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Ac4MgPt2

Alexandria ALEX

Alex-ID: agm096782008 · Space group: Amm2 (#38)

Basic Information

Formula
Ac4MgPt2
Alex-ID
agm096782008
Elements
3
Sites
7
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
252.78
ų
Cell a
5.2127
Å
Cell b
4.1848
Å
Cell c
11.8771
Å
α angle
90.03
°
β angle
77.33
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac4MgPt2
Ac
4.00 · 57.1%
Mg
1.00 · 14.3%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1326
eV/atom
Formation energy
-0.5926
eV/atom
Corrected total energy
-34.3528
eV
Raw total energy
-34.3528
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0280
eV
DOS at Fermi level
4.4947
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_1895_spg2

Decomposition

AcMgPt Ac7Pt3 AcMg2

Computed at

2025-04-10 22:46:22

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: agm096782008).

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 agm096782008
data_agm096782008
_cell_length_a     5.21268
_cell_length_b     4.18484
_cell_length_c     11.87711
_cell_angle_alpha  90.03393
_cell_angle_beta   77.33243
_cell_angle_gamma  89.99443
_cell_volume       252.78314
_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 0.05589 0.49945 0.81695 1.00000
  Ac2 Ac 0.28234 0.00076 0.36328 1.00000
  Ac3 Ac 0.66696 0.99936 0.59391 1.00000
  Ac4 Ac 0.87830 0.50022 0.17205 1.00000
  Mg1 Mg 0.46361 0.00004 0.00250 1.00000
  Pt1 Pt 0.96694 0.99979 0.99572 1.00000
  Pt2 Pt 0.18595 0.50039 0.55560 1.00000
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