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Ho(ErTm)4

Alexandria ALEX

Alex-ID: agm003597136 · Space group: I4/mmm (#139)

Basic Information

Formula
Ho(ErTm)4
Alex-ID
agm003597136
Elements
3
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
271.05
ų
Cell a
4.9309
Å
Cell b
7.8134
Å
Cell c
7.8134
Å
α angle
84.29
°
β angle
71.61
°
γ angle
71.61
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(ErTm)4
Ho
1.00 · 11.1%
Er
4.00 · 44.4%
Tm
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0338
eV/atom
Formation energy
0.0250
eV/atom
Corrected total energy
-40.4906
eV
Raw total energy
-40.4905
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.1417
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C4_201_spg139

Decomposition

Er2Tm ErTm2 Ho7Er2

Computed at

2022-04-04 20:42:51.960784

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: agm003597136).

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 agm003597136
data_agm003597136
_cell_length_a     4.93092
_cell_length_b     7.81336
_cell_length_c     7.81336
_cell_angle_alpha  84.28571
_cell_angle_beta   71.60635
_cell_angle_gamma  71.60635
_cell_volume       271.05294
_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
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Er1 Er 0.66684 0.66629 0.00003 1.00000
  Er2 Er 0.33316 0.33371 0.99997 1.00000
  Er3 Er 0.66687 0.99997 0.66629 1.00000
  Er4 Er 0.33313 0.00003 0.33371 1.00000
  Tm1 Tm 0.66626 0.33372 0.33376 1.00000
  Tm2 Tm 0.33374 0.66628 0.66624 1.00000
  Tm3 Tm 0.00002 0.66624 0.33372 1.00000
  Tm4 Tm 0.99998 0.33376 0.66628 1.00000
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