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HoTm4Co

Alexandria ALEX

Alex-ID: agm003756194 · Space group: Immm (#71)

Basic Information

Formula
HoTm4Co
Alex-ID
agm003756194
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
324.52
ų
Cell a
5.7111
Å
Cell b
7.2278
Å
Cell c
9.1110
Å
α angle
113.37
°
β angle
108.25
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoTm4Co
Ho
2.00 · 16.7%
Tm
8.00 · 66.7%
Co
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0768
eV/atom
Formation energy
-0.0557
eV/atom
Corrected total energy
-59.8451
eV
Raw total energy
-59.8451
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0017
eV
DOS at Fermi level
15.4377
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

ABC4_1120_spg12

Decomposition

HoTm2 Ho7Tm2 Tm3Co

Computed at

2022-04-21 18:17:19.447788

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: agm003756194).

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 agm003756194
data_agm003756194
_cell_length_a     5.71111
_cell_length_b     7.22783
_cell_length_c     9.11097
_cell_angle_alpha  113.36924
_cell_angle_beta   108.25420
_cell_angle_gamma  90.00000
_cell_volume       324.51893
_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 0.80319 0.80302 0.60605 1.00000
  Ho2 Ho 0.19681 0.19698 0.39395 1.00000
  Tm1 Tm 0.17278 0.67268 0.34536 1.00000
  Tm2 Tm 0.38130 0.12761 0.76243 1.00000
  Tm3 Tm 1.00000 0.22478 1.00000 1.00000
  Tm4 Tm 0.61870 0.36518 0.23757 1.00000
  Tm5 Tm 0.82722 0.32732 0.65464 1.00000
  Tm6 Tm 0.61870 0.87239 0.23757 1.00000
  Tm7 Tm 0.00000 0.77522 0.00000 1.00000
  Tm8 Tm 0.38130 0.63482 0.76243 1.00000
  Co1 Co 0.30057 0.50009 0.00019 1.00000
  Co2 Co 0.69943 0.49991 0.99981 1.00000
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