Navigation

HEAS Data Platform · Materials Science Database

Ac8Tb4Np

Alexandria ALEX

Alex-ID: agm098117948 · Space group: Pm (#6)

Basic Information

Formula
Ac8Tb4Np
Alex-ID
agm098117948
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
511.64
ų
Cell a
3.7972
Å
Cell b
11.9168
Å
Cell c
12.9586
Å
α angle
60.75
°
β angle
90.01
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Tb4Np
Ac
8.00 · 61.5%
Tb
4.00 · 30.8%
Np
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1916
eV/atom
Formation energy
0.1916
eV/atom
Corrected total energy
-61.8472
eV
Raw total energy
-61.8472
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
28.8716
Total magnetisation
5.2806
μB

Additional Information

Prototype ID

AB4C8_1348_spg8

Decomposition

Ac Tb Np

Computed at

2025-06-19 16:59:17

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: agm098117948).

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 agm098117948
data_agm098117948
_cell_length_a     3.79718
_cell_length_b     11.91676
_cell_length_c     12.95865
_cell_angle_alpha  60.75428
_cell_angle_beta   90.01422
_cell_angle_gamma  90.00870
_cell_volume       511.63548
_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 0.07566 0.13040 0.22103 1.00000
  Ac2 Ac 0.57718 0.69554 0.08522 1.00000
  Ac3 Ac 0.07728 0.54406 0.68795 1.00000
  Ac4 Ac 0.57785 0.30136 0.61355 1.00000
  Ac5 Ac 0.57611 0.84399 0.45424 1.00000
  Ac6 Ac 0.57646 0.35646 0.30489 1.00000
  Ac7 Ac 0.57688 0.24947 0.92904 1.00000
  Ac8 Ac 0.57855 0.77956 0.77277 1.00000
  Tb1 Tb 0.07720 0.00362 0.87171 1.00000
  Tb2 Tb 0.07770 0.47952 0.00318 1.00000
  Tb3 Tb 0.07628 0.62794 0.36197 1.00000
  Tb4 Tb 0.07747 0.06599 0.54558 1.00000
  Np1 Np 0.57537 0.92209 0.14886 1.00000
Get direct link