Navigation

HEAS Data Platform · Materials Science Database

Ac8Nd4Tm

Alexandria ALEX

Alex-ID: agm098063602 · Space group: Cm (#8)

Basic Information

Formula
Ac8Nd4Tm
Alex-ID
agm098063602
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
531.85
ų
Cell a
3.8532
Å
Cell b
12.4614
Å
Cell c
12.7363
Å
α angle
61.98
°
β angle
81.28
°
γ angle
90.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Nd4Tm
Ac
8.00 · 61.5%
Nd
4.00 · 30.8%
Tm
1.00 · 7.7%

Energy & Stability

Energy above hull
0.0542
eV/atom
Formation energy
0.0538
eV/atom
Corrected total energy
-55.7291
eV
Raw total energy
-55.7291
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.6682
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_799_spg65

Decomposition

NdTm2 Ac Nd

Computed at

2025-06-17 03:14:53

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: agm098063602).

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 agm098063602
data_agm098063602
_cell_length_a     3.85321
_cell_length_b     12.46139
_cell_length_c     12.73631
_cell_angle_alpha  61.98049
_cell_angle_beta   81.28389
_cell_angle_gamma  90.01222
_cell_volume       531.84615
_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 0.96376 0.27503 0.14800 1.00000
  Ac2 Ac 0.42457 0.54623 0.22739 1.00000
  Ac3 Ac 0.23370 0.68276 0.61040 1.00000
  Ac4 Ac 0.15477 0.16642 0.76740 1.00000
  Ac5 Ac 0.88776 0.79897 0.30238 1.00000
  Ac6 Ac 0.80708 0.23584 0.46103 1.00000
  Ac7 Ac 0.61393 0.39863 0.84840 1.00000
  Ac8 Ac 0.68268 0.90192 0.71221 1.00000
  Nd1 Nd 0.03994 0.84526 0.99826 1.00000
  Nd2 Nd 0.06964 0.60583 0.93691 1.00000
  Nd3 Nd 0.77346 0.47144 0.53210 1.00000
  Nd4 Nd 0.34266 0.01314 0.38975 1.00000
  Tm1 Tm 0.50606 0.05853 0.06577 1.00000
Get direct link