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Ho4Tm3Bi4

Alexandria ALEX

Alex-ID: agm003379918 · Space group: Amm2 (#38)

Basic Information

Formula
Ho4Tm3Bi4
Alex-ID
agm003379918
Elements
3
Sites
11
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
333.10
ų
Cell a
4.3541
Å
Cell b
8.0128
Å
Cell c
9.9208
Å
α angle
90.00
°
β angle
90.00
°
γ angle
105.77
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4Tm3Bi4
Ho
4.00 · 36.4%
Tm
3.00 · 27.3%
Bi
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1865
eV/atom
Formation energy
-0.4442
eV/atom
Corrected total energy
-52.1383
eV
Raw total energy
-52.1383
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0023
eV
DOS at Fermi level
8.9835
Total magnetisation
1.9153
μB

Additional Information

Prototype ID

A3B4C4_59_spg38

Decomposition

HoTm17 Tm5Bi3 Ho5Bi3

Computed at

2022-02-09 03:14:21.336267

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: agm003379918).

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 agm003379918
data_agm003379918
_cell_length_a     4.35407
_cell_length_b     8.01281
_cell_length_c     9.92076
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  105.76512
_cell_volume       333.09880
_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 0.60590 0.21180 0.50000 1.00000
  Ho2 Ho 0.58188 0.16376 0.00000 1.00000
  Ho3 Ho 0.09003 0.18006 0.75273 1.00000
  Ho4 Ho 0.09003 0.18006 0.24727 1.00000
  Tm1 Tm 0.40404 0.80808 0.27080 1.00000
  Tm2 Tm 0.40404 0.80808 0.72920 1.00000
  Tm3 Tm 0.26135 0.52269 0.00000 1.00000
  Bi1 Bi 0.74268 0.48537 0.75505 1.00000
  Bi2 Bi 0.74268 0.48537 0.24495 1.00000
  Bi3 Bi 0.94778 0.89555 0.50000 1.00000
  Bi4 Bi 0.92808 0.85617 0.00000 1.00000
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