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ErTm7

Alexandria ALEX

Alex-ID: agm017406786 · Space group: C2/m (#12)

Basic Information

Formula
ErTm7
Alex-ID
agm017406786
Elements
2
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
238.93
ų
Cell a
11.8037
Å
Cell b
11.8037
Å
Cell c
6.0596
Å
α angle
75.14
°
β angle
104.86
°
γ angle
162.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
ErTm7
Er
1.00 · 12.5%
Tm
7.00 · 87.5%

Energy & Stability

Energy above hull
0.0141
eV/atom
Formation energy
0.0050
eV/atom
Corrected total energy
-35.8233
eV
Raw total energy
-35.8233
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0079
eV
DOS at Fermi level
10.5158
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7_13_spg71

Decomposition

ErTm15 ErTm5

Computed at

2025-06-30 23:47:34

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: agm017406786).

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 agm017406786
data_agm017406786
_cell_length_a     11.80369
_cell_length_b     11.80369
_cell_length_c     6.05964
_cell_angle_alpha  75.13952
_cell_angle_beta   104.86048
_cell_angle_gamma  162.96081
_cell_volume       238.92957
_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
  Er1 Er 0.00000 0.00000 0.50000 1.00000
  Tm1 Tm 0.50000 0.50000 0.00000 1.00000
  Tm2 Tm 0.62512 0.37488 0.45924 1.00000
  Tm3 Tm 0.37488 0.62512 0.54076 1.00000
  Tm4 Tm 0.87492 0.12508 0.04058 1.00000
  Tm5 Tm 0.12508 0.87492 0.95942 1.00000
  Tm6 Tm 0.74991 0.25009 0.24989 1.00000
  Tm7 Tm 0.25009 0.74991 0.75011 1.00000
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