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Ac(NdHo4)2

Alexandria ALEX

Alex-ID: agm005993400 · Space group: Immm (#71)

Basic Information

Formula
Ac(NdHo4)2
Alex-ID
agm005993400
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
369.72
ų
Cell a
5.5270
Å
Cell b
8.2375
Å
Cell c
9.5155
Å
α angle
115.65
°
β angle
106.88
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac(NdHo4)2
Ac
1.00 · 9.1%
Nd
2.00 · 18.2%
Ho
8.00 · 72.7%

Energy & Stability

Energy above hull
0.1394
eV/atom
Formation energy
0.1362
eV/atom
Corrected total energy
-48.7829
eV
Raw total energy
-48.7829
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.0575
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Nd2Ho7 Ac Ho

Computed at

2023-09-27 14:04:34

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: agm005993400).

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 agm005993400
data_agm005993400
_cell_length_a     5.52700
_cell_length_b     8.23745
_cell_length_c     9.51546
_cell_angle_alpha  115.64792
_cell_angle_beta   106.88321
_cell_angle_gamma  90.00000
_cell_volume       369.71645
_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
  Ac1 Ac 0.50000 0.00000 0.00000 1.00000
  Nd1 Nd 0.19925 0.69924 0.39850 1.00000
  Nd2 Nd 0.80075 0.30076 0.60150 1.00000
  Ho1 Ho 0.64418 0.84894 0.28835 1.00000
  Ho2 Ho 0.35583 0.56059 0.71166 1.00000
  Ho3 Ho 0.16107 0.16108 0.32214 1.00000
  Ho4 Ho 1.00000 0.29641 0.99999 1.00000
  Ho5 Ho 0.83893 0.83892 0.67786 1.00000
  Ho6 Ho 0.64417 0.43941 0.28834 1.00000
  Ho7 Ho 0.35582 0.15106 0.71165 1.00000
  Ho8 Ho 0.00000 0.70359 0.00001 1.00000
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