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AcNdSn2

Alexandria ALEX

Alex-ID: agm005771509 · Space group: Pmc2_1 (#26)

Alexandria Database API

Basic Information

Formula
AcNdSn2
Alex-ID
agm005771509
Elements
3
Sites
8
Space group
Pmc2_1 (#26)
Crystal system
orthorhombic
Volume
263.65
ų
Cell a
4.4963
Å
Cell b
6.5306
Å
Cell c
8.9788
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AcNdSn2
Ac
2.00 · 25.0%
Nd
2.00 · 25.0%
Sn
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0405
eV/atom
Formation energy
-0.7170
eV/atom
Corrected total energy
-39.5092
eV
Raw total energy
-39.5092
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0015
eV
DOS at Fermi level
6.4850
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_538_spg26

Decomposition

Ac3Sn4 Ac2Nd3Sn4 NdSn

Computed at

2023-07-13 13:32:48.740707

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: agm005771509).

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 agm005771509
data_agm005771509
_cell_length_a     4.49633
_cell_length_b     6.53057
_cell_length_c     8.97877
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       263.64903
_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 0.37046 0.31867 1.00000
  Ac2 Ac 0.50000 0.62954 0.81867 1.00000
  Nd1 Nd 0.00000 0.13026 0.68274 1.00000
  Nd2 Nd 0.00000 0.86974 0.18274 1.00000
  Sn1 Sn 0.00000 0.61085 0.53934 1.00000
  Sn2 Sn 0.00000 0.38915 0.03934 1.00000
  Sn3 Sn 0.50000 0.90303 0.45925 1.00000
  Sn4 Sn 0.50000 0.09697 0.95925 1.00000
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