HoNpMn2(Al8Zn3)2

Alexandria ALEX

Alex-ID: agm010474282 · Space group: Cm (#8)

Alexandria Database API

Basic Information

Formula

HoNpMn2(Al8Zn3)2

Alex-ID

agm010474282

Elements

Sites

Space group

Cm (#8)

Crystal system

monoclinic

Volume

436.93

Å³

Cell a

6.9320

Cell b

6.9320

Cell c

12.8097

α angle

89.11

β angle

89.11

γ angle

45.23

Composition

Element Composition (atomic fraction)

Composition Info

Formula

HoNpMn2(Al8Zn3)2

1.00 · 3.8%

2.00 · 7.7%

16.00 · 61.5%

6.00 · 23.1%

Energy & Stability

Energy above hull

0.1572

eV/atom

Formation energy

-0.0382

eV/atom

Corrected total energy

-104.4486

Raw total energy

-104.4486

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0017

DOS at Fermi level

19.0275

Total magnetisation

8.9653

μB

Additional Information

Prototype ID

ABC2D6E16_0_spg8

Decomposition

Ho(AlZn)2 Ho2Zn17 MnAl6 NpAl3 Al3Zn4

Computed at

2024-06-24 11:54:46.676975

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: agm010474282).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm010474282
data_agm010474282
_cell_length_a     6.93205
_cell_length_b     6.93205
_cell_length_c     12.80968
_cell_angle_alpha  89.10696
_cell_angle_beta   89.10696
_cell_angle_gamma  45.22824
_cell_volume       436.92569
_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 0.50083 0.50083 0.50044 1.00000
  Np1 Np 0.99854 0.99854 0.99929 1.00000
  Mn1 Mn 0.67319 0.67319 0.67279 1.00000
  Mn2 Mn 0.17428 0.17428 0.17454 1.00000
  Al1 Al 0.61682 0.61682 0.88217 1.00000
  Al2 Al 0.11834 0.11834 0.38159 1.00000
  Al3 Al 0.88104 0.88104 0.61800 1.00000
  Al4 Al 0.38244 0.38244 0.11723 1.00000
  Al5 Al 0.10499 0.10499 0.60479 1.00000
  Al6 Al 0.60177 0.60177 0.10185 1.00000
  Al7 Al 0.39908 0.39908 0.89910 1.00000
  Al8 Al 0.89980 0.89980 0.39981 1.00000
  Al9 Al 0.75056 0.25660 0.74821 1.00000
  Al10 Al 0.24903 0.75821 0.24744 1.00000
  Al11 Al 0.25660 0.75056 0.74821 1.00000
  Al12 Al 0.75821 0.24903 0.24744 1.00000
  Al13 Al 0.50179 0.99364 0.50329 1.00000
  Al14 Al 0.00140 0.49455 0.00370 1.00000
  Al15 Al 0.99364 0.50179 0.50329 1.00000
  Al16 Al 0.49455 0.00140 0.00370 1.00000
  Zn1 Zn 0.32157 0.32157 0.67857 1.00000
  Zn2 Zn 0.82135 0.82135 0.17859 1.00000
  Zn3 Zn 0.17866 0.17866 0.82182 1.00000
  Zn4 Zn 0.67847 0.67847 0.32103 1.00000
  Zn5 Zn 0.82088 0.82088 0.82133 1.00000
  Zn6 Zn 0.32239 0.32239 0.32182 1.00000

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