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HoMnB14

Alexandria ALEX

Alex-ID: agm005754907 · Space group: Imma (#74)

Basic Information

Formula
HoMnB14
Alex-ID
agm005754907
Elements
3
Sites
32
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
257.24
ų
Cell a
5.8538
Å
Cell b
7.3494
Å
Cell c
7.3494
Å
α angle
68.08
°
β angle
66.53
°
γ angle
66.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoMnB14
Ho
2.00 · 6.3%
Mn
2.00 · 6.3%
B
28.00 · 87.5%

Energy & Stability

Energy above hull
0.1110
eV/atom
Formation energy
-0.1705
eV/atom
Corrected total energy
-219.9193
eV
Raw total energy
-219.9193
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0228
eV
DOS at Fermi level
6.4438
Total magnetisation
7.4321
μB

Additional Information

Prototype ID

ABC14_1_spg74

Decomposition

HoB12 MnB4 HoB4

Computed at

2023-07-18 14:05:02.584809

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: agm005754907).

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 agm005754907
data_agm005754907
_cell_length_a     5.85377
_cell_length_b     7.34944
_cell_length_c     7.34944
_cell_angle_alpha  68.08237
_cell_angle_beta   66.53144
_cell_angle_gamma  66.53144
_cell_volume       257.23516
_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 0.25000 0.37793 0.12207 1.00000
  Ho2 Ho 0.75000 0.62207 0.87793 1.00000
  Mn1 Mn 0.50000 0.00000 0.50000 1.00000
  Mn2 Mn 0.00000 0.00000 0.50000 1.00000
  B1 B 0.66692 0.36473 0.30144 1.00000
  B2 B 0.33308 0.63527 0.69856 1.00000
  B3 B 0.16692 0.80144 0.86473 1.00000
  B4 B 0.83308 0.19856 0.13527 1.00000
  B5 B 0.13026 0.24051 0.49897 1.00000
  B6 B 0.86974 0.75949 0.50103 1.00000
  B7 B 0.63026 0.99897 0.74051 1.00000
  B8 B 0.36974 0.00103 0.25949 1.00000
  B9 B 0.08447 0.08610 0.74496 1.00000
  B10 B 0.91553 0.91390 0.25504 1.00000
  B11 B 0.58447 0.24496 0.58610 1.00000
  B12 B 0.41553 0.75504 0.41390 1.00000
  B13 B 0.72193 0.59944 0.27634 1.00000
  B14 B 0.59771 0.40056 0.72366 1.00000
  B15 B 0.22193 0.77634 0.09944 1.00000
  B16 B 0.09771 0.22366 0.90056 1.00000
  B17 B 0.27807 0.40056 0.72366 1.00000
  B18 B 0.40229 0.59944 0.27634 1.00000
  B19 B 0.77807 0.22366 0.90056 1.00000
  B20 B 0.90229 0.77634 0.09944 1.00000
  B21 B 0.32620 0.96891 0.87485 1.00000
  B22 B 0.16996 0.03109 0.12515 1.00000
  B23 B 0.82620 0.37485 0.46891 1.00000
  B24 B 0.66996 0.62515 0.53109 1.00000
  B25 B 0.67380 0.03109 0.12515 1.00000
  B26 B 0.83004 0.96891 0.87485 1.00000
  B27 B 0.17380 0.62515 0.53109 1.00000
  B28 B 0.33004 0.37485 0.46891 1.00000
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