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Ho2BeGeC

Alexandria ALEX

Alex-ID: agm005000686 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Ho2BeGeC
Alex-ID
agm005000686
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
177.79
ų
Cell a
3.7199
Å
Cell b
6.3300
Å
Cell c
7.9365
Å
α angle
107.94
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2BeGeC
Ho
4.00 · 40.0%
Be
2.00 · 20.0%
Ge
2.00 · 20.0%
C
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5908
eV/atom
Corrected total energy
-59.3570
eV
Raw total energy
-59.3570
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0885
eV
DOS at Fermi level
2.5793
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_1570_spg11

Decomposition

Ho2BeGeC

Computed at

2022-07-03 22:48:48.917790

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: agm005000686).

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 agm005000686
data_agm005000686
_cell_length_a     3.71989
_cell_length_b     6.32997
_cell_length_c     7.93654
_cell_angle_alpha  107.94463
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       177.78929
_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 0.75000 0.80060 0.61430 1.00000
  Ho2 Ho 0.75000 0.78525 0.03373 1.00000
  Ho3 Ho 0.25000 0.19940 0.38570 1.00000
  Ho4 Ho 0.25000 0.21475 0.96627 1.00000
  Be1 Be 0.25000 0.54611 0.75397 1.00000
  Be2 Be 0.75000 0.45389 0.24603 1.00000
  Ge1 Ge 0.25000 0.67671 0.29962 1.00000
  Ge2 Ge 0.75000 0.32329 0.70038 1.00000
  C1 C 0.25000 0.82560 0.82636 1.00000
  C2 C 0.75000 0.17440 0.17364 1.00000
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