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Y2Tm7

Alexandria ALEX

Alex-ID: agm009017759 · Space group: C2/m (#12)

Basic Information

Formula
Y2Tm7
Alex-ID
agm009017759
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
274.88
ų
Cell a
9.3852
Å
Cell b
9.3852
Å
Cell c
9.3717
Å
α angle
64.53
°
β angle
115.47
°
γ angle
158.26
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y2Tm7
Y
2.00 · 22.2%
Tm
7.00 · 77.8%

Energy & Stability

Energy above hull
0.0088
eV/atom
Formation energy
0.0023
eV/atom
Corrected total energy
-44.2056
eV
Raw total energy
-44.2056
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.8172
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_131_spg2

Decomposition

YTm7 YTm2

Computed at

2025-04-01 22:54:46

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: agm009017759).

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 agm009017759
data_agm009017759
_cell_length_a     9.38516
_cell_length_b     9.38516
_cell_length_c     9.37170
_cell_angle_alpha  64.52600
_cell_angle_beta   115.47400
_cell_angle_gamma  158.25875
_cell_volume       274.88277
_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
  Y1 Y 0.51950 0.48050 0.83463 1.00000
  Y2 Y 0.48050 0.51950 0.16537 1.00000
  Tm1 Tm 0.18608 0.81392 0.83451 1.00000
  Tm2 Tm 0.81392 0.18608 0.16549 1.00000
  Tm3 Tm 0.33296 0.66704 0.49869 1.00000
  Tm4 Tm 0.66704 0.33296 0.50131 1.00000
  Tm5 Tm 0.14945 0.85055 0.16833 1.00000
  Tm6 Tm 0.85055 0.14945 0.83167 1.00000
  Tm7 Tm 0.00000 0.00000 0.50000 1.00000
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