Navigation

HEAS Data Platform · Materials Science Database

Ac2MgSnGe

Alexandria ALEX

Alex-ID: agm005000581 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Ac2MgSnGe
Alex-ID
agm005000581
Elements
4
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
317.19
ų
Cell a
4.9006
Å
Cell b
7.9309
Å
Cell c
8.2744
Å
α angle
99.49
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2MgSnGe
Ac
4.00 · 40.0%
Mg
2.00 · 20.0%
Sn
2.00 · 20.0%
Ge
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0643
eV/atom
Formation energy
-0.5814
eV/atom
Corrected total energy
-42.6778
eV
Raw total energy
-42.6778
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0049
eV
DOS at Fermi level
1.8542
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_1570_spg11

Decomposition

Ac2MgGe2 Ac2MgSn2

Computed at

2022-07-04 14:08:45.221355

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: agm005000581).

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 agm005000581
data_agm005000581
_cell_length_a     4.90055
_cell_length_b     7.93088
_cell_length_c     8.27444
_cell_angle_alpha  99.48567
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       317.19496
_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 0.75000 0.86697 0.57441 1.00000
  Ac2 Ac 0.75000 0.74945 0.02577 1.00000
  Ac3 Ac 0.25000 0.13303 0.42559 1.00000
  Ac4 Ac 0.25000 0.25055 0.97423 1.00000
  Mg1 Mg 0.25000 0.55293 0.65066 1.00000
  Mg2 Mg 0.75000 0.44707 0.34934 1.00000
  Sn1 Sn 0.25000 0.64447 0.29700 1.00000
  Sn2 Sn 0.75000 0.35553 0.70300 1.00000
  Ge1 Ge 0.25000 0.87423 0.80710 1.00000
  Ge2 Ge 0.75000 0.12577 0.19290 1.00000
Get direct link