99394 1.00000
  Tm4 Tm 0.63056 0.63056 0.00606 1.00000
  Tm5 Tm 0.37270 0.37270 0.64190 1.00000
  Tm6 Tm 0.62730 0.62730 0.35810 1.00000
  Tm7 Tm 0.53951 0.53951 0.72767 1.00000
  Tm8 Tm 0.46049 0.46049 0.27233 1.00000
  Al1 Al 0.00000 0.00000 0.50000 1.00000
  Al2 Al 0.00000 0.00000 0.00000 1.00000
  Ni1 Ni 0.23943 0.23943 0.87498 1.00000
  Ni2 Ni 0.76057 0.76057 0.12502 1.00000
  Ge1 Ge 0.06321 0.06321 0.21652 1.00000
  Ge2 Ge 0.93679 0.93679 0.78348 1.00000
  Ge3 Ge 0.12894 0.12894 0.81251 1.00000
  Ge4 Ge 0.87106 0.87106 0.18749 1.00000
  Ge5 Ge 0.13821 0.13821 0.54682 1.00000
  Ge6 Ge 0.86179 0.86179 0.45318 1.00000
  Ge7 Ge 0.79829 0.79829 0.86167 1.00000
  Ge8 Ge 0.20171 0.20171 0.13833 1.00000
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