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Ho(ErTm2)4

Alexandria ALEX

Alex-ID: agm097721035 · Space group: Pm (#6)

Basic Information

Formula
Ho(ErTm2)4
Alex-ID
agm097721035
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
393.28
ų
Cell a
3.4894
Å
Cell b
10.9806
Å
Cell c
11.4065
Å
α angle
64.14
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(ErTm2)4
Ho
1.00 · 7.7%
Er
4.00 · 30.8%
Tm
8.00 · 61.5%

Energy & Stability

Energy above hull
0.0441
eV/atom
Formation energy
0.0344
eV/atom
Corrected total energy
-58.1546
eV
Raw total energy
-58.1546
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.0077
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1756_spg8

Decomposition

ErTm2 ErTm5 Ho7Er2

Computed at

2025-06-16 02:21:42

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: agm097721035).

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 agm097721035
data_agm097721035
_cell_length_a     3.48936
_cell_length_b     10.98059
_cell_length_c     11.40645
_cell_angle_alpha  64.14084
_cell_angle_beta   89.99948
_cell_angle_gamma  89.99794
_cell_volume       393.27946
_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 0.61533 0.05124 0.85227 1.00000
  Er1 Er 0.11545 0.87650 0.14943 1.00000
  Er2 Er 0.11542 0.46487 0.99809 1.00000
  Er3 Er 0.11543 0.61507 0.46199 1.00000
  Er4 Er 0.11518 0.99146 0.61690 1.00000
  Tm1 Tm 0.61554 0.17981 0.07065 1.00000
  Tm2 Tm 0.61546 0.56224 0.21078 1.00000
  Tm3 Tm 0.61538 0.66820 0.71257 1.00000
  Tm4 Tm 0.61535 0.30501 0.53600 1.00000
  Tm5 Tm 0.61523 0.92635 0.38660 1.00000
  Tm6 Tm 0.11539 0.23903 0.30509 1.00000
  Tm7 Tm 0.11534 0.35462 0.77430 1.00000
  Tm8 Tm 0.11549 0.76560 0.92533 1.00000
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