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Rb(Ac2Mg)4

Alexandria ALEX

Alex-ID: agm097944883 · Space group: Cm (#8)

Basic Information

Formula
Rb(Ac2Mg)4
Alex-ID
agm097944883
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
530.46
ų
Cell a
3.8991
Å
Cell b
12.5719
Å
Cell c
12.2626
Å
α angle
63.64
°
β angle
89.99
°
γ angle
98.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb(Ac2Mg)4
Rb
1.00 · 7.7%
Ac
8.00 · 61.5%
Mg
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1702
eV/atom
Formation energy
0.1143
eV/atom
Corrected total energy
-38.7280
eV
Raw total energy
-38.7280
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.7545
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_857_spg1

Decomposition

Rb AcMg2 Ac

Computed at

2025-06-16 18:04:30

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: agm097944883).

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 agm097944883
data_agm097944883
_cell_length_a     3.89915
_cell_length_b     12.57187
_cell_length_c     12.26258
_cell_angle_alpha  63.63635
_cell_angle_beta   89.99354
_cell_angle_gamma  98.91926
_cell_volume       530.45743
_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
  Rb1 Rb 0.56003 0.04272 0.83053 1.00000
  Ac1 Ac 0.11707 0.15467 0.08643 1.00000
  Ac2 Ac 0.32432 0.57184 0.23531 1.00000
  Ac3 Ac 0.38796 0.69986 0.68206 1.00000
  Ac4 Ac 0.21066 0.34610 0.54750 1.00000
  Ac5 Ac 0.49640 0.91369 0.35280 1.00000
  Ac6 Ac 0.66309 0.24960 0.31637 1.00000
  Ac7 Ac 0.73516 0.39558 0.80263 1.00000
  Ac8 Ac 0.89528 0.71738 0.93873 1.00000
  Mg1 Mg 0.95891 0.83611 0.15587 1.00000
  Mg2 Mg 0.26424 0.45692 0.01909 1.00000
  Mg3 Mg 0.85259 0.62701 0.46516 1.00000
  Mg4 Mg 0.03430 0.98853 0.56752 1.00000
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