Tb4Er11Tm9

Alexandria ALEX

Alex-ID: agm005752518 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula

Tb4Er11Tm9

Alex-ID

agm005752518

Elements

Sites

Space group

Cmmm (#65)

Crystal system

orthorhombic

Volume

735.45

Å³

Cell a

3.6149

Cell b

14.8602

Cell c

14.8602

α angle

112.88

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Tb4Er11Tm9

4.00 · 16.7%

11.00 · 45.8%

9.00 · 37.5%

Energy & Stability

Energy above hull

0.0618

eV/atom

Formation energy

0.0535

eV/atom

Corrected total energy

-107.6805

Raw total energy

-107.6805

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0032

DOS at Fermi level

29.9567

Total magnetisation

0.3626

μB

Additional Information

Prototype ID

A4B9C11_1_spg65

Decomposition

Er2Tm ErTm2 Tb3(Er2Tm)2

Computed at

2023-07-11 08:52:56.078993

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: agm005752518).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm005752518
data_agm005752518
_cell_length_a     3.61494
_cell_length_b     14.86015
_cell_length_c     14.86015
_cell_angle_alpha  112.88194
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       735.44840
_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
  Tb1 Tb 0.50000 0.55394 0.75564 1.00000
  Tb2 Tb 0.50000 0.44606 0.24436 1.00000
  Tb3 Tb 0.50000 0.75564 0.55394 1.00000
  Tb4 Tb 0.50000 0.24436 0.44606 1.00000
  Er1 Er 0.00000 0.59333 0.95573 1.00000
  Er2 Er 0.00000 0.40667 0.04427 1.00000
  Er3 Er 0.00000 0.95573 0.59333 1.00000
  Er4 Er 0.00000 0.04427 0.40667 1.00000
  Er5 Er 0.00000 0.63362 0.36638 1.00000
  Er6 Er 0.00000 0.36638 0.63362 1.00000
  Er7 Er 0.00000 0.84058 0.15942 1.00000
  Er8 Er 0.00000 0.15942 0.84058 1.00000
  Er9 Er 0.00000 0.00000 0.00000 1.00000
  Er10 Er 0.00000 0.70928 0.70928 1.00000
  Er11 Er 0.00000 0.29072 0.29072 1.00000
  Tm1 Tm 0.50000 0.63250 0.16369 1.00000
  Tm2 Tm 0.50000 0.36750 0.83631 1.00000
  Tm3 Tm 0.50000 0.16369 0.63250 1.00000
  Tm4 Tm 0.50000 0.83631 0.36750 1.00000
  Tm5 Tm 0.50000 0.78674 0.93182 1.00000
  Tm6 Tm 0.50000 0.21326 0.06818 1.00000
  Tm7 Tm 0.50000 0.93182 0.78674 1.00000
  Tm8 Tm 0.50000 0.06818 0.21326 1.00000
  Tm9 Tm 0.50000 0.50000 0.50000 1.00000

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