Navigation

HEAS Data Platform · Materials Science Database

Ho2Er2Tm

Alexandria ALEX

Alex-ID: agm047435582 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Ho2Er2Tm
Alex-ID
agm047435582
Elements
3
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
307.97
ų
Cell a
6.2060
Å
Cell b
5.5416
Å
Cell c
9.4780
Å
α angle
90.00
°
β angle
109.12
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Er2Tm
Ho
4.00 · 40.0%
Er
4.00 · 40.0%
Tm
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0043
eV/atom
Formation energy
-0.0018
eV/atom
Corrected total energy
-45.5268
eV
Raw total energy
-45.5268
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.7388
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_2178_spg14

Decomposition

Er2Tm ErTm2 Ho7Er2

Computed at

2025-02-07 06:12:58

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: agm047435582).

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 agm047435582
data_agm047435582
_cell_length_a     6.20596
_cell_length_b     5.54159
_cell_length_c     9.47805
_cell_angle_alpha  90.00000
_cell_angle_beta   109.12261
_cell_angle_gamma  90.00000
_cell_volume       307.97179
_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 0.96688 0.75000 0.10062 1.00000
  Ho2 Ho 0.03312 0.25000 0.89938 1.00000
  Ho3 Ho 0.36625 0.75000 0.89933 1.00000
  Ho4 Ho 0.63375 0.25000 0.10067 1.00000
  Er1 Er 0.43337 0.25000 0.69930 1.00000
  Er2 Er 0.56663 0.75000 0.30070 1.00000
  Er3 Er 0.83312 0.25000 0.50021 1.00000
  Er4 Er 0.16688 0.75000 0.49979 1.00000
  Tm1 Tm 0.76603 0.75000 0.69924 1.00000
  Tm2 Tm 0.23397 0.25000 0.30076 1.00000
Get direct link