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Ac8Tm4Np

Alexandria ALEX

Alex-ID: agm097638486 · Space group: Cm (#8)

Basic Information

Formula
Ac8Tm4Np
Alex-ID
agm097638486
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
505.29
ų
Cell a
3.7833
Å
Cell b
12.5310
Å
Cell c
12.2757
Å
α angle
61.80
°
β angle
90.02
°
γ angle
81.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Tm4Np
Ac
8.00 · 61.5%
Tm
4.00 · 30.8%
Np
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1962
eV/atom
Formation energy
0.1962
eV/atom
Corrected total energy
-61.1434
eV
Raw total energy
-61.1434
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0018
eV
DOS at Fermi level
29.4591
Total magnetisation
5.1905
μB

Additional Information

Prototype ID

AB4C8_1845_spg8

Decomposition

Ac Tm Np

Computed at

2025-06-22 19:42:20

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: agm097638486).

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 agm097638486
data_agm097638486
_cell_length_a     3.78325
_cell_length_b     12.53102
_cell_length_c     12.27574
_cell_angle_alpha  61.79869
_cell_angle_beta   90.01550
_cell_angle_gamma  81.31856
_cell_volume       505.29273
_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 0.96400 0.14928 0.26347 1.00000
  Ac2 Ac 0.15492 0.76565 0.17179 1.00000
  Ac3 Ac 0.23326 0.61055 0.68091 1.00000
  Ac4 Ac 0.42714 0.22254 0.55109 1.00000
  Ac5 Ac 0.61359 0.84905 0.40088 1.00000
  Ac6 Ac 0.80884 0.45892 0.23488 1.00000
  Ac7 Ac 0.88721 0.30231 0.80447 1.00000
  Ac8 Ac 0.67886 0.71985 0.89689 1.00000
  Tm1 Tm 0.03862 0.00099 0.84700 1.00000
  Tm2 Tm 0.34171 0.39326 0.00995 1.00000
  Tm3 Tm 0.77420 0.52807 0.47490 1.00000
  Tm4 Tm 0.07011 0.93660 0.60613 1.00000
  Np1 Np 0.50754 0.06292 0.05764 1.00000
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