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Ho2MgCoAg

Alexandria ALEX

Alex-ID: agm057680418 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Ho2MgCoAg
Alex-ID
agm057680418
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
222.03
ų
Cell a
3.9131
Å
Cell b
7.5917
Å
Cell c
8.0083
Å
α angle
68.95
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2MgCoAg
Ho
4.00 · 40.0%
Mg
2.00 · 20.0%
Co
2.00 · 20.0%
Ag
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2524
eV/atom
Corrected total energy
-43.9771
eV
Raw total energy
-43.9771
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0029
eV
DOS at Fermi level
8.6685
Total magnetisation
0.3937
μB

Additional Information

Prototype ID

ABCD2_28_spg11

Decomposition

Ho2MgCoAg

Computed at

2024-10-16 05:32:52.701611

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: agm057680418).

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 agm057680418
data_agm057680418
_cell_length_a     3.91306
_cell_length_b     7.59175
_cell_length_c     8.00832
_cell_angle_alpha  68.94977
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       222.02664
_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 0.33909 0.90299 1.00000
  Ho2 Ho 0.75000 0.96213 0.72024 1.00000
  Ho3 Ho 0.25000 0.66091 0.09701 1.00000
  Ho4 Ho 0.25000 0.03787 0.27976 1.00000
  Mg1 Mg 0.25000 0.32946 0.57187 1.00000
  Mg2 Mg 0.75000 0.67054 0.42813 1.00000
  Co1 Co 0.25000 0.06882 0.91805 1.00000
  Co2 Co 0.75000 0.93118 0.08195 1.00000
  Ag1 Ag 0.25000 0.66470 0.68745 1.00000
  Ag2 Ag 0.75000 0.33530 0.31255 1.00000
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