Ho(Er6Tm)2

Alexandria ALEX

Alex-ID: agm005808666 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula

Ho(Er6Tm)2

Alex-ID

agm005808666

Elements

Sites

Space group

Cmmm (#65)

Crystal system

orthorhombic

Volume

921.20

Å³

Cell a

6.6318

Cell b

6.6318

Cell c

24.7261

α angle

101.24

β angle

78.76

γ angle

65.30

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ho(Er6Tm)2

2.00 · 6.7%

24.00 · 80.0%

4.00 · 13.3%

Energy & Stability

Energy above hull

0.0835

eV/atom

Formation energy

0.0761

eV/atom

Corrected total energy

-134.2687

Raw total energy

-134.2686

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0016

DOS at Fermi level

49.6745

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

AB2C12_80_spg65

Decomposition

Er5Tm Ho7Er2 HoEr5

Computed at

2023-07-17 07:24:21.184344

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: agm005808666).

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 agm005808666
data_agm005808666
_cell_length_a     6.63176
_cell_length_b     6.63176
_cell_length_c     24.72607
_cell_angle_alpha  101.24383
_cell_angle_beta   78.75616
_cell_angle_gamma  65.30141
_cell_volume       921.19668
_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 0.50000 1.00000 1.00000 1.00000
  Ho2 Ho 1.00000 0.50000 0.00000 1.00000
  Er1 Er 0.49141 0.50858 0.80684 1.00000
  Er2 Er 0.99142 0.00859 0.80684 1.00000
  Er3 Er 0.93417 0.56583 0.85270 1.00000
  Er4 Er 0.08284 0.91717 0.93324 1.00000
  Er5 Er 0.09745 0.90255 0.32190 1.00000
  Er6 Er 0.41716 0.58283 0.06676 1.00000
  Er7 Er 0.80329 0.19669 0.55744 1.00000
  Er8 Er 0.59745 0.40255 0.32190 1.00000
  Er9 Er 0.43418 0.06582 0.85269 1.00000
  Er10 Er 0.56583 0.93417 0.14730 1.00000
  Er11 Er 0.28043 0.21957 0.57579 1.00000
  Er12 Er 0.69671 0.30331 0.44256 1.00000
  Er13 Er 0.90255 0.09745 0.67810 1.00000
  Er14 Er 0.21957 0.28043 0.42421 1.00000
  Er15 Er 0.06582 0.43418 0.14731 1.00000
  Er16 Er 0.71953 0.78047 0.42422 1.00000
  Er17 Er 0.78047 0.71953 0.57578 1.00000
  Er18 Er 0.00859 0.99142 0.19316 1.00000
  Er19 Er 0.30331 0.69671 0.55744 1.00000
  Er20 Er 0.40255 0.59745 0.67810 1.00000
  Er21 Er 0.58283 0.41716 0.93324 1.00000
  Er22 Er 0.50858 0.49141 0.19316 1.00000
  Er23 Er 0.19669 0.80329 0.44256 1.00000
  Er24 Er 0.91717 0.08284 0.06676 1.00000
  Tm1 Tm 0.64400 0.85600 0.28470 1.00000
  Tm2 Tm 0.14399 0.35601 0.28470 1.00000
  Tm3 Tm 0.85600 0.64400 0.71530 1.00000
  Tm4 Tm 0.35601 0.14399 0.71530 1.00000

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